Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 17:58:11 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./PdF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 105 45 13 3351 947 153 Max 106 46 14 3354 966 156 Sum 3801 1649 489 120679 34431 5585 bravais-lattice index = 14 lattice parameter (alat) = 9.3655 a.u. unit-cell volume = 561.7339 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 64.00 number of Kohn-Sham states= 76 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 545.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.365482 celldm(2)= 1.000000 celldm(3)= 0.683818 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 0.683818 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 1.462378 ) PseudoPot. # 1 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pd read from file: /users/gautes/Pseudo/Pd.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 7926b04c0aa9b348bf6cb39d90ce6236 Pseudo is Ultrasoft + core correction, Zval = 18.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1235 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Pd 18.00 106.42000 Pd( 1.00) 16 Sym. Ops., with inversion, found ( 8 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3419088 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3419088 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3419088 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3419088 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3419088 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3419088 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( -0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3419088 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3419088 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 368 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0000000 0.0156250 -0.0000000), wk = 0.0027174 k( 3) = ( 0.0000000 0.0312500 -0.0000000), wk = 0.0027174 k( 4) = ( 0.0000000 0.0468750 -0.0000000), wk = 0.0027174 k( 5) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027174 k( 6) = ( 0.0000000 0.0781250 -0.0000000), wk = 0.0027174 k( 7) = ( 0.0000000 0.0937500 -0.0000000), wk = 0.0027174 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027174 k( 10) = ( 0.0000000 0.1406250 -0.0000000), wk = 0.0027174 k( 11) = ( 0.0000000 0.1562500 -0.0000000), wk = 0.0027174 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0027174 k( 13) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027174 k( 14) = ( 0.0000000 0.2031250 -0.0000000), wk = 0.0027174 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0027174 k( 16) = ( 0.0000000 0.2343750 -0.0000000), wk = 0.0027174 k( 17) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027174 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0027174 k( 19) = ( 0.0000000 0.2812500 -0.0000000), wk = 0.0027174 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0027174 k( 21) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027174 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0027174 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0027174 k( 24) = ( 0.0000000 0.3593750 -0.0000000), wk = 0.0027174 k( 25) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027174 k( 26) = ( 0.0000000 0.3906250 -0.0000000), wk = 0.0027174 k( 27) = ( 0.0000000 0.4062500 -0.0000000), wk = 0.0027174 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0027174 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027174 k( 30) = ( 0.0000000 0.4531250 -0.0000000), wk = 0.0027174 k( 31) = ( 0.0000000 0.4687500 -0.0000000), wk = 0.0027174 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0027174 k( 33) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 34) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 35) = ( 0.0156250 0.5000000 -0.0000000), wk = 0.0027174 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0027174 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0027174 k( 38) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027174 k( 39) = ( 0.0781250 0.5000000 -0.0000000), wk = 0.0027174 k( 40) = ( 0.0937500 0.5000000 -0.0000000), wk = 0.0027174 k( 41) = ( 0.1093750 0.5000000 -0.0000000), wk = 0.0027174 k( 42) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027174 k( 43) = ( 0.1406250 0.5000000 -0.0000000), wk = 0.0027174 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0027174 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0027174 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027174 k( 47) = ( 0.2031250 0.5000000 -0.0000000), wk = 0.0027174 k( 48) = ( 0.2187500 0.5000000 -0.0000000), wk = 0.0027174 k( 49) = ( 0.2343750 0.5000000 -0.0000000), wk = 0.0027174 k( 50) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027174 k( 51) = ( 0.2656250 0.5000000 -0.0000000), wk = 0.0027174 k( 52) = ( 0.2812500 0.5000000 -0.0000000), wk = 0.0027174 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0027174 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027174 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0027174 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0027174 k( 57) = ( 0.3593750 0.5000000 -0.0000000), wk = 0.0027174 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027174 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0027174 k( 60) = ( 0.4062500 0.5000000 -0.0000000), wk = 0.0027174 k( 61) = ( 0.4218750 0.5000000 -0.0000000), wk = 0.0027174 k( 62) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027174 k( 63) = ( 0.4531250 0.5000000 -0.0000000), wk = 0.0027174 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0027174 k( 65) = ( 0.4843750 0.5000000 -0.0000000), wk = 0.0027174 k( 66) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 67) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 68) = ( 0.4888889 0.4888889 -0.0000000), wk = 0.0027174 k( 69) = ( 0.4777778 0.4777778 -0.0000000), wk = 0.0027174 k( 70) = ( 0.4666667 0.4666667 -0.0000000), wk = 0.0027174 k( 71) = ( 0.4555556 0.4555556 -0.0000000), wk = 0.0027174 k( 72) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0027174 k( 73) = ( 0.4333333 0.4333333 -0.0000000), wk = 0.0027174 k( 74) = ( 0.4222222 0.4222222 -0.0000000), wk = 0.0027174 k( 75) = ( 0.4111111 0.4111111 -0.0000000), wk = 0.0027174 k( 76) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0027174 k( 77) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0027174 k( 78) = ( 0.3777778 0.3777778 -0.0000000), wk = 0.0027174 k( 79) = ( 0.3666667 0.3666667 -0.0000000), wk = 0.0027174 k( 80) = ( 0.3555556 0.3555556 -0.0000000), wk = 0.0027174 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0027174 k( 83) = ( 0.3222222 0.3222222 -0.0000000), wk = 0.0027174 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0027174 k( 85) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0027174 k( 86) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0027174 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0027174 k( 89) = ( 0.2555556 0.2555556 -0.0000000), wk = 0.0027174 k( 90) = ( 0.2444444 0.2444444 -0.0000000), wk = 0.0027174 k( 91) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0027174 k( 92) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0027174 k( 93) = ( 0.2111111 0.2111111 -0.0000000), wk = 0.0027174 k( 94) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0027174 k( 95) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0027174 k( 96) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0027174 k( 97) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0027174 k( 98) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0027174 k( 99) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0027174 k( 100) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0027174 k( 101) = ( 0.1222222 0.1222222 -0.0000000), wk = 0.0027174 k( 102) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0027174 k( 103) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0027174 k( 104) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0027174 k( 105) = ( 0.0777778 0.0777778 -0.0000000), wk = 0.0027174 k( 106) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0027174 k( 107) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0027174 k( 108) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0027174 k( 109) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0027174 k( 110) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0027174 k( 111) = ( 0.0111111 0.0111111 -0.0000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 114) = ( 0.0000000 0.0000000 0.0155572), wk = 0.0027174 k( 115) = ( 0.0000000 0.0000000 0.0311144), wk = 0.0027174 k( 116) = ( 0.0000000 0.0000000 0.0466716), wk = 0.0027174 k( 117) = ( 0.0000000 0.0000000 0.0622289), wk = 0.0027174 k( 118) = ( 0.0000000 0.0000000 0.0777861), wk = 0.0027174 k( 119) = ( 0.0000000 0.0000000 0.0933433), wk = 0.0027174 k( 120) = ( 0.0000000 0.0000000 0.1089005), wk = 0.0027174 k( 121) = ( 0.0000000 0.0000000 0.1244577), wk = 0.0027174 k( 122) = ( 0.0000000 0.0000000 0.1400149), wk = 0.0027174 k( 123) = ( 0.0000000 0.0000000 0.1555722), wk = 0.0027174 k( 124) = ( 0.0000000 0.0000000 0.1711294), wk = 0.0027174 k( 125) = ( 0.0000000 0.0000000 0.1866866), wk = 0.0027174 k( 126) = ( 0.0000000 0.0000000 0.2022438), wk = 0.0027174 k( 127) = ( 0.0000000 0.0000000 0.2178010), wk = 0.0027174 k( 128) = ( 0.0000000 0.0000000 0.2333582), wk = 0.0027174 k( 129) = ( 0.0000000 0.0000000 0.2489155), wk = 0.0027174 k( 130) = ( 0.0000000 0.0000000 0.2644727), wk = 0.0027174 k( 131) = ( 0.0000000 0.0000000 0.2800299), wk = 0.0027174 k( 132) = ( 0.0000000 0.0000000 0.2955871), wk = 0.0027174 k( 133) = ( 0.0000000 0.0000000 0.3111443), wk = 0.0027174 k( 134) = ( 0.0000000 0.0000000 0.3267015), wk = 0.0027174 k( 135) = ( 0.0000000 0.0000000 0.3422587), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.3578160), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.3733732), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.3889304), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.4044876), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.4200448), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.4356020), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.4511593), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.4667165), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.4822737), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.4978309), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.5133881), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.5289453), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.5445026), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.5600598), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.5756170), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.5911742), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.6067314), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.6222886), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.6378458), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.6534031), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.6689603), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.6845175), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.7000747), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.7156319), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.7311891), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.7311891), wk = 0.0027174 k( 162) = ( 0.0000000 0.0156250 0.7311891), wk = 0.0027174 k( 163) = ( 0.0000000 0.0312500 0.7311891), wk = 0.0027174 k( 164) = ( 0.0000000 0.0468750 0.7311891), wk = 0.0027174 k( 165) = ( 0.0000000 0.0625000 0.7311891), wk = 0.0027174 k( 166) = ( 0.0000000 0.0781250 0.7311891), wk = 0.0027174 k( 167) = ( 0.0000000 0.0937500 0.7311891), wk = 0.0027174 k( 168) = ( 0.0000000 0.1093750 0.7311891), wk = 0.0027174 k( 169) = ( 0.0000000 0.1250000 0.7311891), wk = 0.0027174 k( 170) = ( 0.0000000 0.1406250 0.7311891), wk = 0.0027174 k( 171) = ( 0.0000000 0.1562500 0.7311891), wk = 0.0027174 k( 172) = ( 0.0000000 0.1718750 0.7311891), wk = 0.0027174 k( 173) = ( 0.0000000 0.1875000 0.7311891), wk = 0.0027174 k( 174) = ( 0.0000000 0.2031250 0.7311891), wk = 0.0027174 k( 175) = ( 0.0000000 0.2187500 0.7311891), wk = 0.0027174 k( 176) = ( 0.0000000 0.2343750 0.7311891), wk = 0.0027174 k( 177) = ( 0.0000000 0.2500000 0.7311891), wk = 0.0027174 k( 178) = ( 0.0000000 0.2656250 0.7311891), wk = 0.0027174 k( 179) = ( 0.0000000 0.2812500 0.7311891), wk = 0.0027174 k( 180) = ( 0.0000000 0.2968750 0.7311891), wk = 0.0027174 k( 181) = ( 0.0000000 0.3125000 0.7311891), wk = 0.0027174 k( 182) = ( 0.0000000 0.3281250 0.7311891), wk = 0.0027174 k( 183) = ( 0.0000000 0.3437500 0.7311891), wk = 0.0027174 k( 184) = ( 0.0000000 0.3593750 0.7311891), wk = 0.0027174 k( 185) = ( 0.0000000 0.3750000 0.7311891), wk = 0.0027174 k( 186) = ( 0.0000000 0.3906250 0.7311891), wk = 0.0027174 k( 187) = ( 0.0000000 0.4062500 0.7311891), wk = 0.0027174 k( 188) = ( 0.0000000 0.4218750 0.7311891), wk = 0.0027174 k( 189) = ( 0.0000000 0.4375000 0.7311891), wk = 0.0027174 k( 190) = ( 0.0000000 0.4531250 0.7311891), wk = 0.0027174 k( 191) = ( 0.0000000 0.4687500 0.7311891), wk = 0.0027174 k( 192) = ( 0.0000000 0.4843750 0.7311891), wk = 0.0027174 k( 193) = ( 0.0000000 0.5000000 0.7311891), wk = 0.0027174 k( 194) = ( 0.0000000 0.5000000 0.7311891), wk = 0.0027174 k( 195) = ( 0.0156250 0.5000000 0.7311891), wk = 0.0027174 k( 196) = ( 0.0312500 0.5000000 0.7311891), wk = 0.0027174 k( 197) = ( 0.0468750 0.5000000 0.7311891), wk = 0.0027174 k( 198) = ( 0.0625000 0.5000000 0.7311891), wk = 0.0027174 k( 199) = ( 0.0781250 0.5000000 0.7311891), wk = 0.0027174 k( 200) = ( 0.0937500 0.5000000 0.7311891), wk = 0.0027174 k( 201) = ( 0.1093750 0.5000000 0.7311891), wk = 0.0027174 k( 202) = ( 0.1250000 0.5000000 0.7311891), wk = 0.0027174 k( 203) = ( 0.1406250 0.5000000 0.7311891), wk = 0.0027174 k( 204) = ( 0.1562500 0.5000000 0.7311891), wk = 0.0027174 k( 205) = ( 0.1718750 0.5000000 0.7311891), wk = 0.0027174 k( 206) = ( 0.1875000 0.5000000 0.7311891), wk = 0.0027174 k( 207) = ( 0.2031250 0.5000000 0.7311891), wk = 0.0027174 k( 208) = ( 0.2187500 0.5000000 0.7311891), wk = 0.0027174 k( 209) = ( 0.2343750 0.5000000 0.7311891), wk = 0.0027174 k( 210) = ( 0.2500000 0.5000000 0.7311891), wk = 0.0027174 k( 211) = ( 0.2656250 0.5000000 0.7311891), wk = 0.0027174 k( 212) = ( 0.2812500 0.5000000 0.7311891), wk = 0.0027174 k( 213) = ( 0.2968750 0.5000000 0.7311891), wk = 0.0027174 k( 214) = ( 0.3125000 0.5000000 0.7311891), wk = 0.0027174 k( 215) = ( 0.3281250 0.5000000 0.7311891), wk = 0.0027174 k( 216) = ( 0.3437500 0.5000000 0.7311891), wk = 0.0027174 k( 217) = ( 0.3593750 0.5000000 0.7311891), wk = 0.0027174 k( 218) = ( 0.3750000 0.5000000 0.7311891), wk = 0.0027174 k( 219) = ( 0.3906250 0.5000000 0.7311891), wk = 0.0027174 k( 220) = ( 0.4062500 0.5000000 0.7311891), wk = 0.0027174 k( 221) = ( 0.4218750 0.5000000 0.7311891), wk = 0.0027174 k( 222) = ( 0.4375000 0.5000000 0.7311891), wk = 0.0027174 k( 223) = ( 0.4531250 0.5000000 0.7311891), wk = 0.0027174 k( 224) = ( 0.4687500 0.5000000 0.7311891), wk = 0.0027174 k( 225) = ( 0.4843750 0.5000000 0.7311891), wk = 0.0027174 k( 226) = ( 0.5000000 0.5000000 0.7311891), wk = 0.0027174 k( 227) = ( 0.5000000 0.5000000 0.7311891), wk = 0.0027174 k( 228) = ( 0.4888889 0.4888889 0.7311891), wk = 0.0027174 k( 229) = ( 0.4777778 0.4777778 0.7311891), wk = 0.0027174 k( 230) = ( 0.4666667 0.4666667 0.7311891), wk = 0.0027174 k( 231) = ( 0.4555556 0.4555556 0.7311891), wk = 0.0027174 k( 232) = ( 0.4444444 0.4444444 0.7311891), wk = 0.0027174 k( 233) = ( 0.4333333 0.4333333 0.7311891), wk = 0.0027174 k( 234) = ( 0.4222222 0.4222222 0.7311891), wk = 0.0027174 k( 235) = ( 0.4111111 0.4111111 0.7311891), wk = 0.0027174 k( 236) = ( 0.4000000 0.4000000 0.7311891), wk = 0.0027174 k( 237) = ( 0.3888889 0.3888889 0.7311891), wk = 0.0027174 k( 238) = ( 0.3777778 0.3777778 0.7311891), wk = 0.0027174 k( 239) = ( 0.3666667 0.3666667 0.7311891), wk = 0.0027174 k( 240) = ( 0.3555556 0.3555556 0.7311891), wk = 0.0027174 k( 241) = ( 0.3444444 0.3444444 0.7311891), wk = 0.0027174 k( 242) = ( 0.3333333 0.3333333 0.7311891), wk = 0.0027174 k( 243) = ( 0.3222222 0.3222222 0.7311891), wk = 0.0027174 k( 244) = ( 0.3111111 0.3111111 0.7311891), wk = 0.0027174 k( 245) = ( 0.3000000 0.3000000 0.7311891), wk = 0.0027174 k( 246) = ( 0.2888889 0.2888889 0.7311891), wk = 0.0027174 k( 247) = ( 0.2777778 0.2777778 0.7311891), wk = 0.0027174 k( 248) = ( 0.2666667 0.2666667 0.7311891), wk = 0.0027174 k( 249) = ( 0.2555556 0.2555556 0.7311891), wk = 0.0027174 k( 250) = ( 0.2444444 0.2444444 0.7311891), wk = 0.0027174 k( 251) = ( 0.2333333 0.2333333 0.7311891), wk = 0.0027174 k( 252) = ( 0.2222222 0.2222222 0.7311891), wk = 0.0027174 k( 253) = ( 0.2111111 0.2111111 0.7311891), wk = 0.0027174 k( 254) = ( 0.2000000 0.2000000 0.7311891), wk = 0.0027174 k( 255) = ( 0.1888889 0.1888889 0.7311891), wk = 0.0027174 k( 256) = ( 0.1777778 0.1777778 0.7311891), wk = 0.0027174 k( 257) = ( 0.1666667 0.1666667 0.7311891), wk = 0.0027174 k( 258) = ( 0.1555556 0.1555556 0.7311891), wk = 0.0027174 k( 259) = ( 0.1444444 0.1444444 0.7311891), wk = 0.0027174 k( 260) = ( 0.1333333 0.1333333 0.7311891), wk = 0.0027174 k( 261) = ( 0.1222222 0.1222222 0.7311891), wk = 0.0027174 k( 262) = ( 0.1111111 0.1111111 0.7311891), wk = 0.0027174 k( 263) = ( 0.1000000 0.1000000 0.7311891), wk = 0.0027174 k( 264) = ( 0.0888889 0.0888889 0.7311891), wk = 0.0027174 k( 265) = ( 0.0777778 0.0777778 0.7311891), wk = 0.0027174 k( 266) = ( 0.0666667 0.0666667 0.7311891), wk = 0.0027174 k( 267) = ( 0.0555556 0.0555556 0.7311891), wk = 0.0027174 k( 268) = ( 0.0444444 0.0444444 0.7311891), wk = 0.0027174 k( 269) = ( 0.0333333 0.0333333 0.7311891), wk = 0.0027174 k( 270) = ( 0.0222222 0.0222222 0.7311891), wk = 0.0027174 k( 271) = ( 0.0111111 0.0111111 0.7311891), wk = 0.0027174 k( 272) = ( 0.0000000 0.0000000 0.7311891), wk = 0.0027174 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027174 k( 274) = ( 0.0000000 0.5000000 0.0155572), wk = 0.0027174 k( 275) = ( 0.0000000 0.5000000 0.0311144), wk = 0.0027174 k( 276) = ( 0.0000000 0.5000000 0.0466716), wk = 0.0027174 k( 277) = ( 0.0000000 0.5000000 0.0622289), wk = 0.0027174 k( 278) = ( 0.0000000 0.5000000 0.0777861), wk = 0.0027174 k( 279) = ( 0.0000000 0.5000000 0.0933433), wk = 0.0027174 k( 280) = ( 0.0000000 0.5000000 0.1089005), wk = 0.0027174 k( 281) = ( 0.0000000 0.5000000 0.1244577), wk = 0.0027174 k( 282) = ( 0.0000000 0.5000000 0.1400149), wk = 0.0027174 k( 283) = ( 0.0000000 0.5000000 0.1555722), wk = 0.0027174 k( 284) = ( 0.0000000 0.5000000 0.1711294), wk = 0.0027174 k( 285) = ( 0.0000000 0.5000000 0.1866866), wk = 0.0027174 k( 286) = ( 0.0000000 0.5000000 0.2022438), wk = 0.0027174 k( 287) = ( 0.0000000 0.5000000 0.2178010), wk = 0.0027174 k( 288) = ( 0.0000000 0.5000000 0.2333582), wk = 0.0027174 k( 289) = ( 0.0000000 0.5000000 0.2489155), wk = 0.0027174 k( 290) = ( 0.0000000 0.5000000 0.2644727), wk = 0.0027174 k( 291) = ( 0.0000000 0.5000000 0.2800299), wk = 0.0027174 k( 292) = ( 0.0000000 0.5000000 0.2955871), wk = 0.0027174 k( 293) = ( 0.0000000 0.5000000 0.3111443), wk = 0.0027174 k( 294) = ( 0.0000000 0.5000000 0.3267015), wk = 0.0027174 k( 295) = ( 0.0000000 0.5000000 0.3422587), wk = 0.0027174 k( 296) = ( 0.0000000 0.5000000 0.3578160), wk = 0.0027174 k( 297) = ( 0.0000000 0.5000000 0.3733732), wk = 0.0027174 k( 298) = ( 0.0000000 0.5000000 0.3889304), wk = 0.0027174 k( 299) = ( 0.0000000 0.5000000 0.4044876), wk = 0.0027174 k( 300) = ( 0.0000000 0.5000000 0.4200448), wk = 0.0027174 k( 301) = ( 0.0000000 0.5000000 0.4356020), wk = 0.0027174 k( 302) = ( 0.0000000 0.5000000 0.4511593), wk = 0.0027174 k( 303) = ( 0.0000000 0.5000000 0.4667165), wk = 0.0027174 k( 304) = ( 0.0000000 0.5000000 0.4822737), wk = 0.0027174 k( 305) = ( 0.0000000 0.5000000 0.4978309), wk = 0.0027174 k( 306) = ( 0.0000000 0.5000000 0.5133881), wk = 0.0027174 k( 307) = ( 0.0000000 0.5000000 0.5289453), wk = 0.0027174 k( 308) = ( 0.0000000 0.5000000 0.5445026), wk = 0.0027174 k( 309) = ( 0.0000000 0.5000000 0.5600598), wk = 0.0027174 k( 310) = ( 0.0000000 0.5000000 0.5756170), wk = 0.0027174 k( 311) = ( 0.0000000 0.5000000 0.5911742), wk = 0.0027174 k( 312) = ( 0.0000000 0.5000000 0.6067314), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 0.6222886), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.6378458), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.6534031), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.6689603), wk = 0.0027174 k( 317) = ( 0.0000000 0.5000000 0.6845175), wk = 0.0027174 k( 318) = ( 0.0000000 0.5000000 0.7000747), wk = 0.0027174 k( 319) = ( 0.0000000 0.5000000 0.7156319), wk = 0.0027174 k( 320) = ( 0.0000000 0.5000000 0.7311891), wk = 0.0027174 k( 321) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027174 k( 322) = ( 0.5000000 0.5000000 0.0155572), wk = 0.0027174 k( 323) = ( 0.5000000 0.5000000 0.0311144), wk = 0.0027174 k( 324) = ( 0.5000000 0.5000000 0.0466716), wk = 0.0027174 k( 325) = ( 0.5000000 0.5000000 0.0622289), wk = 0.0027174 k( 326) = ( 0.5000000 0.5000000 0.0777861), wk = 0.0027174 k( 327) = ( 0.5000000 0.5000000 0.0933433), wk = 0.0027174 k( 328) = ( 0.5000000 0.5000000 0.1089005), wk = 0.0027174 k( 329) = ( 0.5000000 0.5000000 0.1244577), wk = 0.0027174 k( 330) = ( 0.5000000 0.5000000 0.1400149), wk = 0.0027174 k( 331) = ( 0.5000000 0.5000000 0.1555722), wk = 0.0027174 k( 332) = ( 0.5000000 0.5000000 0.1711294), wk = 0.0027174 k( 333) = ( 0.5000000 0.5000000 0.1866866), wk = 0.0027174 k( 334) = ( 0.5000000 0.5000000 0.2022438), wk = 0.0027174 k( 335) = ( 0.5000000 0.5000000 0.2178010), wk = 0.0027174 k( 336) = ( 0.5000000 0.5000000 0.2333582), wk = 0.0027174 k( 337) = ( 0.5000000 0.5000000 0.2489155), wk = 0.0027174 k( 338) = ( 0.5000000 0.5000000 0.2644727), wk = 0.0027174 k( 339) = ( 0.5000000 0.5000000 0.2800299), wk = 0.0027174 k( 340) = ( 0.5000000 0.5000000 0.2955871), wk = 0.0027174 k( 341) = ( 0.5000000 0.5000000 0.3111443), wk = 0.0027174 k( 342) = ( 0.5000000 0.5000000 0.3267015), wk = 0.0027174 k( 343) = ( 0.5000000 0.5000000 0.3422587), wk = 0.0027174 k( 344) = ( 0.5000000 0.5000000 0.3578160), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.3733732), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.3889304), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.4044876), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.4200448), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.4356020), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.4511593), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.4667165), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.4822737), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.4978309), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.5133881), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.5289453), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.5445026), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.5600598), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.5756170), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.5911742), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.6067314), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.6222886), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.6378458), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.6534031), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.6689603), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.6845175), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.7000747), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.7156319), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.7311891), wk = 0.0027174 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 2) = ( 0.0000000 0.0156250 0.0000000), wk = 0.0027174 k( 3) = ( 0.0000000 0.0312500 0.0000000), wk = 0.0027174 k( 4) = ( 0.0000000 0.0468750 0.0000000), wk = 0.0027174 k( 5) = ( 0.0000000 0.0625000 0.0000000), wk = 0.0027174 k( 6) = ( 0.0000000 0.0781250 0.0000000), wk = 0.0027174 k( 7) = ( 0.0000000 0.0937500 0.0000000), wk = 0.0027174 k( 8) = ( 0.0000000 0.1093750 -0.0000000), wk = 0.0027174 k( 9) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0027174 k( 10) = ( 0.0000000 0.1406250 0.0000000), wk = 0.0027174 k( 11) = ( 0.0000000 0.1562500 0.0000000), wk = 0.0027174 k( 12) = ( 0.0000000 0.1718750 -0.0000000), wk = 0.0027174 k( 13) = ( 0.0000000 0.1875000 0.0000000), wk = 0.0027174 k( 14) = ( 0.0000000 0.2031250 0.0000000), wk = 0.0027174 k( 15) = ( 0.0000000 0.2187500 -0.0000000), wk = 0.0027174 k( 16) = ( 0.0000000 0.2343750 0.0000000), wk = 0.0027174 k( 17) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0027174 k( 18) = ( 0.0000000 0.2656250 -0.0000000), wk = 0.0027174 k( 19) = ( 0.0000000 0.2812500 0.0000000), wk = 0.0027174 k( 20) = ( 0.0000000 0.2968750 -0.0000000), wk = 0.0027174 k( 21) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0027174 k( 22) = ( 0.0000000 0.3281250 -0.0000000), wk = 0.0027174 k( 23) = ( 0.0000000 0.3437500 -0.0000000), wk = 0.0027174 k( 24) = ( 0.0000000 0.3593750 0.0000000), wk = 0.0027174 k( 25) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0027174 k( 26) = ( 0.0000000 0.3906250 0.0000000), wk = 0.0027174 k( 27) = ( 0.0000000 0.4062500 0.0000000), wk = 0.0027174 k( 28) = ( 0.0000000 0.4218750 -0.0000000), wk = 0.0027174 k( 29) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027174 k( 30) = ( 0.0000000 0.4531250 0.0000000), wk = 0.0027174 k( 31) = ( 0.0000000 0.4687500 0.0000000), wk = 0.0027174 k( 32) = ( 0.0000000 0.4843750 -0.0000000), wk = 0.0027174 k( 33) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 34) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 35) = ( 0.0156250 0.5000000 0.0000000), wk = 0.0027174 k( 36) = ( 0.0312500 0.5000000 -0.0000000), wk = 0.0027174 k( 37) = ( 0.0468750 0.5000000 -0.0000000), wk = 0.0027174 k( 38) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027174 k( 39) = ( 0.0781250 0.5000000 0.0000000), wk = 0.0027174 k( 40) = ( 0.0937500 0.5000000 0.0000000), wk = 0.0027174 k( 41) = ( 0.1093750 0.5000000 0.0000000), wk = 0.0027174 k( 42) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027174 k( 43) = ( 0.1406250 0.5000000 0.0000000), wk = 0.0027174 k( 44) = ( 0.1562500 0.5000000 -0.0000000), wk = 0.0027174 k( 45) = ( 0.1718750 0.5000000 -0.0000000), wk = 0.0027174 k( 46) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027174 k( 47) = ( 0.2031250 0.5000000 0.0000000), wk = 0.0027174 k( 48) = ( 0.2187500 0.5000000 0.0000000), wk = 0.0027174 k( 49) = ( 0.2343750 0.5000000 0.0000000), wk = 0.0027174 k( 50) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027174 k( 51) = ( 0.2656250 0.5000000 0.0000000), wk = 0.0027174 k( 52) = ( 0.2812500 0.5000000 0.0000000), wk = 0.0027174 k( 53) = ( 0.2968750 0.5000000 -0.0000000), wk = 0.0027174 k( 54) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027174 k( 55) = ( 0.3281250 0.5000000 -0.0000000), wk = 0.0027174 k( 56) = ( 0.3437500 0.5000000 -0.0000000), wk = 0.0027174 k( 57) = ( 0.3593750 0.5000000 0.0000000), wk = 0.0027174 k( 58) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027174 k( 59) = ( 0.3906250 0.5000000 -0.0000000), wk = 0.0027174 k( 60) = ( 0.4062500 0.5000000 0.0000000), wk = 0.0027174 k( 61) = ( 0.4218750 0.5000000 0.0000000), wk = 0.0027174 k( 62) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0027174 k( 63) = ( 0.4531250 0.5000000 0.0000000), wk = 0.0027174 k( 64) = ( 0.4687500 0.5000000 -0.0000000), wk = 0.0027174 k( 65) = ( 0.4843750 0.5000000 0.0000000), wk = 0.0027174 k( 66) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027174 k( 67) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027174 k( 68) = ( 0.4888889 0.4888889 0.0000000), wk = 0.0027174 k( 69) = ( 0.4777778 0.4777778 0.0000000), wk = 0.0027174 k( 70) = ( 0.4666667 0.4666667 0.0000000), wk = 0.0027174 k( 71) = ( 0.4555556 0.4555556 0.0000000), wk = 0.0027174 k( 72) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0027174 k( 73) = ( 0.4333333 0.4333333 0.0000000), wk = 0.0027174 k( 74) = ( 0.4222222 0.4222222 0.0000000), wk = 0.0027174 k( 75) = ( 0.4111111 0.4111111 0.0000000), wk = 0.0027174 k( 76) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0027174 k( 77) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0027174 k( 78) = ( 0.3777778 0.3777778 -0.0000000), wk = 0.0027174 k( 79) = ( 0.3666667 0.3666667 0.0000000), wk = 0.0027174 k( 80) = ( 0.3555556 0.3555556 0.0000000), wk = 0.0027174 k( 81) = ( 0.3444444 0.3444444 -0.0000000), wk = 0.0027174 k( 82) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0027174 k( 83) = ( 0.3222222 0.3222222 0.0000000), wk = 0.0027174 k( 84) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0027174 k( 85) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0027174 k( 86) = ( 0.2888889 0.2888889 0.0000000), wk = 0.0027174 k( 87) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0027174 k( 88) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0027174 k( 89) = ( 0.2555556 0.2555556 0.0000000), wk = 0.0027174 k( 90) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0027174 k( 91) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0027174 k( 92) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0027174 k( 93) = ( 0.2111111 0.2111111 0.0000000), wk = 0.0027174 k( 94) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0027174 k( 95) = ( 0.1888889 0.1888889 -0.0000000), wk = 0.0027174 k( 96) = ( 0.1777778 0.1777778 0.0000000), wk = 0.0027174 k( 97) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0027174 k( 98) = ( 0.1555556 0.1555556 0.0000000), wk = 0.0027174 k( 99) = ( 0.1444444 0.1444444 -0.0000000), wk = 0.0027174 k( 100) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0027174 k( 101) = ( 0.1222222 0.1222222 0.0000000), wk = 0.0027174 k( 102) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0027174 k( 103) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0027174 k( 104) = ( 0.0888889 0.0888889 0.0000000), wk = 0.0027174 k( 105) = ( 0.0777778 0.0777778 0.0000000), wk = 0.0027174 k( 106) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0027174 k( 107) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0027174 k( 108) = ( 0.0444444 0.0444444 0.0000000), wk = 0.0027174 k( 109) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0027174 k( 110) = ( 0.0222222 0.0222222 0.0000000), wk = 0.0027174 k( 111) = ( 0.0111111 0.0111111 0.0000000), wk = 0.0027174 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027174 k( 114) = ( 0.0000000 0.0000000 0.0106383), wk = 0.0027174 k( 115) = ( 0.0000000 0.0000000 0.0212766), wk = 0.0027174 k( 116) = ( 0.0000000 0.0000000 0.0319149), wk = 0.0027174 k( 117) = ( 0.0000000 0.0000000 0.0425532), wk = 0.0027174 k( 118) = ( 0.0000000 0.0000000 0.0531915), wk = 0.0027174 k( 119) = ( 0.0000000 0.0000000 0.0638298), wk = 0.0027174 k( 120) = ( 0.0000000 0.0000000 0.0744681), wk = 0.0027174 k( 121) = ( 0.0000000 0.0000000 0.0851064), wk = 0.0027174 k( 122) = ( 0.0000000 0.0000000 0.0957447), wk = 0.0027174 k( 123) = ( 0.0000000 0.0000000 0.1063830), wk = 0.0027174 k( 124) = ( 0.0000000 0.0000000 0.1170213), wk = 0.0027174 k( 125) = ( 0.0000000 0.0000000 0.1276596), wk = 0.0027174 k( 126) = ( 0.0000000 0.0000000 0.1382979), wk = 0.0027174 k( 127) = ( 0.0000000 0.0000000 0.1489362), wk = 0.0027174 k( 128) = ( 0.0000000 0.0000000 0.1595745), wk = 0.0027174 k( 129) = ( 0.0000000 0.0000000 0.1702128), wk = 0.0027174 k( 130) = ( 0.0000000 0.0000000 0.1808511), wk = 0.0027174 k( 131) = ( 0.0000000 0.0000000 0.1914894), wk = 0.0027174 k( 132) = ( 0.0000000 0.0000000 0.2021277), wk = 0.0027174 k( 133) = ( 0.0000000 0.0000000 0.2127660), wk = 0.0027174 k( 134) = ( 0.0000000 0.0000000 0.2234043), wk = 0.0027174 k( 135) = ( 0.0000000 0.0000000 0.2340425), wk = 0.0027174 k( 136) = ( 0.0000000 0.0000000 0.2446809), wk = 0.0027174 k( 137) = ( 0.0000000 0.0000000 0.2553191), wk = 0.0027174 k( 138) = ( 0.0000000 0.0000000 0.2659574), wk = 0.0027174 k( 139) = ( 0.0000000 0.0000000 0.2765957), wk = 0.0027174 k( 140) = ( 0.0000000 0.0000000 0.2872340), wk = 0.0027174 k( 141) = ( 0.0000000 0.0000000 0.2978723), wk = 0.0027174 k( 142) = ( 0.0000000 0.0000000 0.3085106), wk = 0.0027174 k( 143) = ( 0.0000000 0.0000000 0.3191489), wk = 0.0027174 k( 144) = ( 0.0000000 0.0000000 0.3297872), wk = 0.0027174 k( 145) = ( 0.0000000 0.0000000 0.3404255), wk = 0.0027174 k( 146) = ( 0.0000000 0.0000000 0.3510638), wk = 0.0027174 k( 147) = ( 0.0000000 0.0000000 0.3617021), wk = 0.0027174 k( 148) = ( 0.0000000 0.0000000 0.3723404), wk = 0.0027174 k( 149) = ( 0.0000000 0.0000000 0.3829787), wk = 0.0027174 k( 150) = ( 0.0000000 0.0000000 0.3936170), wk = 0.0027174 k( 151) = ( 0.0000000 0.0000000 0.4042553), wk = 0.0027174 k( 152) = ( 0.0000000 0.0000000 0.4148936), wk = 0.0027174 k( 153) = ( 0.0000000 0.0000000 0.4255319), wk = 0.0027174 k( 154) = ( 0.0000000 0.0000000 0.4361702), wk = 0.0027174 k( 155) = ( 0.0000000 0.0000000 0.4468085), wk = 0.0027174 k( 156) = ( 0.0000000 0.0000000 0.4574468), wk = 0.0027174 k( 157) = ( 0.0000000 0.0000000 0.4680851), wk = 0.0027174 k( 158) = ( 0.0000000 0.0000000 0.4787234), wk = 0.0027174 k( 159) = ( 0.0000000 0.0000000 0.4893617), wk = 0.0027174 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 161) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 162) = ( 0.0000000 0.0156250 0.5000000), wk = 0.0027174 k( 163) = ( 0.0000000 0.0312500 0.5000000), wk = 0.0027174 k( 164) = ( 0.0000000 0.0468750 0.5000000), wk = 0.0027174 k( 165) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0027174 k( 166) = ( 0.0000000 0.0781250 0.5000000), wk = 0.0027174 k( 167) = ( 0.0000000 0.0937500 0.5000000), wk = 0.0027174 k( 168) = ( 0.0000000 0.1093750 0.5000000), wk = 0.0027174 k( 169) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027174 k( 170) = ( 0.0000000 0.1406250 0.5000000), wk = 0.0027174 k( 171) = ( 0.0000000 0.1562500 0.5000000), wk = 0.0027174 k( 172) = ( 0.0000000 0.1718750 0.5000000), wk = 0.0027174 k( 173) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0027174 k( 174) = ( 0.0000000 0.2031250 0.5000000), wk = 0.0027174 k( 175) = ( 0.0000000 0.2187500 0.5000000), wk = 0.0027174 k( 176) = ( 0.0000000 0.2343750 0.5000000), wk = 0.0027174 k( 177) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027174 k( 178) = ( 0.0000000 0.2656250 0.5000000), wk = 0.0027174 k( 179) = ( 0.0000000 0.2812500 0.5000000), wk = 0.0027174 k( 180) = ( 0.0000000 0.2968750 0.5000000), wk = 0.0027174 k( 181) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0027174 k( 182) = ( 0.0000000 0.3281250 0.5000000), wk = 0.0027174 k( 183) = ( 0.0000000 0.3437500 0.5000000), wk = 0.0027174 k( 184) = ( 0.0000000 0.3593750 0.5000000), wk = 0.0027174 k( 185) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027174 k( 186) = ( 0.0000000 0.3906250 0.5000000), wk = 0.0027174 k( 187) = ( 0.0000000 0.4062500 0.5000000), wk = 0.0027174 k( 188) = ( 0.0000000 0.4218750 0.5000000), wk = 0.0027174 k( 189) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0027174 k( 190) = ( 0.0000000 0.4531250 0.5000000), wk = 0.0027174 k( 191) = ( 0.0000000 0.4687500 0.5000000), wk = 0.0027174 k( 192) = ( 0.0000000 0.4843750 0.5000000), wk = 0.0027174 k( 193) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 194) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 195) = ( 0.0156250 0.5000000 0.5000000), wk = 0.0027174 k( 196) = ( 0.0312500 0.5000000 0.5000000), wk = 0.0027174 k( 197) = ( 0.0468750 0.5000000 0.5000000), wk = 0.0027174 k( 198) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027174 k( 199) = ( 0.0781250 0.5000000 0.5000000), wk = 0.0027174 k( 200) = ( 0.0937500 0.5000000 0.5000000), wk = 0.0027174 k( 201) = ( 0.1093750 0.5000000 0.5000000), wk = 0.0027174 k( 202) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027174 k( 203) = ( 0.1406250 0.5000000 0.5000000), wk = 0.0027174 k( 204) = ( 0.1562500 0.5000000 0.5000000), wk = 0.0027174 k( 205) = ( 0.1718750 0.5000000 0.5000000), wk = 0.0027174 k( 206) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027174 k( 207) = ( 0.2031250 0.5000000 0.5000000), wk = 0.0027174 k( 208) = ( 0.2187500 0.5000000 0.5000000), wk = 0.0027174 k( 209) = ( 0.2343750 0.5000000 0.5000000), wk = 0.0027174 k( 210) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027174 k( 211) = ( 0.2656250 0.5000000 0.5000000), wk = 0.0027174 k( 212) = ( 0.2812500 0.5000000 0.5000000), wk = 0.0027174 k( 213) = ( 0.2968750 0.5000000 0.5000000), wk = 0.0027174 k( 214) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027174 k( 215) = ( 0.3281250 0.5000000 0.5000000), wk = 0.0027174 k( 216) = ( 0.3437500 0.5000000 0.5000000), wk = 0.0027174 k( 217) = ( 0.3593750 0.5000000 0.5000000), wk = 0.0027174 k( 218) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027174 k( 219) = ( 0.3906250 0.5000000 0.5000000), wk = 0.0027174 k( 220) = ( 0.4062500 0.5000000 0.5000000), wk = 0.0027174 k( 221) = ( 0.4218750 0.5000000 0.5000000), wk = 0.0027174 k( 222) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027174 k( 223) = ( 0.4531250 0.5000000 0.5000000), wk = 0.0027174 k( 224) = ( 0.4687500 0.5000000 0.5000000), wk = 0.0027174 k( 225) = ( 0.4843750 0.5000000 0.5000000), wk = 0.0027174 k( 226) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 227) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 k( 228) = ( 0.4888889 0.4888889 0.5000000), wk = 0.0027174 k( 229) = ( 0.4777778 0.4777778 0.5000000), wk = 0.0027174 k( 230) = ( 0.4666667 0.4666667 0.5000000), wk = 0.0027174 k( 231) = ( 0.4555556 0.4555556 0.5000000), wk = 0.0027174 k( 232) = ( 0.4444444 0.4444444 0.5000000), wk = 0.0027174 k( 233) = ( 0.4333333 0.4333333 0.5000000), wk = 0.0027174 k( 234) = ( 0.4222222 0.4222222 0.5000000), wk = 0.0027174 k( 235) = ( 0.4111111 0.4111111 0.5000000), wk = 0.0027174 k( 236) = ( 0.4000000 0.4000000 0.5000000), wk = 0.0027174 k( 237) = ( 0.3888889 0.3888889 0.5000000), wk = 0.0027174 k( 238) = ( 0.3777778 0.3777778 0.5000000), wk = 0.0027174 k( 239) = ( 0.3666667 0.3666667 0.5000000), wk = 0.0027174 k( 240) = ( 0.3555556 0.3555556 0.5000000), wk = 0.0027174 k( 241) = ( 0.3444444 0.3444444 0.5000000), wk = 0.0027174 k( 242) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0027174 k( 243) = ( 0.3222222 0.3222222 0.5000000), wk = 0.0027174 k( 244) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0027174 k( 245) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0027174 k( 246) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0027174 k( 247) = ( 0.2777778 0.2777778 0.5000000), wk = 0.0027174 k( 248) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0027174 k( 249) = ( 0.2555556 0.2555556 0.5000000), wk = 0.0027174 k( 250) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0027174 k( 251) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0027174 k( 252) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0027174 k( 253) = ( 0.2111111 0.2111111 0.5000000), wk = 0.0027174 k( 254) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0027174 k( 255) = ( 0.1888889 0.1888889 0.5000000), wk = 0.0027174 k( 256) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0027174 k( 257) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0027174 k( 258) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0027174 k( 259) = ( 0.1444444 0.1444444 0.5000000), wk = 0.0027174 k( 260) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0027174 k( 261) = ( 0.1222222 0.1222222 0.5000000), wk = 0.0027174 k( 262) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0027174 k( 263) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0027174 k( 264) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0027174 k( 265) = ( 0.0777778 0.0777778 0.5000000), wk = 0.0027174 k( 266) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0027174 k( 267) = ( 0.0555556 0.0555556 0.5000000), wk = 0.0027174 k( 268) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0027174 k( 269) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0027174 k( 270) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0027174 k( 271) = ( 0.0111111 0.0111111 0.5000000), wk = 0.0027174 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027174 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0027174 k( 274) = ( 0.0000000 0.5000000 0.0106383), wk = 0.0027174 k( 275) = ( 0.0000000 0.5000000 0.0212766), wk = 0.0027174 k( 276) = ( 0.0000000 0.5000000 0.0319149), wk = 0.0027174 k( 277) = ( 0.0000000 0.5000000 0.0425532), wk = 0.0027174 k( 278) = ( 0.0000000 0.5000000 0.0531915), wk = 0.0027174 k( 279) = ( 0.0000000 0.5000000 0.0638298), wk = 0.0027174 k( 280) = ( 0.0000000 0.5000000 0.0744681), wk = 0.0027174 k( 281) = ( 0.0000000 0.5000000 0.0851064), wk = 0.0027174 k( 282) = ( 0.0000000 0.5000000 0.0957447), wk = 0.0027174 k( 283) = ( 0.0000000 0.5000000 0.1063830), wk = 0.0027174 k( 284) = ( 0.0000000 0.5000000 0.1170213), wk = 0.0027174 k( 285) = ( 0.0000000 0.5000000 0.1276596), wk = 0.0027174 k( 286) = ( 0.0000000 0.5000000 0.1382979), wk = 0.0027174 k( 287) = ( 0.0000000 0.5000000 0.1489362), wk = 0.0027174 k( 288) = ( 0.0000000 0.5000000 0.1595745), wk = 0.0027174 k( 289) = ( 0.0000000 0.5000000 0.1702128), wk = 0.0027174 k( 290) = ( 0.0000000 0.5000000 0.1808511), wk = 0.0027174 k( 291) = ( 0.0000000 0.5000000 0.1914894), wk = 0.0027174 k( 292) = ( 0.0000000 0.5000000 0.2021277), wk = 0.0027174 k( 293) = ( 0.0000000 0.5000000 0.2127660), wk = 0.0027174 k( 294) = ( 0.0000000 0.5000000 0.2234043), wk = 0.0027174 k( 295) = ( 0.0000000 0.5000000 0.2340425), wk = 0.0027174 k( 296) = ( 0.0000000 0.5000000 0.2446809), wk = 0.0027174 k( 297) = ( 0.0000000 0.5000000 0.2553191), wk = 0.0027174 k( 298) = ( 0.0000000 0.5000000 0.2659574), wk = 0.0027174 k( 299) = ( 0.0000000 0.5000000 0.2765957), wk = 0.0027174 k( 300) = ( 0.0000000 0.5000000 0.2872340), wk = 0.0027174 k( 301) = ( 0.0000000 0.5000000 0.2978723), wk = 0.0027174 k( 302) = ( 0.0000000 0.5000000 0.3085106), wk = 0.0027174 k( 303) = ( 0.0000000 0.5000000 0.3191489), wk = 0.0027174 k( 304) = ( 0.0000000 0.5000000 0.3297872), wk = 0.0027174 k( 305) = ( 0.0000000 0.5000000 0.3404255), wk = 0.0027174 k( 306) = ( 0.0000000 0.5000000 0.3510638), wk = 0.0027174 k( 307) = ( 0.0000000 0.5000000 0.3617021), wk = 0.0027174 k( 308) = ( 0.0000000 0.5000000 0.3723404), wk = 0.0027174 k( 309) = ( 0.0000000 0.5000000 0.3829787), wk = 0.0027174 k( 310) = ( 0.0000000 0.5000000 0.3936170), wk = 0.0027174 k( 311) = ( 0.0000000 0.5000000 0.4042553), wk = 0.0027174 k( 312) = ( 0.0000000 0.5000000 0.4148936), wk = 0.0027174 k( 313) = ( 0.0000000 0.5000000 0.4255319), wk = 0.0027174 k( 314) = ( 0.0000000 0.5000000 0.4361702), wk = 0.0027174 k( 315) = ( 0.0000000 0.5000000 0.4468085), wk = 0.0027174 k( 316) = ( 0.0000000 0.5000000 0.4574468), wk = 0.0027174 k( 317) = ( 0.0000000 0.5000000 0.4680851), wk = 0.0027174 k( 318) = ( 0.0000000 0.5000000 0.4787234), wk = 0.0027174 k( 319) = ( 0.0000000 0.5000000 0.4893617), wk = 0.0027174 k( 320) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027174 k( 321) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0027174 k( 322) = ( 0.5000000 0.5000000 0.0106383), wk = 0.0027174 k( 323) = ( 0.5000000 0.5000000 0.0212766), wk = 0.0027174 k( 324) = ( 0.5000000 0.5000000 0.0319149), wk = 0.0027174 k( 325) = ( 0.5000000 0.5000000 0.0425532), wk = 0.0027174 k( 326) = ( 0.5000000 0.5000000 0.0531915), wk = 0.0027174 k( 327) = ( 0.5000000 0.5000000 0.0638298), wk = 0.0027174 k( 328) = ( 0.5000000 0.5000000 0.0744681), wk = 0.0027174 k( 329) = ( 0.5000000 0.5000000 0.0851064), wk = 0.0027174 k( 330) = ( 0.5000000 0.5000000 0.0957447), wk = 0.0027174 k( 331) = ( 0.5000000 0.5000000 0.1063830), wk = 0.0027174 k( 332) = ( 0.5000000 0.5000000 0.1170213), wk = 0.0027174 k( 333) = ( 0.5000000 0.5000000 0.1276596), wk = 0.0027174 k( 334) = ( 0.5000000 0.5000000 0.1382979), wk = 0.0027174 k( 335) = ( 0.5000000 0.5000000 0.1489362), wk = 0.0027174 k( 336) = ( 0.5000000 0.5000000 0.1595745), wk = 0.0027174 k( 337) = ( 0.5000000 0.5000000 0.1702128), wk = 0.0027174 k( 338) = ( 0.5000000 0.5000000 0.1808511), wk = 0.0027174 k( 339) = ( 0.5000000 0.5000000 0.1914894), wk = 0.0027174 k( 340) = ( 0.5000000 0.5000000 0.2021277), wk = 0.0027174 k( 341) = ( 0.5000000 0.5000000 0.2127660), wk = 0.0027174 k( 342) = ( 0.5000000 0.5000000 0.2234043), wk = 0.0027174 k( 343) = ( 0.5000000 0.5000000 0.2340425), wk = 0.0027174 k( 344) = ( 0.5000000 0.5000000 0.2446809), wk = 0.0027174 k( 345) = ( 0.5000000 0.5000000 0.2553191), wk = 0.0027174 k( 346) = ( 0.5000000 0.5000000 0.2659574), wk = 0.0027174 k( 347) = ( 0.5000000 0.5000000 0.2765957), wk = 0.0027174 k( 348) = ( 0.5000000 0.5000000 0.2872340), wk = 0.0027174 k( 349) = ( 0.5000000 0.5000000 0.2978723), wk = 0.0027174 k( 350) = ( 0.5000000 0.5000000 0.3085106), wk = 0.0027174 k( 351) = ( 0.5000000 0.5000000 0.3191489), wk = 0.0027174 k( 352) = ( 0.5000000 0.5000000 0.3297872), wk = 0.0027174 k( 353) = ( 0.5000000 0.5000000 0.3404255), wk = 0.0027174 k( 354) = ( 0.5000000 0.5000000 0.3510638), wk = 0.0027174 k( 355) = ( 0.5000000 0.5000000 0.3617021), wk = 0.0027174 k( 356) = ( 0.5000000 0.5000000 0.3723404), wk = 0.0027174 k( 357) = ( 0.5000000 0.5000000 0.3829787), wk = 0.0027174 k( 358) = ( 0.5000000 0.5000000 0.3936170), wk = 0.0027174 k( 359) = ( 0.5000000 0.5000000 0.4042553), wk = 0.0027174 k( 360) = ( 0.5000000 0.5000000 0.4148936), wk = 0.0027174 k( 361) = ( 0.5000000 0.5000000 0.4255319), wk = 0.0027174 k( 362) = ( 0.5000000 0.5000000 0.4361702), wk = 0.0027174 k( 363) = ( 0.5000000 0.5000000 0.4468085), wk = 0.0027174 k( 364) = ( 0.5000000 0.5000000 0.4574468), wk = 0.0027174 k( 365) = ( 0.5000000 0.5000000 0.4680851), wk = 0.0027174 k( 366) = ( 0.5000000 0.5000000 0.4787234), wk = 0.0027174 k( 367) = ( 0.5000000 0.5000000 0.4893617), wk = 0.0027174 k( 368) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027174 Dense grid: 120679 G-vectors FFT dimensions: ( 72, 72, 48) Smooth grid: 34431 G-vectors FFT dimensions: ( 45, 45, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 250, 76) NL pseudopotentials 0.24 Mb ( 125, 124) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3353) G-vector shells 0.01 Mb ( 1588) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.16 Mb ( 250, 304) Each subspace H/S matrix 0.09 Mb ( 76, 76) Each matrix 0.29 Mb ( 124, 2, 76) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./PdF2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.4 secs Computing kpt #: 2 total cpu time spent up to now is 2.9 secs Computing kpt #: 3 total cpu time spent up to now is 3.5 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 5.1 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.8 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.7 secs Computing kpt #: 20 total cpu time spent up to now is 12.1 secs Computing kpt #: 21 total cpu time spent up to now is 12.6 secs Computing kpt #: 22 total cpu time spent up to now is 13.1 secs Computing kpt #: 23 total cpu time spent up to now is 13.5 secs Computing kpt #: 24 total cpu time spent up to now is 14.0 secs Computing kpt #: 25 total cpu time spent up to now is 14.5 secs Computing kpt #: 26 total cpu time spent up to now is 15.0 secs Computing kpt #: 27 total cpu time spent up to now is 15.4 secs Computing kpt #: 28 total cpu time spent up to now is 15.9 secs Computing kpt #: 29 total cpu time spent up to now is 16.4 secs Computing kpt #: 30 total cpu time spent up to now is 16.9 secs Computing kpt #: 31 total cpu time spent up to now is 17.3 secs Computing kpt #: 32 total cpu time spent up to now is 17.8 secs Computing kpt #: 33 total cpu time spent up to now is 18.3 secs Computing kpt #: 34 total cpu time spent up to now is 18.7 secs Computing kpt #: 35 total cpu time spent up to now is 19.2 secs Computing kpt #: 36 total cpu time spent up to now is 19.7 secs Computing kpt #: 37 total cpu time spent up to now is 20.1 secs Computing kpt #: 38 total cpu time spent up to now is 20.6 secs Computing kpt #: 39 total cpu time spent up to now is 21.1 secs Computing kpt #: 40 total cpu time spent up to now is 21.5 secs Computing kpt #: 41 total cpu time spent up to now is 22.0 secs Computing kpt #: 42 total cpu time spent up to now is 22.4 secs Computing kpt #: 43 total cpu time spent up to now is 22.9 secs Computing kpt #: 44 total cpu time spent up to now is 23.3 secs Computing kpt #: 45 total cpu time spent up to now is 23.8 secs Computing kpt #: 46 total cpu time spent up to now is 24.2 secs Computing kpt #: 47 total cpu time spent up to now is 24.7 secs Computing kpt #: 48 total cpu time spent up to now is 25.1 secs Computing kpt #: 49 total cpu time spent up to now is 25.5 secs Computing kpt #: 50 total cpu time spent up to now is 26.0 secs Computing kpt #: 51 total cpu time spent up to now is 26.4 secs Computing kpt #: 52 total cpu time spent up to now is 26.8 secs Computing kpt #: 53 total cpu time spent up to now is 27.3 secs Computing kpt #: 54 total cpu time spent up to now is 27.7 secs Computing kpt #: 55 total cpu time spent up to now is 28.2 secs Computing kpt #: 56 total cpu time spent up to now is 28.7 secs Computing kpt #: 57 total cpu time spent up to now is 29.2 secs Computing kpt #: 58 total cpu time spent up to now is 29.6 secs Computing kpt #: 59 total cpu time spent up to now is 30.1 secs Computing kpt #: 60 total cpu time spent up to now is 30.5 secs Computing kpt #: 61 total cpu time spent up to now is 31.0 secs Computing kpt #: 62 total cpu time spent up to now is 31.5 secs Computing kpt #: 63 total cpu time spent up to now is 32.0 secs Computing kpt #: 64 total cpu time spent up to now is 32.4 secs Computing kpt #: 65 total cpu time spent up to now is 32.9 secs Computing kpt #: 66 total cpu time spent up to now is 33.3 secs Computing kpt #: 67 total cpu time spent up to now is 33.8 secs Computing kpt #: 68 total cpu time spent up to now is 34.2 secs Computing kpt #: 69 total cpu time spent up to now is 34.7 secs Computing kpt #: 70 total cpu time spent up to now is 35.2 secs Computing kpt #: 71 total cpu time spent up to now is 35.7 secs Computing kpt #: 72 total cpu time spent up to now is 36.1 secs Computing kpt #: 73 total cpu time spent up to now is 36.6 secs Computing kpt #: 74 total cpu time spent up to now is 37.0 secs Computing kpt #: 75 total cpu time spent up to now is 37.5 secs Computing kpt #: 76 total cpu time spent up to now is 37.9 secs Computing kpt #: 77 total cpu time spent up to now is 38.4 secs Computing kpt #: 78 total cpu time spent up to now is 38.8 secs Computing kpt #: 79 total cpu time spent up to now is 39.3 secs Computing kpt #: 80 total cpu time spent up to now is 39.8 secs Computing kpt #: 81 total cpu time spent up to now is 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spent up to now is 71.6 secs Computing kpt #: 144 total cpu time spent up to now is 72.2 secs Computing kpt #: 145 total cpu time spent up to now is 72.9 secs Computing kpt #: 146 total cpu time spent up to now is 73.5 secs Computing kpt #: 147 total cpu time spent up to now is 74.1 secs Computing kpt #: 148 total cpu time spent up to now is 74.8 secs Computing kpt #: 149 total cpu time spent up to now is 75.4 secs Computing kpt #: 150 total cpu time spent up to now is 76.2 secs Computing kpt #: 151 total cpu time spent up to now is 76.9 secs Computing kpt #: 152 total cpu time spent up to now is 77.6 secs Computing kpt #: 153 total cpu time spent up to now is 78.3 secs Computing kpt #: 154 total cpu time spent up to now is 79.0 secs Computing kpt #: 155 total cpu time spent up to now is 79.7 secs Computing kpt #: 156 total cpu time spent up to now is 80.4 secs Computing kpt #: 157 total cpu time spent up to now is 81.0 secs Computing kpt #: 158 total cpu time spent up to now is 81.7 secs Computing kpt #: 159 total cpu time spent up to now is 82.4 secs Computing kpt #: 160 total cpu time spent up to now is 83.0 secs Computing kpt #: 161 total cpu time spent up to now is 83.7 secs Computing kpt #: 162 total cpu time spent up to now is 84.4 secs Computing kpt #: 163 total cpu time spent up to now is 85.0 secs Computing kpt #: 164 total cpu time spent up to now is 85.7 secs Computing kpt #: 165 total cpu time spent up to now is 86.3 secs Computing kpt #: 166 total cpu time spent up to now is 86.9 secs Computing kpt #: 167 total cpu time spent up to now is 87.5 secs Computing kpt #: 168 total cpu time spent up to now is 88.0 secs Computing kpt #: 169 total cpu time spent up to now is 88.5 secs Computing kpt #: 170 total cpu time spent up to now is 89.1 secs Computing kpt #: 171 total cpu time spent up to now is 89.5 secs Computing kpt #: 172 total cpu time spent up to now is 90.0 secs Computing kpt #: 173 total cpu time spent up to now is 90.5 secs Computing kpt #: 174 total cpu time spent up to now is 91.0 secs Computing kpt #: 175 total cpu time spent up to now is 91.4 secs Computing kpt #: 176 total cpu time spent up to now is 91.9 secs Computing kpt #: 177 total cpu time spent up to now is 92.3 secs Computing kpt #: 178 total cpu time spent up to now is 92.8 secs Computing kpt #: 179 total cpu time spent up to now is 93.2 secs Computing kpt #: 180 total cpu time spent up to now is 93.7 secs Computing kpt #: 181 total cpu time spent up to now is 94.1 secs Computing kpt #: 182 total cpu time spent up to now is 94.5 secs Computing kpt #: 183 total cpu time spent up to now is 95.0 secs Computing kpt #: 184 total cpu time spent up to now is 95.4 secs Computing kpt #: 185 total cpu time spent up to now is 95.9 secs Computing kpt #: 186 total cpu time spent up to now is 96.3 secs Computing kpt #: 187 total cpu time spent up to now is 96.7 secs Computing kpt #: 188 total cpu time spent up to now is 97.2 secs Computing kpt #: 189 total cpu time spent up to now is 97.6 secs Computing kpt #: 190 total cpu time spent up to now is 98.1 secs Computing kpt #: 191 total cpu time spent up to now is 98.5 secs Computing kpt #: 192 total cpu time spent up to now is 99.0 secs Computing kpt #: 193 total cpu time spent up to now is 99.4 secs Computing kpt #: 194 total cpu time spent up to now is 99.8 secs Computing kpt #: 195 total cpu time spent up to now is 100.3 secs Computing kpt #: 196 total cpu time spent up to now is 100.7 secs Computing kpt #: 197 total cpu time spent up to now is 101.2 secs Computing kpt #: 198 total cpu time spent up to now is 101.7 secs Computing kpt #: 199 total cpu time spent up to now is 102.2 secs Computing kpt #: 200 total cpu time spent up to now is 102.8 secs Computing kpt #: 201 total cpu time spent up to now is 103.4 secs Computing kpt #: 202 total cpu time spent up to now is 103.9 secs Computing kpt #: 203 total cpu time spent up to now is 104.4 secs Computing kpt #: 204 total cpu time spent up to now is 104.8 secs Computing kpt #: 205 total cpu time spent up to now is 105.2 secs Computing kpt #: 206 total cpu time spent up to now is 105.7 secs Computing kpt #: 207 total cpu time spent up to now is 106.1 secs Computing kpt #: 208 total cpu time spent up to now is 106.6 secs Computing kpt #: 209 total cpu time spent up to now is 107.0 secs Computing kpt #: 210 total cpu time spent up to now is 107.5 secs Computing kpt #: 211 total cpu time spent up to now is 108.0 secs Computing kpt #: 212 total cpu time spent up to now is 108.4 secs Computing kpt #: 213 total cpu time spent up to now is 108.9 secs Computing kpt #: 214 total cpu time spent up to now is 109.3 secs Computing kpt #: 215 total cpu time spent up to now is 109.8 secs Computing kpt #: 216 total cpu time spent up to now is 110.3 secs Computing kpt #: 217 total cpu time spent up to now is 110.8 secs Computing kpt #: 218 total cpu time spent up to now is 111.3 secs Computing kpt #: 219 total cpu time spent up to now is 111.8 secs Computing kpt #: 220 total cpu time spent up to now is 112.3 secs Computing kpt #: 221 total cpu time spent up to now is 112.8 secs Computing kpt #: 222 total cpu time spent up to now is 113.4 secs Computing kpt #: 223 total cpu time spent up to now is 113.9 secs Computing kpt #: 224 total cpu time spent up to now is 114.4 secs Computing kpt #: 225 total cpu time spent up to now is 114.9 secs Computing kpt #: 226 total cpu time spent up to now is 115.5 secs Computing kpt #: 227 total cpu time spent up to now is 116.0 secs Computing kpt #: 228 total cpu time spent up to now is 116.5 secs Computing kpt #: 229 total cpu time spent up to now is 117.0 secs Computing kpt #: 230 total cpu time spent up to now is 117.5 secs Computing kpt #: 231 total cpu time spent up to now is 118.1 secs Computing kpt #: 232 total cpu time spent up to now is 118.6 secs Computing kpt #: 233 total cpu time spent up to now is 119.1 secs Computing kpt #: 234 total cpu time spent up to now is 119.7 secs Computing kpt #: 235 total cpu time spent up to now is 120.2 secs Computing kpt #: 236 total cpu time spent up to now is 120.8 secs Computing kpt #: 237 total cpu time spent up to now is 121.3 secs Computing kpt #: 238 total cpu time spent up to now is 121.8 secs Computing kpt #: 239 total cpu time spent up to now is 122.4 secs Computing kpt #: 240 total cpu time spent up to now is 122.9 secs Computing kpt #: 241 total cpu time spent up to now is 123.4 secs Computing kpt #: 242 total cpu time spent up to now is 123.9 secs Computing kpt #: 243 total cpu time spent up to now is 124.4 secs Computing kpt #: 244 total cpu time spent up to now is 124.9 secs Computing kpt #: 245 total cpu time spent up to now is 125.4 secs Computing kpt #: 246 total cpu time spent up to now is 125.9 secs Computing kpt #: 247 total cpu time spent up to now is 126.4 secs Computing kpt #: 248 total cpu time spent up to now is 126.9 secs Computing kpt #: 249 total cpu time spent up to now is 127.4 secs Computing kpt #: 250 total cpu time spent up to now is 127.9 secs Computing kpt #: 251 total cpu time spent up to now is 128.4 secs Computing kpt #: 252 total cpu time spent up to now is 128.9 secs Computing kpt #: 253 total cpu time spent up to now is 129.4 secs Computing kpt #: 254 total cpu time spent up to now is 129.9 secs Computing kpt #: 255 total cpu time spent up to now is 130.4 secs Computing kpt #: 256 total cpu time spent up to now is 130.9 secs Computing kpt #: 257 total cpu time spent up to now is 131.4 secs Computing kpt #: 258 total cpu time spent up to now is 131.9 secs Computing kpt #: 259 total cpu time spent up to now is 132.4 secs Computing kpt #: 260 total cpu time spent up to now is 132.9 secs Computing kpt #: 261 total cpu time spent up to now is 133.4 secs Computing kpt #: 262 total cpu time spent up to now is 134.0 secs Computing kpt #: 263 total cpu time spent up to now is 134.6 secs Computing kpt #: 264 total cpu time spent up to now is 135.3 secs Computing kpt #: 265 total cpu time spent up to now is 135.9 secs Computing kpt #: 266 total cpu time spent up to now is 136.6 secs Computing kpt #: 267 total cpu time spent up to now is 137.3 secs Computing kpt #: 268 total cpu time spent up to now is 138.1 secs Computing kpt #: 269 total cpu time spent up to now is 138.7 secs Computing kpt #: 270 total cpu time spent up to now is 139.5 secs Computing kpt #: 271 total cpu time spent up to now is 140.3 secs Computing kpt #: 272 total cpu time spent up to now is 141.0 secs Computing kpt #: 273 total cpu time spent up to now is 141.4 secs Computing kpt #: 274 total cpu time spent up to now is 141.9 secs Computing kpt #: 275 total cpu time spent up to now is 142.4 secs Computing kpt #: 276 total cpu time spent up to now is 142.9 secs Computing kpt #: 277 total cpu time spent up to now is 143.4 secs Computing kpt #: 278 total cpu time spent up to now is 143.8 secs Computing kpt #: 279 total cpu time spent up to now is 144.3 secs Computing kpt #: 280 total cpu time spent up to now is 144.8 secs Computing kpt #: 281 total cpu time spent up to now is 145.3 secs Computing kpt #: 282 total cpu time spent up to now is 145.8 secs Computing kpt #: 283 total cpu time spent up to now is 146.2 secs Computing kpt #: 284 total cpu time spent up to now is 146.7 secs Computing kpt #: 285 total cpu time spent up to now is 147.2 secs Computing kpt #: 286 total cpu time spent up to now is 147.6 secs Computing kpt #: 287 total cpu time spent up to now is 148.1 secs Computing kpt #: 288 total cpu time spent up to now is 148.6 secs Computing kpt #: 289 total cpu time spent up to now is 149.1 secs Computing kpt #: 290 total cpu time spent up to now is 149.5 secs Computing kpt #: 291 total cpu time spent up to now is 150.0 secs Computing kpt #: 292 total cpu time spent up to now is 150.5 secs Computing kpt #: 293 total cpu time spent up to now is 151.0 secs Computing kpt #: 294 total cpu time spent up to now is 151.4 secs Computing kpt #: 295 total cpu time spent up to now is 151.9 secs Computing kpt #: 296 total cpu time spent up to now is 152.4 secs Computing kpt #: 297 total cpu time spent up to now is 152.9 secs Computing kpt #: 298 total cpu time spent up to now is 153.3 secs Computing kpt #: 299 total cpu time spent up to now is 153.8 secs Computing kpt #: 300 total cpu time spent up to now is 154.3 secs Computing kpt #: 301 total cpu time spent up to now is 154.7 secs Computing kpt #: 302 total cpu time spent up to now is 155.2 secs Computing kpt #: 303 total cpu time spent up to now is 155.7 secs Computing kpt #: 304 total cpu time spent up to now is 156.1 secs Computing kpt #: 305 total cpu time spent up to now is 156.6 secs Computing kpt #: 306 total cpu time spent up to now is 157.0 secs Computing kpt #: 307 total cpu time spent up to now is 157.5 secs Computing kpt #: 308 total cpu time spent up to now is 157.9 secs Computing kpt #: 309 total cpu time spent up to now is 158.4 secs Computing kpt #: 310 total cpu time spent up to now is 158.8 secs Computing kpt #: 311 total cpu time spent up to now is 159.3 secs Computing kpt #: 312 total cpu time spent up to now is 159.7 secs Computing kpt #: 313 total cpu time spent up to now is 160.2 secs Computing kpt #: 314 total cpu time spent up to now is 160.6 secs Computing kpt #: 315 total cpu time spent up to now is 161.1 secs Computing kpt #: 316 total cpu time spent up to now is 161.5 secs Computing kpt #: 317 total cpu time spent up to now is 162.0 secs Computing kpt #: 318 total cpu time spent up to now is 162.4 secs Computing kpt #: 319 total cpu time spent up to now is 162.9 secs Computing kpt #: 320 total cpu time spent up to now is 163.3 secs Computing kpt #: 321 total cpu time spent up to now is 163.8 secs Computing kpt #: 322 total cpu time spent up to now is 164.2 secs Computing kpt #: 323 total cpu time spent up to now is 164.7 secs Computing kpt #: 324 total cpu time spent up to now is 165.2 secs Computing kpt #: 325 total cpu time spent up to now is 165.7 secs Computing kpt #: 326 total cpu time spent up to now is 166.2 secs Computing kpt #: 327 total cpu time spent up to now is 166.6 secs Computing kpt #: 328 total cpu time spent up to now is 167.1 secs Computing kpt #: 329 total cpu time spent up to now is 167.6 secs Computing kpt #: 330 total cpu time spent up to now is 168.1 secs Computing kpt #: 331 total cpu time spent up to now is 168.6 secs Computing kpt #: 332 total cpu time spent up to now is 169.0 secs Computing kpt #: 333 total cpu time spent up to now is 169.5 secs Computing kpt #: 334 total cpu time spent up to now is 170.0 secs Computing kpt #: 335 total cpu time spent up to now is 170.4 secs Computing kpt #: 336 total cpu time spent up to now is 170.9 secs Computing kpt #: 337 total cpu time spent up to now is 171.3 secs Computing kpt #: 338 total cpu time spent up to now is 171.7 secs Computing kpt #: 339 total cpu time spent up to now is 172.1 secs Computing kpt #: 340 total cpu time spent up to now is 172.5 secs Computing kpt #: 341 total cpu time spent up to now is 172.9 secs Computing kpt #: 342 total cpu time spent up to now is 173.4 secs Computing kpt #: 343 total cpu time spent up to now is 173.8 secs Computing kpt #: 344 total cpu time spent up to now is 174.2 secs Computing kpt #: 345 total cpu time spent up to now is 174.6 secs Computing kpt #: 346 total cpu time spent up to now is 175.1 secs Computing kpt #: 347 total cpu time spent up to now is 175.5 secs Computing kpt #: 348 total cpu time spent up to now is 175.9 secs Computing kpt #: 349 total cpu time spent up to now is 176.4 secs Computing kpt #: 350 total cpu time spent up to now is 176.8 secs Computing kpt #: 351 total cpu time spent up to now is 177.2 secs Computing kpt #: 352 total cpu time spent up to now is 177.7 secs Computing kpt #: 353 total cpu time spent up to now is 178.1 secs Computing kpt #: 354 total cpu time spent up to now is 178.6 secs Computing kpt #: 355 total cpu time spent up to now is 179.0 secs Computing kpt #: 356 total cpu time spent up to now is 179.5 secs Computing kpt #: 357 total cpu time spent up to now is 179.9 secs Computing kpt #: 358 total cpu time spent up to now is 180.4 secs Computing kpt #: 359 total cpu time spent up to now is 180.9 secs Computing kpt #: 360 total cpu time spent up to now is 181.4 secs Computing kpt #: 361 total cpu time spent up to now is 181.8 secs Computing kpt #: 362 total cpu time spent up to now is 182.3 secs Computing kpt #: 363 total cpu time spent up to now is 182.8 secs Computing kpt #: 364 total cpu time spent up to now is 183.3 secs Computing kpt #: 365 total cpu time spent up to now is 183.8 secs Computing kpt #: 366 total cpu time spent up to now is 184.3 secs Computing kpt #: 367 total cpu time spent up to now is 184.8 secs Computing kpt #: 368 total cpu time spent up to now is 185.4 secs ethr = 1.56E-08, avg # of iterations = 14.6 total cpu time spent up to now is 185.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9592 -40.9592 -40.8511 -40.8511 -40.8421 -40.8421 -16.1713 -16.1713 -15.8099 -15.8099 -15.6566 -15.6566 -15.6428 -15.6428 0.2257 0.2257 0.4821 0.4821 1.2906 1.2906 1.3108 1.3108 1.7585 1.7585 2.3404 2.3404 2.4985 2.4985 2.4991 2.4991 3.0825 3.0825 3.5854 3.5854 3.6233 3.6233 3.9279 3.9279 5.5591 5.5591 5.6662 5.6662 5.8219 5.8219 5.8488 5.8488 6.0058 6.0058 6.5436 6.5436 6.9615 6.9615 8.1490 8.1490 8.2543 8.2543 8.7301 8.7301 9.9701 9.9701 15.5618 15.5618 15.7490 15.7490 16.5145 16.5145 k = 0.0000 0.0156-0.0000 ( 4303 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9592 -40.9592 -40.8511 -40.8511 -40.8421 -40.8421 -16.1711 -16.1711 -15.8100 -15.8100 -15.6567 -15.6567 -15.6428 -15.6428 0.2266 0.2266 0.4828 0.4828 1.2907 1.2907 1.3108 1.3108 1.7591 1.7591 2.3405 2.3405 2.4975 2.4975 2.4982 2.4982 3.0817 3.0817 3.5839 3.5839 3.6217 3.6217 3.9274 3.9274 5.5604 5.5604 5.6668 5.6668 5.8225 5.8225 5.8492 5.8492 6.0068 6.0068 6.5444 6.5444 6.9609 6.9609 8.1487 8.1487 8.2540 8.2540 8.7291 8.7291 9.9728 9.9728 15.5564 15.5564 15.7427 15.7427 16.5240 16.5240 k = 0.0000 0.0312-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9593 -40.9593 -40.8511 -40.8511 -40.8421 -40.8421 -16.1704 -16.1704 -15.8103 -15.8103 -15.6569 -15.6569 -15.6431 -15.6431 0.2295 0.2295 0.4848 0.4848 1.2910 1.2910 1.3110 1.3110 1.7611 1.7611 2.3410 2.3410 2.4941 2.4941 2.4956 2.4956 3.0794 3.0794 3.5794 3.5794 3.6171 3.6171 3.9262 3.9262 5.5643 5.5643 5.6687 5.6687 5.8244 5.8244 5.8504 5.8504 6.0101 6.0101 6.5471 6.5471 6.9592 6.9592 8.1479 8.1479 8.2530 8.2530 8.7263 8.7263 9.9809 9.9809 15.5379 15.5379 15.7285 15.7285 16.5508 16.5508 k = 0.0000 0.0469-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3718 -45.3718 -40.9639 -40.9639 -40.9593 -40.9593 -40.8511 -40.8511 -40.8421 -40.8421 -16.1692 -16.1692 -15.8109 -15.8109 -15.6573 -15.6573 -15.6435 -15.6435 0.2342 0.2342 0.4881 0.4881 1.2914 1.2914 1.3113 1.3113 1.7643 1.7643 2.3418 2.3418 2.4883 2.4883 2.4913 2.4913 3.0756 3.0756 3.5717 3.5717 3.6099 3.6099 3.9242 3.9242 5.5707 5.5707 5.6718 5.6718 5.8273 5.8273 5.8524 5.8524 6.0153 6.0153 6.5516 6.5516 6.9565 6.9565 8.1466 8.1466 8.2513 8.2513 8.7217 8.7217 9.9944 9.9944 15.5008 15.5008 15.7159 15.7159 16.5903 16.5903 k = 0.0000 0.0625-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3718 -45.3718 -40.9639 -40.9639 -40.9593 -40.9593 -40.8510 -40.8510 -40.8422 -40.8422 -16.1675 -16.1675 -15.8116 -15.8116 -15.6578 -15.6578 -15.6441 -15.6441 0.2407 0.2407 0.4928 0.4928 1.2919 1.2919 1.3117 1.3117 1.7687 1.7687 2.3430 2.3430 2.4803 2.4803 2.4854 2.4854 3.0703 3.0703 3.5604 3.5604 3.6007 3.6007 3.9213 3.9213 5.5793 5.5793 5.6761 5.6761 5.8315 5.8315 5.8551 5.8551 6.0226 6.0226 6.5581 6.5581 6.9525 6.9525 8.1448 8.1448 8.2489 8.2489 8.7151 8.7151 10.0132 10.0132 15.4431 15.4431 15.7118 15.7118 16.6379 16.6379 k = 0.0000 0.0781-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3719 -45.3719 -40.9639 -40.9639 -40.9593 -40.9593 -40.8510 -40.8510 -40.8422 -40.8422 -16.1653 -16.1653 -15.8126 -15.8126 -15.6584 -15.6584 -15.6449 -15.6449 0.2491 0.2491 0.4986 0.4986 1.2927 1.2927 1.3123 1.3123 1.7744 1.7744 2.3444 2.3444 2.4700 2.4700 2.4778 2.4778 3.0636 3.0636 3.5451 3.5451 3.5904 3.5904 3.9176 3.9176 5.5901 5.5901 5.6814 5.6814 5.8366 5.8366 5.8586 5.8586 6.0318 6.0318 6.5665 6.5665 6.9476 6.9476 8.1424 8.1424 8.2459 8.2459 8.7065 8.7065 10.0374 10.0374 15.3683 15.3683 15.7168 15.7168 16.6893 16.6893 k = 0.0000 0.0938-0.0000 ( 4307 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3719 -45.3719 -40.9639 -40.9639 -40.9593 -40.9593 -40.8509 -40.8509 -40.8423 -40.8423 -16.1627 -16.1627 -15.8139 -15.8139 -15.6592 -15.6592 -15.6457 -15.6457 0.2592 0.2592 0.5058 0.5058 1.2935 1.2935 1.3129 1.3129 1.7813 1.7813 2.3462 2.3462 2.4576 2.4576 2.4685 2.4685 3.0555 3.0555 3.5257 3.5257 3.5795 3.5795 3.9130 3.9130 5.6026 5.6026 5.6879 5.6879 5.8428 5.8428 5.8628 5.8628 6.0426 6.0426 6.5769 6.5769 6.9416 6.9416 8.1396 8.1396 8.2422 8.2422 8.6959 8.6959 10.0668 10.0668 15.2812 15.2812 15.7289 15.7289 16.7416 16.7416 k = 0.0000 0.1094-0.0000 ( 4307 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3719 -45.3719 -40.9638 -40.9638 -40.9594 -40.9594 -40.8509 -40.8509 -40.8423 -40.8423 -16.1595 -16.1595 -15.8154 -15.8154 -15.6602 -15.6602 -15.6467 -15.6467 0.2712 0.2712 0.5142 0.5142 1.2945 1.2945 1.3136 1.3136 1.7894 1.7894 2.3483 2.3483 2.4431 2.4431 2.4574 2.4574 3.0460 3.0460 3.5023 3.5023 3.5684 3.5684 3.9077 3.9077 5.6167 5.6167 5.6954 5.6954 5.8498 5.8498 5.8676 5.8676 6.0550 6.0550 6.5899 6.5899 6.9346 6.9346 8.1363 8.1363 8.2380 8.2380 8.6832 8.6832 10.1016 10.1016 15.1856 15.1856 15.7466 15.7466 16.7928 16.7928 k = 0.0000 0.1250-0.0000 ( 4315 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3755 -45.3755 -45.3720 -45.3720 -40.9638 -40.9638 -40.9594 -40.9594 -40.8508 -40.8508 -40.8424 -40.8424 -16.1560 -16.1560 -15.8172 -15.8172 -15.6613 -15.6613 -15.6477 -15.6477 0.2848 0.2848 0.5238 0.5238 1.2956 1.2956 1.3145 1.3145 1.7987 1.7987 2.3507 2.3507 2.4267 2.4267 2.4446 2.4446 3.0352 3.0352 3.4753 3.4753 3.5573 3.5573 3.9015 3.9015 5.6320 5.6320 5.7037 5.7037 5.8576 5.8576 5.8730 5.8730 6.0687 6.0687 6.6053 6.6053 6.9264 6.9264 8.1326 8.1326 8.2331 8.2331 8.6684 8.6684 10.1415 10.1415 15.0837 15.0837 15.7687 15.7687 16.8416 16.8416 k = 0.0000 0.1406-0.0000 ( 4309 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3755 -45.3755 -45.3720 -45.3720 -40.9637 -40.9637 -40.9595 -40.9595 -40.8507 -40.8507 -40.8425 -40.8425 -16.1519 -16.1519 -15.8193 -15.8193 -15.6625 -15.6625 -15.6487 -15.6487 0.3002 0.3002 0.5346 0.5346 1.2968 1.2968 1.3154 1.3154 1.8091 1.8091 2.3532 2.3532 2.4086 2.4086 2.4303 2.4303 3.0233 3.0233 3.4450 3.4450 3.5465 3.5465 3.8945 3.8945 5.6484 5.6484 5.7129 5.7129 5.8662 5.8662 5.8790 5.8790 6.0835 6.0835 6.6235 6.6235 6.9173 6.9173 8.1286 8.1286 8.2278 8.2278 8.6515 8.6515 10.1865 10.1865 14.9774 14.9774 15.7949 15.7949 16.8870 16.8870 k = 0.0000 0.1562-0.0000 ( 4309 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3754 -45.3754 -45.3720 -45.3720 -40.9637 -40.9637 -40.9595 -40.9595 -40.8506 -40.8506 -40.8426 -40.8426 -16.1475 -16.1475 -15.8217 -15.8217 -15.6638 -15.6638 -15.6499 -15.6499 0.3172 0.3172 0.5465 0.5465 1.2981 1.2981 1.3164 1.3164 1.8205 1.8205 2.3553 2.3553 2.3894 2.3894 2.4144 2.4144 3.0101 3.0101 3.4119 3.4119 3.5360 3.5360 3.8868 3.8868 5.6654 5.6654 5.7228 5.7228 5.8754 5.8754 5.8853 5.8853 6.0992 6.0992 6.6445 6.6445 6.9074 6.9074 8.1242 8.1242 8.2220 8.2220 8.6324 8.6324 10.2365 10.2365 14.8675 14.8675 15.8246 15.8246 16.9286 16.9286 k = 0.0000 0.1719-0.0000 ( 4307 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3754 -45.3754 -45.3721 -45.3721 -40.9636 -40.9636 -40.9596 -40.9596 -40.8505 -40.8505 -40.8427 -40.8427 -16.1426 -16.1426 -15.8245 -15.8245 -15.6652 -15.6652 -15.6510 -15.6510 0.3358 0.3358 0.5595 0.5595 1.2996 1.2996 1.3175 1.3175 1.8330 1.8330 2.3533 2.3533 2.3729 2.3729 2.3973 2.3973 2.9958 2.9958 3.3762 3.3762 3.5262 3.5262 3.8782 3.8782 5.6829 5.6829 5.7333 5.7333 5.8849 5.8849 5.8921 5.8921 6.1153 6.1153 6.6685 6.6685 6.8966 6.8966 8.1194 8.1194 8.2157 8.2157 8.6111 8.6111 10.2913 10.2913 14.7550 14.7550 15.8577 15.8577 16.9663 16.9663 k = 0.0000 0.1875-0.0000 ( 4301 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3754 -45.3754 -45.3721 -45.3721 -40.9636 -40.9636 -40.9596 -40.9596 -40.8504 -40.8504 -40.8428 -40.8428 -16.1372 -16.1372 -15.8276 -15.8276 -15.6667 -15.6667 -15.6521 -15.6521 0.3558 0.3558 0.5735 0.5735 1.3011 1.3011 1.3186 1.3186 1.8464 1.8464 2.3370 2.3370 2.3676 2.3676 2.3808 2.3808 2.9806 2.9806 3.3384 3.3384 3.5172 3.5172 3.8690 3.8690 5.7006 5.7006 5.7444 5.7444 5.8947 5.8947 5.8993 5.8993 6.1318 6.1318 6.6954 6.6954 6.8851 6.8851 8.1144 8.1144 8.2091 8.2091 8.5876 8.5876 10.3508 10.3508 14.6402 14.6402 15.8939 15.8939 17.0000 17.0000 k = 0.0000 0.2031-0.0000 ( 4301 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3753 -45.3753 -45.3722 -45.3722 -40.9635 -40.9635 -40.9597 -40.9597 -40.8503 -40.8503 -40.8430 -40.8430 -16.1315 -16.1315 -15.8312 -15.8312 -15.6682 -15.6682 -15.6533 -15.6533 0.3773 0.3773 0.5885 0.5885 1.3026 1.3026 1.3198 1.3198 1.8605 1.8605 2.3134 2.3134 2.3552 2.3552 2.3765 2.3765 2.9643 2.9643 3.2986 3.2986 3.5092 3.5092 3.8590 3.8590 5.7185 5.7185 5.7559 5.7559 5.9045 5.9045 5.9069 5.9069 6.1485 6.1485 6.7251 6.7251 6.8732 6.8732 8.1090 8.1090 8.2019 8.2019 8.5619 8.5619 10.4148 10.4148 14.5238 14.5238 15.9332 15.9332 17.0298 17.0298 k = 0.0000 0.2188-0.0000 ( 4305 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3752 -45.3752 -45.3722 -45.3722 -40.9634 -40.9634 -40.9598 -40.9598 -40.8501 -40.8501 -40.8431 -40.8431 -16.1254 -16.1254 -15.8351 -15.8351 -15.6697 -15.6697 -15.6545 -15.6545 0.4001 0.4001 0.6042 0.6042 1.3042 1.3042 1.3210 1.3210 1.8753 1.8753 2.2874 2.2874 2.3353 2.3353 2.3806 2.3806 2.9473 2.9473 3.2571 3.2571 3.5023 3.5023 3.8483 3.8483 5.7363 5.7363 5.7678 5.7678 5.9133 5.9133 5.9155 5.9155 6.1651 6.1651 6.7568 6.7568 6.8615 6.8615 8.1035 8.1035 8.1946 8.1946 8.5341 8.5341 10.4832 10.4832 14.4059 14.4059 15.9752 15.9752 17.0559 17.0559 k = 0.0000 0.2344-0.0000 ( 4305 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3752 -45.3752 -45.3723 -45.3723 -40.9634 -40.9634 -40.9599 -40.9599 -40.8500 -40.8500 -40.8433 -40.8433 -16.1189 -16.1189 -15.8394 -15.8394 -15.6711 -15.6711 -15.6557 -15.6557 0.4240 0.4240 0.6207 0.6207 1.3058 1.3058 1.3222 1.3222 1.8905 1.8905 2.2600 2.2600 2.3141 2.3141 2.3863 2.3863 2.9295 2.9295 3.2144 3.2144 3.4967 3.4967 3.8370 3.8370 5.7539 5.7539 5.7799 5.7799 5.9211 5.9211 5.9251 5.9251 6.1817 6.1817 6.7875 6.7875 6.8532 6.8532 8.0978 8.0978 8.1870 8.1870 8.5043 8.5043 10.5557 10.5557 14.2869 14.2869 16.0199 16.0199 17.0785 17.0785 k = 0.0000 0.2500-0.0000 ( 4307 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3751 -45.3751 -45.3724 -45.3724 -40.9633 -40.9633 -40.9599 -40.9599 -40.8498 -40.8498 -40.8434 -40.8434 -16.1120 -16.1120 -15.8442 -15.8442 -15.6725 -15.6725 -15.6569 -15.6569 0.4491 0.4491 0.6378 0.6378 1.3075 1.3075 1.3234 1.3234 1.9056 1.9056 2.2315 2.2315 2.2928 2.2928 2.3928 2.3928 2.9110 2.9110 3.1706 3.1706 3.4924 3.4924 3.8250 3.8250 5.7712 5.7712 5.7924 5.7924 5.9286 5.9286 5.9346 5.9346 6.1983 6.1983 6.8044 6.8044 6.8609 6.8609 8.0920 8.0920 8.1791 8.1791 8.4725 8.4725 10.6321 10.6321 14.1670 14.1670 16.0671 16.0671 17.0978 17.0978 k = 0.0000 0.2656-0.0000 ( 4299 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3751 -45.3751 -45.3724 -45.3724 -40.9632 -40.9632 -40.9600 -40.9600 -40.8497 -40.8497 -40.8436 -40.8436 -16.1048 -16.1048 -15.8494 -15.8494 -15.6737 -15.6737 -15.6581 -15.6581 0.4751 0.4751 0.6554 0.6554 1.3092 1.3092 1.3246 1.3246 1.9204 1.9204 2.2022 2.2022 2.2721 2.2721 2.4002 2.4002 2.8921 2.8921 3.1260 3.1260 3.4896 3.4896 3.8125 3.8125 5.7881 5.7881 5.8049 5.8049 5.9361 5.9361 5.9436 5.9436 6.2149 6.2149 6.7989 6.7989 6.8931 6.8931 8.0860 8.0860 8.1712 8.1712 8.4388 8.4388 10.7123 10.7123 14.0464 14.0464 16.1165 16.1165 17.1139 17.1139 k = 0.0000 0.2812-0.0000 ( 4307 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3750 -45.3750 -45.3725 -45.3725 -40.9631 -40.9631 -40.9601 -40.9601 -40.8495 -40.8495 -40.8437 -40.8437 -16.0973 -16.0973 -15.8550 -15.8550 -15.6749 -15.6749 -15.6594 -15.6594 0.5018 0.5018 0.6733 0.6733 1.3109 1.3109 1.3256 1.3256 1.9341 1.9341 2.1723 2.1723 2.2530 2.2530 2.4081 2.4081 2.8725 2.8725 3.0808 3.0808 3.4881 3.4881 3.7995 3.7995 5.8043 5.8043 5.8177 5.8177 5.9431 5.9431 5.9519 5.9519 6.2314 6.2314 6.7853 6.7853 6.9352 6.9352 8.0799 8.0799 8.1632 8.1632 8.4034 8.4034 10.7961 10.7961 13.9252 13.9252 16.1682 16.1682 17.1269 17.1269 k = 0.0000 0.2969-0.0000 ( 4307 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3749 -45.3749 -45.3726 -45.3726 -40.9630 -40.9630 -40.9602 -40.9602 -40.8493 -40.8493 -40.8439 -40.8439 -16.0895 -16.0895 -15.8611 -15.8611 -15.6759 -15.6759 -15.6606 -15.6606 0.5292 0.5292 0.6913 0.6913 1.3125 1.3125 1.3267 1.3267 1.9457 1.9457 2.1420 2.1420 2.2366 2.2366 2.4169 2.4169 2.8526 2.8526 3.0352 3.0352 3.4881 3.4881 3.7860 3.7860 5.8198 5.8198 5.8307 5.8307 5.9500 5.9500 5.9596 5.9596 6.2482 6.2482 6.7691 6.7691 6.9816 6.9816 8.0736 8.0736 8.1552 8.1552 8.3664 8.3664 10.8832 10.8832 13.8037 13.8037 16.2217 16.2217 17.1370 17.1370 k = 0.0000 0.3125-0.0000 ( 4301 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3748 -45.3748 -45.3727 -45.3727 -40.9629 -40.9629 -40.9603 -40.9603 -40.8491 -40.8491 -40.8441 -40.8441 -16.0813 -16.0813 -15.8676 -15.8676 -15.6767 -15.6767 -15.6618 -15.6618 0.5570 0.5570 0.7094 0.7094 1.3142 1.3142 1.3277 1.3277 1.9542 1.9542 2.1118 2.1118 2.2244 2.2244 2.4263 2.4263 2.8323 2.8323 2.9895 2.9895 3.4895 3.4895 3.7721 3.7721 5.8343 5.8343 5.8440 5.8440 5.9563 5.9563 5.9664 5.9664 6.2652 6.2652 6.7517 6.7517 7.0308 7.0308 8.0670 8.0670 8.1473 8.1473 8.3281 8.3281 10.9735 10.9735 13.6819 13.6819 16.2769 16.2769 17.1441 17.1441 k = 0.0000 0.3281-0.0000 ( 4293 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3747 -45.3747 -45.3727 -45.3727 -40.9628 -40.9628 -40.9604 -40.9604 -40.8490 -40.8490 -40.8443 -40.8443 -16.0729 -16.0729 -15.8745 -15.8745 -15.6774 -15.6774 -15.6631 -15.6631 0.5851 0.5851 0.7272 0.7272 1.3158 1.3158 1.3286 1.3286 1.9583 1.9583 2.0817 2.0817 2.2179 2.2179 2.4365 2.4365 2.8118 2.8118 2.9439 2.9439 3.4924 3.4924 3.7579 3.7579 5.8479 5.8479 5.8575 5.8575 5.9622 5.9622 5.9722 5.9722 6.2826 6.2826 6.7333 6.7333 7.0820 7.0820 8.0599 8.0599 8.1395 8.1395 8.2889 8.2889 11.0668 11.0668 13.5599 13.5599 16.3336 16.3336 17.1482 17.1482 k = 0.0000 0.3438-0.0000 ( 4293 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3747 -45.3747 -45.3728 -45.3728 -40.9627 -40.9627 -40.9605 -40.9605 -40.8488 -40.8488 -40.8445 -40.8445 -16.0643 -16.0643 -15.8818 -15.8818 -15.6779 -15.6779 -15.6643 -15.6643 0.6131 0.6131 0.7446 0.7446 1.3175 1.3175 1.3294 1.3294 1.9573 1.9573 2.0521 2.0521 2.2181 2.2181 2.4473 2.4473 2.7910 2.7910 2.8984 2.8984 3.4965 3.4965 3.7433 3.7433 5.8606 5.8606 5.8708 5.8708 5.9675 5.9675 5.9770 5.9770 6.3004 6.3004 6.7142 6.7142 7.1350 7.1350 8.0518 8.0518 8.1318 8.1318 8.2492 8.2492 11.1629 11.1629 13.4380 13.4380 16.3913 16.3913 17.1491 17.1491 k = 0.0000 0.3594-0.0000 ( 4297 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3746 -45.3746 -45.3729 -45.3729 -40.9626 -40.9626 -40.9606 -40.9606 -40.8486 -40.8486 -40.8447 -40.8447 -16.0555 -16.0555 -15.8894 -15.8894 -15.6783 -15.6783 -15.6655 -15.6655 0.6407 0.6407 0.7611 0.7611 1.3191 1.3191 1.3301 1.3301 1.9512 1.9512 2.0233 2.0233 2.2253 2.2253 2.4590 2.4590 2.7700 2.7700 2.8533 2.8533 3.5018 3.5018 3.7284 3.7284 5.8725 5.8725 5.8838 5.8838 5.9721 5.9721 5.9807 5.9807 6.3186 6.3186 6.6944 6.6944 7.1892 7.1892 8.0419 8.0419 8.1245 8.1245 8.2102 8.2102 11.2615 11.2615 13.3161 13.3161 16.4499 16.4499 17.1468 17.1468 k = 0.0000 0.3750-0.0000 ( 4301 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3745 -45.3745 -45.3730 -45.3730 -40.9625 -40.9625 -40.9607 -40.9607 -40.8484 -40.8484 -40.8449 -40.8449 -16.0464 -16.0464 -15.8974 -15.8974 -15.6785 -15.6785 -15.6667 -15.6667 0.6677 0.6677 0.7765 0.7765 1.3206 1.3206 1.3306 1.3306 1.9411 1.9411 1.9959 1.9959 2.2389 2.2389 2.4713 2.4713 2.7486 2.7486 2.8090 2.8090 3.5084 3.5084 3.7134 3.7134 5.8838 5.8838 5.8962 5.8962 5.9760 5.9760 5.9834 5.9834 6.3373 6.3373 6.6742 6.6742 7.2444 7.2444 8.0285 8.0285 8.1174 8.1174 8.1737 8.1737 11.3627 11.3627 13.1944 13.1944 16.5089 16.5089 17.1409 17.1409 k = 0.0000 0.3906-0.0000 ( 4293 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3744 -45.3744 -45.3731 -45.3731 -40.9624 -40.9624 -40.9608 -40.9608 -40.8482 -40.8482 -40.8451 -40.8451 -16.0372 -16.0372 -15.9057 -15.9057 -15.6786 -15.6786 -15.6679 -15.6679 0.6937 0.6937 0.7906 0.7906 1.3221 1.3221 1.3310 1.3310 1.9286 1.9286 1.9701 1.9701 2.2578 2.2578 2.4843 2.4843 2.7265 2.7265 2.7662 2.7662 3.5162 3.5162 3.6983 3.6983 5.8946 5.8946 5.9078 5.9078 5.9790 5.9790 5.9851 5.9851 6.3566 6.3566 6.6536 6.6536 7.3006 7.3006 8.0090 8.0090 8.1107 8.1107 8.1424 8.1424 11.4660 11.4660 13.0730 13.0730 16.5679 16.5679 17.1313 17.1313 k = 0.0000 0.4062-0.0000 ( 4287 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3743 -45.3743 -45.3732 -45.3732 -40.9623 -40.9623 -40.9609 -40.9609 -40.8479 -40.8479 -40.8453 -40.8453 -16.0278 -16.0278 -15.9143 -15.9143 -15.6785 -15.6785 -15.6691 -15.6691 0.7185 0.7185 0.8028 0.8028 1.3235 1.3235 1.3313 1.3313 1.9149 1.9149 1.9463 1.9463 2.2809 2.2809 2.4980 2.4980 2.7016 2.7016 2.7272 2.7272 3.5250 3.5250 3.6832 3.6832 5.9048 5.9048 5.9184 5.9184 5.9811 5.9811 5.9860 5.9860 6.3764 6.3764 6.6326 6.6326 7.3572 7.3572 7.9810 7.9810 8.1044 8.1044 8.1189 8.1189 11.5715 11.5715 12.9521 12.9521 16.6266 16.6266 17.1176 17.1176 k = 0.0000 0.4219-0.0000 ( 4291 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3742 -45.3742 -45.3733 -45.3733 -40.9622 -40.9622 -40.9610 -40.9610 -40.8477 -40.8477 -40.8455 -40.8455 -16.0183 -16.0183 -15.9232 -15.9232 -15.6782 -15.6782 -15.6703 -15.6703 0.7415 0.7415 0.8127 0.8127 1.3248 1.3248 1.3314 1.3314 1.9015 1.9015 1.9250 1.9250 2.3074 2.3074 2.5124 2.5124 2.6687 2.6687 2.6972 2.6972 3.5348 3.5348 3.6680 3.6680 5.9144 5.9144 5.9279 5.9279 5.9821 5.9821 5.9862 5.9862 6.3966 6.3966 6.6113 6.6113 7.4141 7.4141 7.9443 7.9443 8.0980 8.0980 8.1040 8.1040 11.6790 11.6790 12.8316 12.8316 16.6843 16.6843 17.0996 17.0996 k = 0.0000 0.4375-0.0000 ( 4299 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3741 -45.3741 -45.3734 -45.3734 -40.9621 -40.9621 -40.9611 -40.9611 -40.8475 -40.8475 -40.8457 -40.8457 -16.0087 -16.0087 -15.9322 -15.9322 -15.6779 -15.6779 -15.6714 -15.6714 0.7624 0.7624 0.8201 0.8201 1.3260 1.3260 1.3314 1.3314 1.8893 1.8893 1.9066 1.9066 2.3365 2.3365 2.5272 2.5272 2.6300 2.6300 2.6742 2.6742 3.5454 3.5454 3.6530 3.6530 5.9231 5.9231 5.9360 5.9360 5.9821 5.9821 5.9859 5.9859 6.4171 6.4171 6.5898 6.5898 7.4711 7.4711 7.9010 7.9010 8.0913 8.0913 8.0960 8.0960 11.7882 11.7882 12.7118 12.7118 16.7405 16.7405 17.0770 17.0770 k = 0.0000 0.4531-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3740 -45.3740 -45.3735 -45.3735 -40.9620 -40.9620 -40.9613 -40.9613 -40.8473 -40.8473 -40.8460 -40.8460 -15.9990 -15.9990 -15.9415 -15.9415 -15.6774 -15.6774 -15.6724 -15.6724 0.7809 0.7809 0.8246 0.8246 1.3272 1.3272 1.3313 1.3313 1.8794 1.8794 1.8916 1.8916 2.3678 2.3678 2.5417 2.5417 2.5913 2.5913 2.6535 2.6535 3.5569 3.5569 3.6381 3.6381 5.9311 5.9311 5.9425 5.9425 5.9814 5.9814 5.9853 5.9853 6.4382 6.4382 6.5682 6.5682 7.5281 7.5281 7.8534 7.8534 8.0864 8.0864 8.0911 8.0911 11.8992 11.8992 12.5927 12.5927 16.7949 16.7949 17.0498 17.0498 k = 0.0000 0.4688-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3739 -45.3739 -45.3736 -45.3736 -40.9618 -40.9618 -40.9614 -40.9614 -40.8471 -40.8471 -40.8462 -40.8462 -15.9894 -15.9894 -15.9509 -15.9509 -15.6768 -15.6768 -15.6734 -15.6734 0.7965 0.7965 0.8259 0.8259 1.3282 1.3282 1.3309 1.3309 1.8723 1.8723 1.8801 1.8801 2.4010 2.4010 2.5426 2.5426 2.5673 2.5673 2.6338 2.6338 3.5691 3.5691 3.6235 3.6235 5.9380 5.9380 5.9469 5.9469 5.9807 5.9807 5.9842 5.9842 6.4595 6.4595 6.5464 6.5464 7.5847 7.5847 7.8027 7.8027 8.0836 8.0836 8.0874 8.0874 12.0116 12.0116 12.4744 12.4744 16.8466 16.8466 17.0178 17.0178 k = 0.0000 0.4844-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3736 -45.3736 -40.9617 -40.9617 -40.9615 -40.9615 -40.8469 -40.8469 -40.8464 -40.8464 -15.9797 -15.9797 -15.9604 -15.9604 -15.6761 -15.6761 -15.6744 -15.6744 0.8090 0.8090 0.8238 0.8238 1.3291 1.3291 1.3305 1.3305 1.8686 1.8686 1.8724 1.8724 2.4358 2.4358 2.5087 2.5087 2.5798 2.5798 2.6150 2.6150 3.5820 3.5820 3.6092 3.6092 5.9436 5.9436 5.9485 5.9485 5.9805 5.9805 5.9827 5.9827 6.4810 6.4810 6.5245 6.5245 7.6407 7.6407 7.7501 7.7501 8.0827 8.0827 8.0848 8.0848 12.1255 12.1255 12.3570 12.3570 16.8953 16.8953 16.9813 16.9813 k = 0.0000 0.5000-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9700 -15.9700 -15.9700 -15.9700 -15.6753 -15.6753 -15.6753 -15.6753 0.8181 0.8181 0.8181 0.8181 1.3299 1.3299 1.3299 1.3299 1.8685 1.8685 1.8685 1.8685 2.4718 2.4718 2.4718 2.4718 2.5968 2.5968 2.5968 2.5968 3.5954 3.5954 3.5954 3.5954 5.9473 5.9473 5.9473 5.9473 5.9813 5.9813 5.9813 5.9813 6.5027 6.5027 6.5027 6.5027 7.6959 7.6959 7.6959 7.6959 8.0831 8.0831 8.0831 8.0831 12.2407 12.2407 12.2407 12.2407 16.9403 16.9403 16.9403 16.9403 k = 0.0000 0.5000-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9700 -15.9700 -15.9700 -15.9700 -15.6753 -15.6753 -15.6753 -15.6753 0.8181 0.8181 0.8181 0.8181 1.3299 1.3299 1.3299 1.3299 1.8685 1.8685 1.8685 1.8685 2.4718 2.4718 2.4718 2.4718 2.5968 2.5968 2.5968 2.5968 3.5954 3.5954 3.5954 3.5954 5.9473 5.9473 5.9473 5.9473 5.9813 5.9813 5.9813 5.9813 6.5027 6.5027 6.5027 6.5027 7.6959 7.6959 7.6959 7.6959 8.0831 8.0831 8.0831 8.0831 12.2407 12.2407 12.2407 12.2407 16.9403 16.9403 16.9403 16.9403 k = 0.0156 0.5000-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9700 -15.9700 -15.9700 -15.9700 -15.6753 -15.6753 -15.6753 -15.6753 0.8163 0.8163 0.8163 0.8163 1.3297 1.3297 1.3297 1.3297 1.8707 1.8707 1.8707 1.8707 2.4728 2.4728 2.4728 2.4728 2.5972 2.5972 2.5972 2.5972 3.5946 3.5946 3.5946 3.5946 5.9459 5.9459 5.9459 5.9459 5.9818 5.9818 5.9818 5.9818 6.5027 6.5027 6.5027 6.5027 7.6950 7.6950 7.6950 7.6950 8.0835 8.0835 8.0835 8.0835 12.2429 12.2429 12.2429 12.2429 16.9311 16.9311 16.9311 16.9311 k = 0.0312 0.5000-0.0000 ( 4294 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9700 -15.9700 -15.9700 -15.9700 -15.6752 -15.6752 -15.6752 -15.6752 0.8108 0.8108 0.8108 0.8108 1.3292 1.3292 1.3292 1.3292 1.8772 1.8772 1.8772 1.8772 2.4757 2.4757 2.4757 2.4757 2.5982 2.5982 2.5982 2.5982 3.5924 3.5924 3.5924 3.5924 5.9419 5.9419 5.9419 5.9419 5.9829 5.9829 5.9829 5.9829 6.5028 6.5028 6.5028 6.5028 7.6923 7.6923 7.6923 7.6923 8.0846 8.0846 8.0846 8.0846 12.2496 12.2496 12.2496 12.2496 16.9040 16.9040 16.9040 16.9040 k = 0.0469 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9701 -15.9701 -15.9701 -15.9701 -15.6752 -15.6752 -15.6752 -15.6752 0.8020 0.8020 0.8020 0.8020 1.3284 1.3284 1.3284 1.3284 1.8877 1.8877 1.8877 1.8877 2.4807 2.4807 2.4807 2.4807 2.5999 2.5999 2.5999 2.5999 3.5886 3.5886 3.5886 3.5886 5.9358 5.9358 5.9358 5.9358 5.9842 5.9842 5.9842 5.9842 6.5029 6.5029 6.5029 6.5029 7.6879 7.6879 7.6879 7.6879 8.0864 8.0864 8.0864 8.0864 12.2606 12.2606 12.2606 12.2606 16.8609 16.8609 16.8609 16.8609 k = 0.0625 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9701 -15.9701 -15.9701 -15.9701 -15.6751 -15.6751 -15.6751 -15.6751 0.7900 0.7900 0.7900 0.7900 1.3273 1.3273 1.3273 1.3273 1.9020 1.9020 1.9020 1.9020 2.4876 2.4876 2.4876 2.4876 2.6022 2.6022 2.6022 2.6022 3.5835 3.5835 3.5835 3.5835 5.9281 5.9281 5.9281 5.9281 5.9852 5.9852 5.9852 5.9852 6.5031 6.5031 6.5031 6.5031 7.6818 7.6818 7.6818 7.6818 8.0888 8.0888 8.0888 8.0888 12.2760 12.2760 12.2760 12.2760 16.8040 16.8040 16.8040 16.8040 k = 0.0781 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9701 -15.9701 -15.9701 -15.9701 -15.6750 -15.6750 -15.6750 -15.6750 0.7752 0.7752 0.7752 0.7752 1.3260 1.3260 1.3260 1.3260 1.9196 1.9196 1.9196 1.9196 2.4964 2.4964 2.4964 2.4964 2.6052 2.6052 2.6052 2.6052 3.5769 3.5769 3.5769 3.5769 5.9191 5.9191 5.9191 5.9191 5.9857 5.9857 5.9857 5.9857 6.5035 6.5035 6.5035 6.5035 7.6741 7.6741 7.6741 7.6741 8.0920 8.0920 8.0920 8.0920 12.2957 12.2957 12.2957 12.2957 16.7358 16.7358 16.7358 16.7358 k = 0.0938 0.5000-0.0000 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9702 -15.9702 -15.9702 -15.9702 -15.6749 -15.6749 -15.6749 -15.6749 0.7580 0.7580 0.7580 0.7580 1.3243 1.3243 1.3243 1.3243 1.9402 1.9402 1.9402 1.9402 2.5073 2.5073 2.5073 2.5073 2.6088 2.6088 2.6088 2.6088 3.5690 3.5690 3.5690 3.5690 5.9090 5.9090 5.9090 5.9090 5.9855 5.9855 5.9855 5.9855 6.5038 6.5038 6.5038 6.5038 7.6650 7.6650 7.6650 7.6650 8.0957 8.0957 8.0957 8.0957 12.3196 12.3196 12.3196 12.3196 16.6587 16.6587 16.6587 16.6587 k = 0.1094 0.5000-0.0000 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9702 -15.9702 -15.9702 -15.9702 -15.6748 -15.6748 -15.6748 -15.6748 0.7388 0.7388 0.7388 0.7388 1.3225 1.3225 1.3225 1.3225 1.9630 1.9630 1.9630 1.9630 2.5200 2.5200 2.5200 2.5200 2.6131 2.6131 2.6131 2.6131 3.5598 3.5598 3.5598 3.5598 5.8978 5.8978 5.8978 5.8978 5.9845 5.9845 5.9845 5.9845 6.5043 6.5043 6.5043 6.5043 7.6546 7.6546 7.6546 7.6546 8.1000 8.1000 8.1000 8.1000 12.3475 12.3475 12.3475 12.3475 16.5747 16.5747 16.5747 16.5747 k = 0.1250 0.5000-0.0000 ( 4302 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9703 -15.9703 -15.9703 -15.9703 -15.6747 -15.6747 -15.6747 -15.6747 0.7180 0.7180 0.7180 0.7180 1.3203 1.3203 1.3203 1.3203 1.9878 1.9878 1.9878 1.9878 2.5346 2.5346 2.5346 2.5346 2.6180 2.6180 2.6180 2.6180 3.5492 3.5492 3.5492 3.5492 5.8856 5.8856 5.8856 5.8856 5.9828 5.9828 5.9828 5.9828 6.5048 6.5048 6.5048 6.5048 7.6430 7.6430 7.6430 7.6430 8.1047 8.1047 8.1047 8.1047 12.3794 12.3794 12.3794 12.3794 16.4853 16.4853 16.4853 16.4853 k = 0.1406 0.5000-0.0000 ( 4302 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9704 -15.9704 -15.9704 -15.9704 -15.6745 -15.6745 -15.6745 -15.6745 0.6961 0.6961 0.6961 0.6961 1.3180 1.3180 1.3180 1.3180 2.0140 2.0140 2.0140 2.0140 2.5510 2.5510 2.5510 2.5510 2.6236 2.6236 2.6236 2.6236 3.5375 3.5375 3.5375 3.5375 5.8726 5.8726 5.8726 5.8726 5.9803 5.9803 5.9803 5.9803 6.5054 6.5054 6.5054 6.5054 7.6304 7.6304 7.6304 7.6304 8.1100 8.1100 8.1100 8.1100 12.4151 12.4151 12.4151 12.4151 16.3919 16.3919 16.3919 16.3919 k = 0.1562 0.5000-0.0000 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9704 -15.9704 -15.9704 -15.9704 -15.6744 -15.6744 -15.6744 -15.6744 0.6733 0.6733 0.6733 0.6733 1.3156 1.3156 1.3156 1.3156 2.0412 2.0412 2.0412 2.0412 2.5690 2.5690 2.5690 2.5690 2.6300 2.6300 2.6300 2.6300 3.5247 3.5247 3.5247 3.5247 5.8588 5.8588 5.8588 5.8588 5.9770 5.9770 5.9770 5.9770 6.5061 6.5061 6.5061 6.5061 7.6169 7.6169 7.6169 7.6169 8.1156 8.1156 8.1156 8.1156 12.4545 12.4545 12.4545 12.4545 16.2954 16.2954 16.2954 16.2954 k = 0.1719 0.5000-0.0000 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9705 -15.9705 -15.9705 -15.9705 -15.6742 -15.6742 -15.6742 -15.6742 0.6501 0.6501 0.6501 0.6501 1.3130 1.3130 1.3130 1.3130 2.0690 2.0690 2.0690 2.0690 2.5880 2.5880 2.5880 2.5880 2.6376 2.6376 2.6376 2.6376 3.5108 3.5108 3.5108 3.5108 5.8442 5.8442 5.8442 5.8442 5.9730 5.9730 5.9730 5.9730 6.5068 6.5068 6.5068 6.5068 7.6029 7.6029 7.6029 7.6029 8.1215 8.1215 8.1215 8.1215 12.4974 12.4974 12.4974 12.4974 16.1968 16.1968 16.1968 16.1968 k = 0.1875 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9706 -15.9706 -15.9706 -15.9706 -15.6740 -15.6740 -15.6740 -15.6740 0.6265 0.6265 0.6265 0.6265 1.3103 1.3103 1.3103 1.3103 2.0971 2.0971 2.0971 2.0971 2.6071 2.6071 2.6071 2.6071 2.6473 2.6473 2.6473 2.6473 3.4960 3.4960 3.4960 3.4960 5.8289 5.8289 5.8289 5.8289 5.9682 5.9682 5.9682 5.9682 6.5076 6.5076 6.5076 6.5076 7.5884 7.5884 7.5884 7.5884 8.1277 8.1277 8.1277 8.1277 12.5436 12.5436 12.5436 12.5436 16.0966 16.0966 16.0966 16.0966 k = 0.2031 0.5000-0.0000 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9707 -15.9707 -15.9707 -15.9707 -15.6738 -15.6738 -15.6738 -15.6738 0.6030 0.6030 0.6030 0.6030 1.3075 1.3075 1.3075 1.3075 2.1251 2.1251 2.1251 2.1251 2.6242 2.6242 2.6242 2.6242 2.6607 2.6607 2.6607 2.6607 3.4804 3.4804 3.4804 3.4804 5.8130 5.8130 5.8130 5.8130 5.9628 5.9628 5.9628 5.9628 6.5085 6.5085 6.5085 6.5085 7.5735 7.5735 7.5735 7.5735 8.1341 8.1341 8.1341 8.1341 12.5931 12.5931 12.5931 12.5931 15.9953 15.9953 15.9953 15.9953 k = 0.2188 0.5000-0.0000 ( 4304 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9708 -15.9708 -15.9708 -15.9708 -15.6736 -15.6736 -15.6736 -15.6736 0.5798 0.5798 0.5798 0.5798 1.3046 1.3046 1.3046 1.3046 2.1529 2.1529 2.1529 2.1529 2.6376 2.6376 2.6376 2.6376 2.6796 2.6796 2.6796 2.6796 3.4640 3.4640 3.4640 3.4640 5.7965 5.7965 5.7965 5.7965 5.9568 5.9568 5.9568 5.9568 6.5093 6.5093 6.5093 6.5093 7.5586 7.5586 7.5586 7.5586 8.1406 8.1406 8.1406 8.1406 12.6455 12.6455 12.6455 12.6455 15.8934 15.8934 15.8934 15.8934 k = 0.2344 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9708 -15.9708 -15.9708 -15.9708 -15.6734 -15.6734 -15.6734 -15.6734 0.5570 0.5570 0.5570 0.5570 1.3017 1.3017 1.3017 1.3017 2.1802 2.1802 2.1802 2.1802 2.6478 2.6478 2.6478 2.6478 2.7030 2.7030 2.7030 2.7030 3.4470 3.4470 3.4470 3.4470 5.7797 5.7797 5.7797 5.7797 5.9504 5.9504 5.9504 5.9504 6.5102 6.5102 6.5102 6.5102 7.5437 7.5437 7.5437 7.5437 8.1471 8.1471 8.1471 8.1471 12.7008 12.7008 12.7008 12.7008 15.7912 15.7912 15.7912 15.7912 k = 0.2500 0.5000-0.0000 ( 4304 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9709 -15.9709 -15.9709 -15.9709 -15.6732 -15.6732 -15.6732 -15.6732 0.5348 0.5348 0.5348 0.5348 1.2988 1.2988 1.2988 1.2988 2.2070 2.2070 2.2070 2.2070 2.6563 2.6563 2.6563 2.6563 2.7291 2.7291 2.7291 2.7291 3.4296 3.4296 3.4296 3.4296 5.7624 5.7624 5.7624 5.7624 5.9434 5.9434 5.9434 5.9434 6.5112 6.5112 6.5112 6.5112 7.5289 7.5289 7.5289 7.5289 8.1537 8.1537 8.1537 8.1537 12.7588 12.7588 12.7588 12.7588 15.6891 15.6891 15.6891 15.6891 k = 0.2656 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9710 -15.9710 -15.9710 -15.9710 -15.6730 -15.6730 -15.6730 -15.6730 0.5134 0.5134 0.5134 0.5134 1.2959 1.2959 1.2959 1.2959 2.2330 2.2330 2.2330 2.2330 2.6640 2.6640 2.6640 2.6640 2.7566 2.7566 2.7566 2.7566 3.4118 3.4118 3.4118 3.4118 5.7449 5.7449 5.7449 5.7449 5.9362 5.9362 5.9362 5.9362 6.5122 6.5122 6.5122 6.5122 7.5146 7.5146 7.5146 7.5146 8.1602 8.1602 8.1602 8.1602 12.8192 12.8192 12.8192 12.8192 15.5872 15.5872 15.5872 15.5872 k = 0.2812 0.5000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9711 -15.9711 -15.9711 -15.9711 -15.6728 -15.6728 -15.6728 -15.6728 0.4928 0.4928 0.4928 0.4928 1.2930 1.2930 1.2930 1.2930 2.2582 2.2582 2.2582 2.2582 2.6713 2.6713 2.6713 2.6713 2.7849 2.7849 2.7849 2.7849 3.3939 3.3939 3.3939 3.3939 5.7273 5.7273 5.7273 5.7273 5.9288 5.9288 5.9288 5.9288 6.5132 6.5132 6.5132 6.5132 7.5007 7.5007 7.5007 7.5007 8.1666 8.1666 8.1666 8.1666 12.8819 12.8819 12.8819 12.8819 15.4858 15.4858 15.4858 15.4858 k = 0.2969 0.5000-0.0000 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9712 -15.9712 -15.9712 -15.9712 -15.6726 -15.6726 -15.6726 -15.6726 0.4733 0.4733 0.4733 0.4733 1.2902 1.2902 1.2902 1.2902 2.2826 2.2826 2.2826 2.2826 2.6782 2.6782 2.6782 2.6782 2.8134 2.8134 2.8134 2.8134 3.3760 3.3760 3.3760 3.3760 5.7097 5.7097 5.7097 5.7097 5.9213 5.9213 5.9213 5.9213 6.5141 6.5141 6.5141 6.5141 7.4874 7.4874 7.4874 7.4874 8.1729 8.1729 8.1729 8.1729 12.9467 12.9467 12.9467 12.9467 15.3851 15.3851 15.3851 15.3851 k = 0.3125 0.5000-0.0000 ( 4292 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9713 -15.9713 -15.9713 -15.9713 -15.6725 -15.6725 -15.6725 -15.6725 0.4549 0.4549 0.4549 0.4549 1.2876 1.2876 1.2876 1.2876 2.3060 2.3060 2.3060 2.3060 2.6847 2.6847 2.6847 2.6847 2.8417 2.8417 2.8417 2.8417 3.3583 3.3583 3.3583 3.3583 5.6923 5.6923 5.6923 5.6923 5.9138 5.9138 5.9138 5.9138 6.5150 6.5150 6.5150 6.5150 7.4748 7.4748 7.4748 7.4748 8.1789 8.1789 8.1789 8.1789 13.0133 13.0133 13.0133 13.0133 15.2854 15.2854 15.2854 15.2854 k = 0.3281 0.5000-0.0000 ( 4292 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9714 -15.9714 -15.9714 -15.9714 -15.6723 -15.6723 -15.6723 -15.6723 0.4377 0.4377 0.4377 0.4377 1.2851 1.2851 1.2851 1.2851 2.3283 2.3283 2.3283 2.3283 2.6909 2.6909 2.6909 2.6909 2.8692 2.8692 2.8692 2.8692 3.3410 3.3410 3.3410 3.3410 5.6752 5.6752 5.6752 5.6752 5.9063 5.9063 5.9063 5.9063 6.5159 6.5159 6.5159 6.5159 7.4630 7.4630 7.4630 7.4630 8.1846 8.1846 8.1846 8.1846 13.0816 13.0816 13.0816 13.0816 15.1868 15.1868 15.1868 15.1868 k = 0.3438 0.5000-0.0000 ( 4286 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9715 -15.9715 -15.9715 -15.9715 -15.6721 -15.6721 -15.6721 -15.6721 0.4218 0.4218 0.4218 0.4218 1.2827 1.2827 1.2827 1.2827 2.3496 2.3496 2.3496 2.3496 2.6968 2.6968 2.6968 2.6968 2.8955 2.8955 2.8955 2.8955 3.3244 3.3244 3.3244 3.3244 5.6587 5.6587 5.6587 5.6587 5.8991 5.8991 5.8991 5.8991 6.5168 6.5168 6.5168 6.5168 7.4521 7.4521 7.4521 7.4521 8.1901 8.1901 8.1901 8.1901 13.1511 13.1511 13.1511 13.1511 15.0897 15.0897 15.0897 15.0897 k = 0.3594 0.5000-0.0000 ( 4286 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9715 -15.9715 -15.9715 -15.9715 -15.6719 -15.6719 -15.6719 -15.6719 0.4072 0.4072 0.4072 0.4072 1.2804 1.2804 1.2804 1.2804 2.3696 2.3696 2.3696 2.3696 2.7023 2.7023 2.7023 2.7023 2.9202 2.9202 2.9202 2.9202 3.3088 3.3088 3.3088 3.3088 5.6428 5.6428 5.6428 5.6428 5.8923 5.8923 5.8923 5.8923 6.5176 6.5176 6.5176 6.5176 7.4420 7.4420 7.4420 7.4420 8.1951 8.1951 8.1951 8.1951 13.2217 13.2217 13.2217 13.2217 14.9943 14.9943 14.9943 14.9943 k = 0.3750 0.5000-0.0000 ( 4282 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9716 -15.9716 -15.9716 -15.9716 -15.6718 -15.6718 -15.6718 -15.6718 0.3940 0.3940 0.3940 0.3940 1.2784 1.2784 1.2784 1.2784 2.3882 2.3882 2.3882 2.3882 2.7074 2.7074 2.7074 2.7074 2.9429 2.9429 2.9429 2.9429 3.2942 3.2942 3.2942 3.2942 5.6279 5.6279 5.6279 5.6279 5.8859 5.8859 5.8859 5.8859 6.5183 6.5183 6.5183 6.5183 7.4330 7.4330 7.4330 7.4330 8.1997 8.1997 8.1997 8.1997 13.2928 13.2928 13.2928 13.2928 14.9011 14.9011 14.9011 14.9011 k = 0.3906 0.5000-0.0000 ( 4280 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9716 -15.9716 -15.9716 -15.9716 -15.6717 -15.6717 -15.6717 -15.6717 0.3822 0.3822 0.3822 0.3822 1.2766 1.2766 1.2766 1.2766 2.4053 2.4053 2.4053 2.4053 2.7119 2.7119 2.7119 2.7119 2.9633 2.9633 2.9633 2.9633 3.2812 3.2812 3.2812 3.2812 5.6141 5.6141 5.6141 5.6141 5.8799 5.8799 5.8799 5.8799 6.5190 6.5190 6.5190 6.5190 7.4249 7.4249 7.4249 7.4249 8.2039 8.2039 8.2039 8.2039 13.3639 13.3639 13.3639 13.3639 14.8106 14.8106 14.8106 14.8106 k = 0.4062 0.5000-0.0000 ( 4284 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9717 -15.9717 -15.9717 -15.9717 -15.6715 -15.6715 -15.6715 -15.6715 0.3719 0.3719 0.3719 0.3719 1.2749 1.2749 1.2749 1.2749 2.4207 2.4207 2.4207 2.4207 2.7160 2.7160 2.7160 2.7160 2.9811 2.9811 2.9811 2.9811 3.2697 3.2697 3.2697 3.2697 5.6016 5.6016 5.6016 5.6016 5.8746 5.8746 5.8746 5.8746 6.5195 6.5195 6.5195 6.5195 7.4179 7.4179 7.4179 7.4179 8.2076 8.2076 8.2076 8.2076 13.4342 13.4342 13.4342 13.4342 14.7235 14.7235 14.7235 14.7235 k = 0.4219 0.5000-0.0000 ( 4284 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9718 -15.9718 -15.9718 -15.9718 -15.6714 -15.6714 -15.6714 -15.6714 0.3631 0.3631 0.3631 0.3631 1.2735 1.2735 1.2735 1.2735 2.4341 2.4341 2.4341 2.4341 2.7195 2.7195 2.7195 2.7195 2.9959 2.9959 2.9959 2.9959 3.2602 3.2602 3.2602 3.2602 5.5906 5.5906 5.5906 5.5906 5.8700 5.8700 5.8700 5.8700 6.5200 6.5200 6.5200 6.5200 7.4119 7.4119 7.4119 7.4119 8.2107 8.2107 8.2107 8.2107 13.5025 13.5025 13.5025 13.5025 14.6411 14.6411 14.6411 14.6411 k = 0.4375 0.5000-0.0000 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9718 -15.9718 -15.9718 -15.9718 -15.6714 -15.6714 -15.6714 -15.6714 0.3559 0.3559 0.3559 0.3559 1.2724 1.2724 1.2724 1.2724 2.4455 2.4455 2.4455 2.4455 2.7223 2.7223 2.7223 2.7223 3.0078 3.0078 3.0078 3.0078 3.2525 3.2525 3.2525 3.2525 5.5813 5.5813 5.5813 5.5813 5.8660 5.8660 5.8660 5.8660 6.5203 6.5203 6.5203 6.5203 7.4070 7.4070 7.4070 7.4070 8.2132 8.2132 8.2132 8.2132 13.5672 13.5672 13.5672 13.5672 14.5649 14.5649 14.5649 14.5649 k = 0.4531 0.5000-0.0000 ( 4286 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9718 -15.9718 -15.9718 -15.9718 -15.6713 -15.6713 -15.6713 -15.6713 0.3503 0.3503 0.3503 0.3503 1.2715 1.2715 1.2715 1.2715 2.4546 2.4546 2.4546 2.4546 2.7247 2.7247 2.7247 2.7247 3.0168 3.0168 3.0168 3.0168 3.2468 3.2468 3.2468 3.2468 5.5740 5.5740 5.5740 5.5740 5.8630 5.8630 5.8630 5.8630 6.5207 6.5207 6.5207 6.5207 7.4032 7.4032 7.4032 7.4032 8.2153 8.2153 8.2153 8.2153 13.6255 13.6255 13.6255 13.6255 14.4976 14.4976 14.4976 14.4976 k = 0.4688 0.5000-0.0000 ( 4274 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9718 -15.9718 -15.9718 -15.9718 -15.6712 -15.6712 -15.6712 -15.6712 0.3464 0.3464 0.3464 0.3464 1.2709 1.2709 1.2709 1.2709 2.4613 2.4613 2.4613 2.4613 2.7264 2.7264 2.7264 2.7264 3.0230 3.0230 3.0230 3.0230 3.2430 3.2430 3.2430 3.2430 5.5686 5.5686 5.5686 5.5686 5.8608 5.8608 5.8608 5.8608 6.5210 6.5210 6.5210 6.5210 7.4005 7.4005 7.4005 7.4005 8.2169 8.2169 8.2169 8.2169 13.6735 13.6735 13.6735 13.6735 14.4433 14.4433 14.4433 14.4433 k = 0.4844 0.5000-0.0000 ( 4280 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9719 -15.9719 -15.9719 -15.9719 -15.6712 -15.6712 -15.6712 -15.6712 0.3439 0.3439 0.3439 0.3439 1.2706 1.2706 1.2706 1.2706 2.4653 2.4653 2.4653 2.4653 2.7274 2.7274 2.7274 2.7274 3.0265 3.0265 3.0265 3.0265 3.2408 3.2408 3.2408 3.2408 5.5653 5.5653 5.5653 5.5653 5.8595 5.8595 5.8595 5.8595 6.5211 6.5211 6.5211 6.5211 7.3989 7.3989 7.3989 7.3989 8.2177 8.2177 8.2177 8.2177 13.7059 13.7059 13.7059 13.7059 14.4070 14.4070 14.4070 14.4070 k = 0.5000 0.5000-0.0000 ( 4288 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9719 -15.9719 -15.9719 -15.9719 -15.6712 -15.6712 -15.6712 -15.6712 0.3431 0.3431 0.3431 0.3431 1.2705 1.2705 1.2705 1.2705 2.4667 2.4667 2.4667 2.4667 2.7277 2.7277 2.7277 2.7277 3.0276 3.0276 3.0276 3.0276 3.2400 3.2400 3.2400 3.2400 5.5642 5.5642 5.5642 5.5642 5.8590 5.8590 5.8590 5.8590 6.5211 6.5211 6.5211 6.5211 7.3982 7.3982 7.3982 7.3982 8.2180 8.2180 8.2180 8.2180 13.7175 13.7175 13.7175 13.7175 14.3941 14.3941 14.3941 14.3941 k = 0.5000 0.5000-0.0000 ( 4288 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9719 -15.9719 -15.9719 -15.9719 -15.6712 -15.6712 -15.6712 -15.6712 0.3431 0.3431 0.3431 0.3431 1.2705 1.2705 1.2705 1.2705 2.4667 2.4667 2.4667 2.4667 2.7277 2.7277 2.7277 2.7277 3.0276 3.0276 3.0276 3.0276 3.2400 3.2400 3.2400 3.2400 5.5642 5.5642 5.5642 5.5642 5.8590 5.8590 5.8590 5.8590 6.5211 6.5211 6.5211 6.5211 7.3982 7.3982 7.3982 7.3982 8.2180 8.2180 8.2180 8.2180 13.7175 13.7175 13.7175 13.7175 14.3941 14.3941 14.3941 14.3941 k = 0.4889 0.4889-0.0000 ( 4280 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9721 -15.9721 -15.9716 -15.9716 -15.6713 -15.6713 -15.6712 -15.6712 0.3431 0.3431 0.3447 0.3447 1.2705 1.2705 1.2707 1.2707 2.4652 2.4652 2.4653 2.4653 2.7269 2.7269 2.7279 2.7279 3.0242 3.0242 3.0289 3.0289 3.2377 3.2377 3.2438 3.2438 5.5644 5.5644 5.5662 5.5662 5.8591 5.8591 5.8599 5.8599 6.5205 6.5205 6.5216 6.5216 7.3975 7.3975 7.4003 7.4003 8.2174 8.2174 8.2181 8.2181 13.6934 13.6934 13.7186 13.7186 14.3953 14.3953 14.4186 14.4186 k = 0.4778 0.4778-0.0000 ( 4280 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3738 -45.3738 -45.3737 -45.3737 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9728 -15.9728 -15.9709 -15.9709 -15.6714 -15.6714 -15.6711 -15.6711 0.3432 0.3432 0.3496 0.3496 1.2706 1.2706 1.2712 1.2712 2.4610 2.4610 2.4613 2.4613 2.7243 2.7243 2.7284 2.7284 3.0145 3.0145 3.0324 3.0324 3.2308 3.2308 3.2543 3.2543 5.5648 5.5648 5.5724 5.5724 5.8593 5.8593 5.8624 5.8624 6.5188 6.5188 6.5231 6.5231 7.3949 7.3949 7.4061 7.4061 8.2156 8.2156 8.2181 8.2181 13.6292 13.6292 13.7220 13.7220 14.3986 14.3986 14.4838 14.4838 k = 0.4667 0.4667-0.0000 ( 4280 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3738 -45.3738 -45.3737 -45.3737 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8465 -40.8465 -15.9740 -15.9740 -15.9697 -15.9697 -15.6716 -15.6716 -15.6710 -15.6710 0.3432 0.3432 0.3576 0.3576 1.2708 1.2708 1.2724 1.2724 2.4540 2.4540 2.4545 2.4545 2.7201 2.7201 2.7293 2.7293 2.9999 2.9999 3.0383 3.0383 3.2198 3.2198 3.2701 3.2701 5.5656 5.5656 5.5822 5.5822 5.8596 5.8596 5.8665 5.8665 6.5158 6.5158 6.5255 6.5255 7.3907 7.3907 7.4158 7.4158 8.2125 8.2125 8.2183 8.2183 13.5399 13.5399 13.7276 13.7276 14.4042 14.4042 14.5748 14.5748 k = 0.4556 0.4556-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3738 -45.3738 -45.3737 -45.3737 -40.9617 -40.9617 -40.9616 -40.9616 -40.8467 -40.8467 -40.8465 -40.8465 -15.9756 -15.9756 -15.9680 -15.9680 -15.6719 -15.6719 -15.6708 -15.6708 0.3433 0.3433 0.3688 0.3688 1.2710 1.2710 1.2739 1.2739 2.4441 2.4441 2.4449 2.4449 2.7142 2.7142 2.7305 2.7305 2.9822 2.9822 3.0461 3.0461 3.2053 3.2053 3.2895 3.2895 5.5667 5.5667 5.5953 5.5953 5.8600 5.8600 5.8721 5.8721 6.5118 6.5118 6.5288 6.5288 7.3848 7.3848 7.4293 7.4293 8.2082 8.2082 8.2185 8.2185 13.4365 13.4365 13.7355 13.7355 14.4120 14.4120 14.6805 14.6805 k = 0.4444 0.4444-0.0000 ( 4288 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3738 -45.3738 -45.3737 -45.3737 -40.9618 -40.9618 -40.9616 -40.9616 -40.8467 -40.8467 -40.8464 -40.8464 -15.9776 -15.9776 -15.9659 -15.9659 -15.6723 -15.6723 -15.6705 -15.6705 0.3433 0.3433 0.3831 0.3831 1.2712 1.2712 1.2759 1.2759 2.4308 2.4308 2.4331 2.4331 2.7069 2.7069 2.7322 2.7322 2.9626 2.9626 3.0559 3.0559 3.1883 3.1883 3.3113 3.3113 5.5681 5.5681 5.6113 5.6113 5.8607 5.8607 5.8793 5.8793 6.5066 6.5066 6.5332 6.5332 7.3773 7.3773 7.4466 7.4466 8.2029 8.2029 8.2187 8.2187 13.3252 13.3252 13.7457 13.7457 14.4220 14.4220 14.7948 14.7948 k = 0.4333 0.4333-0.0000 ( 4288 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3739 -45.3739 -45.3737 -45.3737 -40.9618 -40.9618 -40.9616 -40.9616 -40.8468 -40.8468 -40.8464 -40.8464 -15.9802 -15.9802 -15.9633 -15.9633 -15.6728 -15.6728 -15.6703 -15.6703 0.3434 0.3434 0.4004 0.4004 1.2716 1.2716 1.2783 1.2783 2.4139 2.4139 2.4191 2.4191 2.6981 2.6981 2.7342 2.7342 2.9418 2.9418 3.0672 3.0672 3.1698 3.1698 3.3347 3.3347 5.5698 5.5698 5.6296 5.6296 5.8616 5.8616 5.8876 5.8876 6.5004 6.5004 6.5385 6.5385 7.3681 7.3681 7.4677 7.4677 8.1965 8.1965 8.2190 8.2190 13.2094 13.2094 13.7581 13.7581 14.4342 14.4342 14.9143 14.9143 k = 0.4222 0.4222-0.0000 ( 4292 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3739 -45.3739 -45.3736 -45.3736 -40.9618 -40.9618 -40.9615 -40.9615 -40.8469 -40.8469 -40.8463 -40.8463 -15.9831 -15.9831 -15.9603 -15.9603 -15.6733 -15.6733 -15.6699 -15.6699 0.3435 0.3435 0.4206 0.4206 1.2720 1.2720 1.2810 1.2810 2.3930 2.3930 2.4033 2.4033 2.6879 2.6879 2.7366 2.7366 2.9207 2.9207 3.0798 3.0798 3.1508 3.1508 3.3589 3.3589 5.5716 5.5716 5.6496 5.6496 5.8627 5.8627 5.8969 5.8969 6.4930 6.4930 6.5448 6.5448 7.3573 7.3573 7.4923 7.4923 8.1892 8.1892 8.2192 8.2192 13.0909 13.0909 13.7729 13.7729 14.4486 14.4486 15.0373 15.0373 k = 0.4111 0.4111-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3739 -45.3739 -45.3736 -45.3736 -40.9619 -40.9619 -40.9615 -40.9615 -40.8469 -40.8469 -40.8462 -40.8462 -15.9865 -15.9865 -15.9568 -15.9568 -15.6739 -15.6739 -15.6695 -15.6695 0.3436 0.3436 0.4435 0.4435 1.2725 1.2725 1.2840 1.2840 2.3681 2.3681 2.3858 2.3858 2.6766 2.6766 2.7393 2.7393 2.8995 2.8995 3.0930 3.0930 3.1329 3.1329 3.3838 3.3838 5.5737 5.5737 5.6705 5.6705 5.8641 5.8641 5.9071 5.9071 6.4847 6.4847 6.5520 6.5520 7.3449 7.3449 7.5204 7.5204 8.1812 8.1812 8.2196 8.2196 12.9708 12.9708 13.7901 13.7901 14.4650 14.4650 15.1625 15.1625 k = 0.4000 0.4000-0.0000 ( 4294 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3739 -45.3739 -45.3736 -45.3736 -40.9619 -40.9619 -40.9615 -40.9615 -40.8470 -40.8470 -40.8462 -40.8462 -15.9903 -15.9903 -15.9530 -15.9530 -15.6745 -15.6745 -15.6691 -15.6691 0.3438 0.3438 0.4689 0.4689 1.2731 1.2731 1.2873 1.2873 2.3388 2.3388 2.3669 2.3669 2.6642 2.6642 2.7424 2.7424 2.8786 2.8786 3.1024 3.1024 3.1211 3.1211 3.4090 3.4090 5.5758 5.5758 5.6918 5.6918 5.8660 5.8660 5.9179 5.9179 6.4753 6.4753 6.5600 6.5600 7.3309 7.3309 7.5518 7.5518 8.1724 8.1724 8.2201 8.2201 12.8498 12.8498 13.8096 13.8096 14.4836 14.4836 15.2893 15.2893 k = 0.3889 0.3889-0.0000 ( 4294 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3740 -45.3740 -45.3735 -45.3735 -40.9620 -40.9620 -40.9614 -40.9614 -40.8471 -40.8471 -40.8461 -40.8461 -15.9944 -15.9944 -15.9488 -15.9488 -15.6751 -15.6751 -15.6686 -15.6686 0.3439 0.3439 0.4966 0.4966 1.2737 1.2737 1.2909 1.2909 2.3055 2.3055 2.3467 2.3467 2.6508 2.6508 2.7457 2.7457 2.8582 2.8582 3.0947 3.0947 3.1295 3.1295 3.4342 3.4342 5.5781 5.5781 5.7129 5.7129 5.8683 5.8683 5.9289 5.9289 6.4650 6.4650 6.5690 6.5690 7.3153 7.3153 7.5862 7.5862 8.1632 8.1632 8.2206 8.2206 12.7285 12.7285 13.8315 13.8315 14.5042 14.5042 15.4173 15.4173 k = 0.3778 0.3778-0.0000 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3740 -45.3740 -45.3735 -45.3735 -40.9620 -40.9620 -40.9613 -40.9613 -40.8472 -40.8472 -40.8460 -40.8460 -15.9990 -15.9990 -15.9442 -15.9442 -15.6758 -15.6758 -15.6681 -15.6681 0.3440 0.3440 0.5263 0.5263 1.2744 1.2744 1.2946 1.2946 2.2684 2.2684 2.3255 2.3255 2.6367 2.6367 2.7491 2.7491 2.8387 2.8387 3.0828 3.0828 3.1452 3.1452 3.4594 3.4594 5.5805 5.5805 5.7331 5.7331 5.8714 5.8714 5.9400 5.9400 6.4538 6.4538 6.5787 6.5787 7.2982 7.2982 7.6234 7.6234 8.1536 8.1536 8.2213 8.2213 12.6071 12.6071 13.8558 13.8558 14.5267 14.5267 15.5460 15.5460 k = 0.3667 0.3667-0.0000 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3741 -45.3741 -45.3734 -45.3734 -40.9621 -40.9621 -40.9613 -40.9613 -40.8473 -40.8473 -40.8458 -40.8458 -16.0039 -16.0039 -15.9394 -15.9394 -15.6764 -15.6764 -15.6676 -15.6676 0.3440 0.3440 0.5578 0.5578 1.2751 1.2751 1.2984 1.2984 2.2281 2.2281 2.3033 2.3033 2.6219 2.6219 2.7521 2.7521 2.8206 2.8206 3.0732 3.0732 3.1622 3.1622 3.4843 3.4843 5.5830 5.5830 5.7519 5.7519 5.8754 5.8754 5.9509 5.9509 6.4417 6.4417 6.5892 6.5892 7.2795 7.2795 7.6632 7.6632 8.1439 8.1439 8.2221 8.2221 12.4860 12.4860 13.8826 13.8826 14.5512 14.5512 15.6753 15.6753 k = 0.3556 0.3556-0.0000 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3741 -45.3741 -45.3734 -45.3734 -40.9621 -40.9621 -40.9612 -40.9612 -40.8475 -40.8475 -40.8457 -40.8457 -16.0091 -16.0091 -15.9342 -15.9342 -15.6770 -15.6770 -15.6670 -15.6670 0.3441 0.3441 0.5905 0.5905 1.2759 1.2759 1.3023 1.3023 2.1852 2.1852 2.2805 2.2805 2.6066 2.6066 2.7535 2.7535 2.8053 2.8053 3.0663 3.0663 3.1800 3.1800 3.5090 3.5090 5.5855 5.5855 5.7687 5.7687 5.8805 5.8805 5.9614 5.9614 6.4291 6.4291 6.6004 6.6004 7.2594 7.2594 7.7050 7.7050 8.1342 8.1342 8.2230 8.2230 12.3653 12.3653 13.9118 13.9118 14.5776 14.5776 15.8048 15.8048 k = 0.3444 0.3444-0.0000 ( 4302 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3742 -45.3742 -45.3733 -45.3733 -40.9622 -40.9622 -40.9611 -40.9611 -40.8476 -40.8476 -40.8456 -40.8456 -16.0147 -16.0147 -15.9288 -15.9288 -15.6776 -15.6776 -15.6663 -15.6663 0.3441 0.3441 0.6240 0.6240 1.2768 1.2768 1.3061 1.3061 2.1407 2.1407 2.2571 2.2571 2.5910 2.5910 2.7509 2.7509 2.7951 2.7951 3.0624 3.0624 3.1983 3.1983 3.5333 3.5333 5.5879 5.5879 5.7831 5.7831 5.8868 5.8868 5.9711 5.9711 6.4156 6.4156 6.6123 6.6123 7.2378 7.2378 7.7486 7.7486 8.1247 8.1247 8.2241 8.2241 12.2453 12.2453 13.9435 13.9435 14.6058 14.6058 15.9343 15.9343 k = 0.3333 0.3333-0.0000 ( 4302 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3742 -45.3742 -45.3733 -45.3733 -40.9623 -40.9623 -40.9611 -40.9611 -40.8477 -40.8477 -40.8455 -40.8455 -16.0205 -16.0205 -15.9231 -15.9231 -15.6782 -15.6782 -15.6657 -15.6657 0.3441 0.3441 0.6578 0.6578 1.2777 1.2777 1.3100 1.3100 2.0956 2.0956 2.2333 2.2333 2.5753 2.5753 2.7421 2.7421 2.7924 2.7924 3.0613 3.0613 3.2169 3.2169 3.5571 3.5571 5.5904 5.5904 5.7948 5.7948 5.8944 5.8944 5.9800 5.9800 6.4018 6.4018 6.6247 6.6247 7.2150 7.2150 7.7935 7.7935 8.1157 8.1157 8.2255 8.2255 12.1261 12.1261 13.9777 13.9777 14.6358 14.6358 16.0636 16.0636 k = 0.3222 0.3222-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3743 -45.3743 -45.3732 -45.3732 -40.9623 -40.9623 -40.9610 -40.9610 -40.8479 -40.8479 -40.8453 -40.8453 -16.0266 -16.0266 -15.9172 -15.9172 -15.6787 -15.6787 -15.6650 -15.6650 0.3441 0.3441 0.6911 0.6911 1.2786 1.2786 1.3137 1.3137 2.0511 2.0511 2.2092 2.2092 2.5595 2.5595 2.7289 2.7289 2.7951 2.7951 3.0630 3.0630 3.2356 3.2356 3.5804 3.5804 5.5929 5.5929 5.8040 5.8040 5.9030 5.9030 5.9877 5.9877 6.3875 6.3875 6.6377 6.6377 7.1907 7.1907 7.8392 7.8392 8.1073 8.1073 8.2272 8.2272 12.0080 12.0080 14.0144 14.0144 14.6674 14.6674 16.1923 16.1923 k = 0.3111 0.3111-0.0000 ( 4304 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3744 -45.3744 -45.3731 -45.3731 -40.9624 -40.9624 -40.9609 -40.9609 -40.8480 -40.8480 -40.8452 -40.8452 -16.0330 -16.0330 -15.9113 -15.9113 -15.6791 -15.6791 -15.6642 -15.6642 0.3440 0.3440 0.7232 0.7232 1.2796 1.2796 1.3171 1.3171 2.0084 2.0084 2.1849 2.1849 2.5437 2.5437 2.7142 2.7142 2.8008 2.8008 3.0671 3.0671 3.2546 3.2546 3.6031 3.6031 5.5954 5.5954 5.8108 5.8108 5.9121 5.9121 5.9940 5.9940 6.3728 6.3728 6.6512 6.6512 7.1652 7.1652 7.8852 7.8852 8.0999 8.0999 8.2294 8.2294 11.8911 11.8911 14.0536 14.0536 14.7007 14.7007 16.3200 16.3200 k = 0.3000 0.3000-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3744 -45.3744 -45.3731 -45.3731 -40.9625 -40.9625 -40.9608 -40.9608 -40.8482 -40.8482 -40.8450 -40.8450 -16.0395 -16.0395 -15.9052 -15.9052 -15.6794 -15.6794 -15.6635 -15.6635 0.3437 0.3437 0.7530 0.7530 1.2806 1.2806 1.3204 1.3204 1.9691 1.9691 2.1606 2.1606 2.5282 2.5282 2.6992 2.6992 2.8081 2.8081 3.0736 3.0736 3.2736 3.2736 3.6252 3.6252 5.5978 5.5978 5.8157 5.8157 5.9211 5.9211 5.9989 5.9989 6.3580 6.3580 6.6652 6.6652 7.1386 7.1386 7.9306 7.9306 8.0940 8.0940 8.2322 8.2322 11.7757 11.7757 14.0952 14.0952 14.7355 14.7355 16.4464 16.4464 k = 0.2889 0.2889-0.0000 ( 4300 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3745 -45.3745 -45.3730 -45.3730 -40.9625 -40.9625 -40.9607 -40.9607 -40.8483 -40.8483 -40.8449 -40.8449 -16.0462 -16.0462 -15.8990 -15.8990 -15.6796 -15.6796 -15.6627 -15.6627 0.3434 0.3434 0.7794 0.7794 1.2815 1.2815 1.3233 1.3233 1.9344 1.9344 2.1364 2.1364 2.5130 2.5130 2.6843 2.6843 2.8164 2.8164 3.0822 3.0822 3.2925 3.2925 3.6467 3.6467 5.6001 5.6001 5.8192 5.8192 5.9294 5.9294 6.0022 6.0022 6.3430 6.3430 6.6795 6.6795 7.1109 7.1109 7.9741 7.9741 8.0902 8.0902 8.2359 8.2359 11.6619 11.6619 14.1393 14.1393 14.7717 14.7717 16.5708 16.5708 k = 0.2778 0.2778-0.0000 ( 4304 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3746 -45.3746 -45.3729 -45.3729 -40.9626 -40.9626 -40.9607 -40.9607 -40.8485 -40.8485 -40.8447 -40.8447 -16.0530 -16.0530 -15.8928 -15.8928 -15.6796 -15.6796 -15.6620 -15.6620 0.3430 0.3430 0.8014 0.8014 1.2825 1.2825 1.3259 1.3259 1.9058 1.9058 2.1123 2.1123 2.4982 2.4982 2.6699 2.6699 2.8257 2.8257 3.0927 3.0927 3.3114 3.3114 3.6675 3.6675 5.6023 5.6023 5.8215 5.8215 5.9366 5.9366 6.0038 6.0038 6.3280 6.3280 6.6940 6.6940 7.0821 7.0821 8.0133 8.0133 8.0903 8.0903 8.2411 8.2411 11.5499 11.5499 14.1859 14.1859 14.8093 14.8093 16.6925 16.6925 k = 0.2667 0.2667-0.0000 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3746 -45.3746 -45.3729 -45.3729 -40.9627 -40.9627 -40.9606 -40.9606 -40.8486 -40.8486 -40.8446 -40.8446 -16.0599 -16.0599 -15.8866 -15.8866 -15.6796 -15.6796 -15.6611 -15.6611 0.3424 0.3424 0.8178 0.8178 1.2835 1.2835 1.3281 1.3281 1.8848 1.8848 2.0885 2.0885 2.4840 2.4840 2.6561 2.6561 2.8357 2.8357 3.1051 3.1051 3.3301 3.3301 3.6876 3.6876 5.6045 5.6045 5.8230 5.8230 5.9424 5.9424 6.0037 6.0037 6.3132 6.3132 6.7088 6.7088 7.0525 7.0525 8.0417 8.0417 8.0998 8.0998 8.2487 8.2487 11.4399 11.4399 14.2348 14.2348 14.8482 14.8482 16.8104 16.8104 k = 0.2556 0.2556-0.0000 ( 4292 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3747 -45.3747 -45.3728 -45.3728 -40.9628 -40.9628 -40.9605 -40.9605 -40.8488 -40.8488 -40.8444 -40.8444 -16.0669 -16.0669 -15.8805 -15.8805 -15.6794 -15.6794 -15.6603 -15.6603 0.3416 0.3416 0.8276 0.8276 1.2846 1.2846 1.3299 1.3299 1.8723 1.8723 2.0650 2.0650 2.4704 2.4704 2.6428 2.6428 2.8463 2.8463 3.1192 3.1192 3.3486 3.3486 3.7070 3.7070 5.6065 5.6065 5.8237 5.8237 5.9465 5.9465 6.0018 6.0018 6.2983 6.2983 6.7237 6.7237 7.0222 7.0222 8.0545 8.0545 8.1217 8.1217 8.2600 8.2600 11.3322 11.3322 14.2861 14.2861 14.8882 14.8882 16.9233 16.9233 k = 0.2444 0.2444-0.0000 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3748 -45.3748 -45.3727 -45.3727 -40.9629 -40.9629 -40.9604 -40.9604 -40.8490 -40.8490 -40.8443 -40.8443 -16.0739 -16.0739 -15.8745 -15.8745 -15.6790 -15.6790 -15.6595 -15.6595 0.3407 0.3407 0.8303 0.8303 1.2855 1.2855 1.3312 1.3312 1.8691 1.8691 2.0420 2.0420 2.4575 2.4575 2.6301 2.6301 2.8575 2.8575 3.1348 3.1348 3.3669 3.3669 3.7256 3.7256 5.6084 5.6084 5.8237 5.8237 5.9487 5.9487 5.9981 5.9981 6.2836 6.2836 6.7385 6.7385 6.9914 6.9914 8.0590 8.0590 8.1466 8.1466 8.2769 8.2769 11.2269 11.2269 14.3396 14.3396 14.9292 14.9292 17.0292 17.0292 k = 0.2333 0.2333-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5520 -76.5520 -45.3748 -45.3748 -45.3727 -45.3727 -40.9629 -40.9629 -40.9603 -40.9603 -40.8491 -40.8491 -40.8441 -40.8441 -16.0809 -16.0809 -15.8686 -15.8686 -15.6785 -15.6785 -15.6587 -15.6587 0.3394 0.3394 0.8259 0.8259 1.2865 1.2865 1.3321 1.3321 1.8754 1.8754 2.0196 2.0196 2.4453 2.4453 2.6180 2.6180 2.8693 2.8693 3.1519 3.1519 3.3849 3.3849 3.7435 3.7435 5.6101 5.6101 5.8231 5.8231 5.9492 5.9492 5.9927 5.9927 6.2692 6.2692 6.7532 6.7532 6.9602 6.9602 8.0616 8.0616 8.1670 8.1670 8.3006 8.3006 11.1244 11.1244 14.3953 14.3953 14.9712 14.9712 17.1258 17.1258 k = 0.2222 0.2222-0.0000 ( 4290 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3749 -45.3749 -45.3726 -45.3726 -40.9630 -40.9630 -40.9602 -40.9602 -40.8493 -40.8493 -40.8440 -40.8440 -16.0878 -16.0878 -15.8629 -15.8629 -15.6778 -15.6778 -15.6578 -15.6578 0.3379 0.3379 0.8147 0.8147 1.2875 1.2875 1.3325 1.3325 1.8904 1.8904 1.9979 1.9979 2.4338 2.4338 2.6066 2.6066 2.8816 2.8816 3.1704 3.1704 3.4025 3.4025 3.7606 3.7606 5.6116 5.6116 5.8219 5.8219 5.9478 5.9478 5.9858 5.9858 6.2548 6.2548 6.7674 6.7674 6.9292 6.9292 8.0643 8.0643 8.1814 8.1814 8.3301 8.3301 11.0248 11.0248 14.4531 14.4531 15.0140 15.0140 17.2102 17.2102 k = 0.2111 0.2111-0.0000 ( 4294 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3749 -45.3749 -45.3725 -45.3725 -40.9631 -40.9631 -40.9602 -40.9602 -40.8494 -40.8494 -40.8438 -40.8438 -16.0947 -16.0947 -15.8574 -15.8574 -15.6769 -15.6769 -15.6570 -15.6570 0.3361 0.3361 0.7977 0.7977 1.2884 1.2884 1.3325 1.3325 1.9130 1.9130 1.9773 1.9773 2.4231 2.4231 2.5957 2.5957 2.8943 2.8943 3.1902 3.1902 3.4197 3.4197 3.7768 3.7768 5.6130 5.6130 5.8199 5.8199 5.9447 5.9447 5.9774 5.9774 6.2405 6.2405 6.7806 6.7806 6.8989 6.8989 8.0676 8.0676 8.1913 8.1913 8.3631 8.3631 10.9284 10.9284 14.5129 14.5129 15.0574 15.0574 17.2789 17.2789 k = 0.2000 0.2000-0.0000 ( 4306 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3750 -45.3750 -45.3725 -45.3725 -40.9632 -40.9632 -40.9601 -40.9601 -40.8496 -40.8496 -40.8436 -40.8436 -16.1015 -16.1015 -15.8522 -15.8522 -15.6759 -15.6759 -15.6562 -15.6562 0.3338 0.3338 0.7760 0.7760 1.2893 1.2893 1.3320 1.3320 1.9379 1.9379 1.9617 1.9617 2.4132 2.4132 2.5855 2.5855 2.9074 2.9074 3.2112 3.2112 3.4365 3.4365 3.7923 3.7923 5.6141 5.6141 5.8171 5.8171 5.9400 5.9400 5.9676 5.9676 6.2262 6.2262 6.7913 6.7913 6.8709 6.8709 8.0715 8.0715 8.1982 8.1982 8.3976 8.3976 10.8354 10.8354 14.5746 14.5746 15.1014 15.1014 17.3286 17.3286 k = 0.1889 0.1889-0.0000 ( 4292 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3751 -45.3751 -45.3724 -45.3724 -40.9632 -40.9632 -40.9600 -40.9600 -40.8497 -40.8497 -40.8435 -40.8435 -16.1081 -16.1081 -15.8473 -15.8473 -15.6748 -15.6748 -15.6553 -15.6553 0.3311 0.3311 0.7511 0.7511 1.2901 1.2901 1.3313 1.3313 1.9324 1.9324 1.9830 1.9830 2.4041 2.4041 2.5759 2.5759 2.9208 2.9208 3.2335 3.2335 3.4527 3.4527 3.8070 3.8070 5.6150 5.6150 5.8135 5.8135 5.9340 5.9340 5.9571 5.9571 6.2119 6.2119 6.7949 6.7949 6.8505 6.8505 8.0764 8.0764 8.2037 8.2037 8.4323 8.4323 10.7461 10.7461 14.6380 14.6380 15.1456 15.1456 17.3566 17.3566 k = 0.1778 0.1778-0.0000 ( 4296 PWs) bands (ev): -76.5522 -76.5522 -76.5520 -76.5520 -45.3751 -45.3751 -45.3723 -45.3723 -40.9633 -40.9633 -40.9599 -40.9599 -40.8499 -40.8499 -40.8434 -40.8434 -16.1145 -16.1145 -15.8426 -15.8426 -15.6735 -15.6735 -15.6544 -15.6544 0.3278 0.3278 0.7239 0.7239 1.2909 1.2909 1.3302 1.3302 1.9148 1.9148 2.0214 2.0214 2.3957 2.3957 2.5668 2.5668 2.9343 2.9343 3.2570 3.2570 3.4685 3.4685 3.8208 3.8208 5.6156 5.6156 5.8086 5.8086 5.9269 5.9269 5.9457 5.9457 6.1973 6.1973 6.7824 6.7824 6.8462 6.8462 8.0819 8.0819 8.2080 8.2080 8.4660 8.4660 10.6608 10.6608 14.7030 14.7030 15.1901 15.1901 17.3623 17.3623 k = 0.1667 0.1667-0.0000 ( 4290 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3752 -45.3752 -45.3723 -45.3723 -40.9634 -40.9634 -40.9598 -40.9598 -40.8500 -40.8500 -40.8432 -40.8432 -16.1208 -16.1208 -15.8383 -15.8383 -15.6720 -15.6720 -15.6536 -15.6536 0.3239 0.3239 0.6957 0.6957 1.2916 1.2916 1.3287 1.3287 1.8970 1.8970 2.0635 2.0635 2.3881 2.3881 2.5584 2.5584 2.9480 2.9480 3.2816 3.2816 3.4836 3.4836 3.8338 3.8338 5.6160 5.6160 5.8024 5.8024 5.9190 5.9190 5.9341 5.9341 6.1825 6.1825 6.7591 6.7591 6.8535 6.8535 8.0880 8.0880 8.2119 8.2119 8.4983 8.4983 10.5796 10.5796 14.7695 14.7695 15.2345 15.2345 17.3471 17.3471 k = 0.1556 0.1556-0.0000 ( 4286 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3753 -45.3753 -45.3722 -45.3722 -40.9635 -40.9635 -40.9598 -40.9598 -40.8501 -40.8501 -40.8431 -40.8431 -16.1267 -16.1267 -15.8343 -15.8343 -15.6705 -15.6705 -15.6527 -15.6527 0.3192 0.3192 0.6675 0.6675 1.2923 1.2923 1.3271 1.3271 1.8800 1.8800 2.1075 2.1075 2.3812 2.3812 2.5506 2.5506 2.9617 2.9617 3.3072 3.3072 3.4982 3.4982 3.8459 3.8459 5.6160 5.6160 5.7946 5.7946 5.9108 5.9108 5.9224 5.9224 6.1672 6.1672 6.7331 6.7331 6.8641 6.8641 8.0944 8.0944 8.2154 8.2154 8.5289 8.5289 10.5029 10.5029 14.8371 14.8371 15.2787 15.2787 17.3140 17.3140 k = 0.1444 0.1444-0.0000 ( 4288 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3753 -45.3753 -45.3722 -45.3722 -40.9635 -40.9635 -40.9597 -40.9597 -40.8503 -40.8503 -40.8429 -40.8429 -16.1325 -16.1325 -15.8306 -15.8306 -15.6690 -15.6690 -15.6519 -15.6519 0.3138 0.3138 0.6401 0.6401 1.2928 1.2928 1.3252 1.3252 1.8639 1.8639 2.1521 2.1521 2.3751 2.3751 2.5433 2.5433 2.9753 2.9753 3.3336 3.3336 3.5120 3.5120 3.8573 3.8573 5.6156 5.6156 5.7850 5.7850 5.9024 5.9024 5.9108 5.9108 6.1514 6.1514 6.7074 6.7074 6.8756 6.8756 8.1010 8.1010 8.2189 8.2189 8.5575 8.5575 10.4307 10.4307 14.9057 14.9057 15.3224 15.3224 17.2668 17.2668 k = 0.1333 0.1333-0.0000 ( 4284 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3754 -45.3754 -45.3721 -45.3721 -40.9636 -40.9636 -40.9596 -40.9596 -40.8504 -40.8504 -40.8428 -40.8428 -16.1379 -16.1379 -15.8273 -15.8273 -15.6674 -15.6674 -15.6510 -15.6510 0.3074 0.3074 0.6141 0.6141 1.2932 1.2932 1.3233 1.3233 1.8488 1.8488 2.1963 2.1963 2.3696 2.3696 2.5367 2.5367 2.9886 2.9886 3.3608 3.3608 3.5251 3.5251 3.8677 3.8677 5.6148 5.6148 5.7737 5.7737 5.8942 5.8942 5.8998 5.8998 6.1353 6.1353 6.6828 6.6828 6.8870 6.8870 8.1076 8.1076 8.2223 8.2223 8.5840 8.5840 10.3634 10.3634 14.9749 14.9749 15.3655 15.3655 17.2090 17.2090 k = 0.1222 0.1222-0.0000 ( 4292 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3754 -45.3754 -45.3721 -45.3721 -40.9636 -40.9636 -40.9596 -40.9596 -40.8505 -40.8505 -40.8427 -40.8427 -16.1430 -16.1430 -15.8243 -15.8243 -15.6658 -15.6658 -15.6501 -15.6501 0.3002 0.3002 0.5902 0.5902 1.2935 1.2935 1.3213 1.3213 1.8348 1.8348 2.2393 2.2393 2.3648 2.3648 2.5305 2.5305 3.0015 3.0015 3.3884 3.3884 3.5375 3.5375 3.8774 3.8774 5.6133 5.6133 5.7609 5.7609 5.8861 5.8861 5.8898 5.8898 6.1190 6.1190 6.6599 6.6599 6.8979 6.8979 8.1140 8.1140 8.2257 8.2257 8.6082 8.6082 10.3011 10.3011 15.0445 15.0445 15.4077 15.4077 17.1438 17.1438 k = 0.1111 0.1111-0.0000 ( 4288 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3754 -45.3754 -45.3720 -45.3720 -40.9637 -40.9637 -40.9595 -40.9595 -40.8506 -40.8506 -40.8426 -40.8426 -16.1477 -16.1477 -15.8216 -15.8216 -15.6643 -15.6643 -15.6492 -15.6492 0.2922 0.2922 0.5687 0.5687 1.2937 1.2937 1.3195 1.3195 1.8218 1.8218 2.2802 2.2802 2.3609 2.3609 2.5250 2.5250 3.0139 3.0139 3.4162 3.4162 3.5491 3.5491 3.8861 3.8861 5.6112 5.6112 5.7470 5.7470 5.8770 5.8770 5.8821 5.8821 6.1027 6.1027 6.6390 6.6390 6.9082 6.9082 8.1200 8.1200 8.2293 8.2293 8.6302 8.6302 10.2439 10.2439 15.1139 15.1139 15.4488 15.4488 17.0736 17.0736 k = 0.1000 0.1000-0.0000 ( 4300 PWs) bands (ev): -76.5522 -76.5522 -76.5519 -76.5519 -45.3755 -45.3755 -45.3720 -45.3720 -40.9637 -40.9637 -40.9595 -40.9595 -40.8507 -40.8507 -40.8425 -40.8425 -16.1520 -16.1520 -15.8192 -15.8192 -15.6628 -15.6628 -15.6483 -15.6483 0.2835 0.2835 0.5499 0.5499 1.2936 1.2936 1.3177 1.3177 1.8100 1.8100 2.3179 2.3179 2.3582 2.3582 2.5200 2.5200 3.0257 3.0257 3.4438 3.4438 3.5599 3.5599 3.8941 3.8941 5.6081 5.6081 5.7326 5.7326 5.8676 5.8676 5.8758 5.8758 6.0866 6.0866 6.6201 6.6201 6.9178 6.9178 8.1256 8.1256 8.2328 8.2328 8.6499 8.6499 10.1919 10.1919 15.1826 15.1826 15.4885 15.4885 17.0006 17.0006 k = 0.0889 0.0889-0.0000 ( 4297 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3755 -45.3755 -45.3720 -45.3720 -40.9638 -40.9638 -40.9594 -40.9594 -40.8508 -40.8508 -40.8424 -40.8424 -16.1560 -16.1560 -15.8172 -15.8172 -15.6615 -15.6615 -15.6474 -15.6474 0.2743 0.2743 0.5338 0.5338 1.2935 1.2935 1.3161 1.3161 1.7993 1.7993 2.3448 2.3448 2.3637 2.3637 2.5155 2.5155 3.0367 3.0367 3.4707 3.4707 3.5699 3.5699 3.9012 3.9012 5.6040 5.6040 5.7185 5.7185 5.8587 5.8587 5.8706 5.8706 6.0713 6.0713 6.6034 6.6034 6.9267 6.9267 8.1306 8.1306 8.2364 8.2364 8.6672 8.6672 10.1454 10.1454 15.2499 15.2499 15.5269 15.5269 16.9264 16.9264 k = 0.0778 0.0778-0.0000 ( 4293 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3719 -45.3719 -40.9638 -40.9638 -40.9594 -40.9594 -40.8509 -40.8509 -40.8423 -40.8423 -16.1595 -16.1595 -15.8154 -15.8154 -15.6603 -15.6603 -15.6465 -15.6465 0.2650 0.2650 0.5203 0.5203 1.2932 1.2932 1.3147 1.3147 1.7899 1.7899 2.3476 2.3476 2.3905 2.3905 2.5116 2.5116 3.0468 3.0468 3.4964 3.4964 3.5792 3.5792 3.9075 3.9075 5.5987 5.5987 5.7054 5.7054 5.8506 5.8506 5.8659 5.8659 6.0570 6.0570 6.5890 6.5890 6.9346 6.9346 8.1351 8.1351 8.2399 8.2399 8.6824 8.6824 10.1042 10.1042 15.3145 15.3145 15.5638 15.5638 16.8526 16.8526 k = 0.0667 0.0667-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3719 -45.3719 -40.9639 -40.9639 -40.9593 -40.9593 -40.8509 -40.8509 -40.8423 -40.8423 -16.1626 -16.1626 -15.8139 -15.8139 -15.6593 -15.6593 -15.6456 -15.6456 0.2560 0.2560 0.5092 0.5092 1.2928 1.2928 1.3135 1.3135 1.7815 1.7815 2.3461 2.3461 2.4182 2.4182 2.5081 2.5081 3.0559 3.0559 3.5200 3.5200 3.5877 3.5877 3.9129 3.9129 5.5923 5.5923 5.6940 5.6940 5.8433 5.8433 5.8618 5.8618 6.0440 6.0440 6.5766 6.5766 6.9415 6.9415 8.1389 8.1389 8.2433 8.2433 8.6953 8.6953 10.0686 10.0686 15.3752 15.3752 15.5994 15.5994 16.7806 16.7806 k = 0.0556 0.0556-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3719 -45.3719 -40.9639 -40.9639 -40.9593 -40.9593 -40.8510 -40.8510 -40.8422 -40.8422 -16.1653 -16.1653 -15.8126 -15.8126 -15.6585 -15.6585 -15.6448 -15.6448 0.2476 0.2476 0.5003 0.5003 1.2923 1.2923 1.3126 1.3126 1.7746 1.7746 2.3444 2.3444 2.4424 2.4424 2.5053 2.5053 3.0637 3.0637 3.5407 3.5407 3.5958 3.5958 3.9175 3.9175 5.5849 5.5849 5.6846 5.6846 5.8370 5.8370 5.8581 5.8581 6.0326 6.0326 6.5663 6.5663 6.9475 6.9475 8.1420 8.1420 8.2464 8.2464 8.7062 8.7062 10.0384 10.0384 15.4301 15.4301 15.6337 15.6337 16.7122 16.7122 k = 0.0444 0.0444-0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3756 -45.3756 -45.3718 -45.3718 -40.9639 -40.9639 -40.9593 -40.9593 -40.8510 -40.8510 -40.8422 -40.8422 -16.1674 -16.1674 -15.8116 -15.8116 -15.6578 -15.6578 -15.6441 -15.6441 0.2401 0.2401 0.4935 0.4935 1.2918 1.2918 1.3119 1.3119 1.7688 1.7688 2.3430 2.3430 2.4625 2.4625 2.5030 2.5030 3.0703 3.0703 3.5578 3.5578 3.6036 3.6036 3.9212 3.9212 5.5772 5.5772 5.6774 5.6774 5.8317 5.8317 5.8549 5.8549 6.0231 6.0231 6.5580 6.5580 6.9525 6.9525 8.1446 8.1446 8.2491 8.2491 8.7149 8.7149 10.0138 10.0138 15.4771 15.4771 15.6669 15.6669 16.6495 16.6495 k = 0.0333 0.0333-0.0000 ( 4297 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9639 -40.9639 -40.9593 -40.9593 -40.8511 -40.8511 -40.8421 -40.8421 -16.1692 -16.1692 -15.8109 -15.8109 -15.6573 -15.6573 -15.6435 -15.6435 0.2340 0.2340 0.4884 0.4884 1.2913 1.2913 1.3114 1.3114 1.7643 1.7643 2.3419 2.3419 2.4784 2.4784 2.5012 2.5012 3.0756 3.0756 3.5706 3.5706 3.6109 3.6109 3.9241 3.9241 5.5700 5.5700 5.6722 5.6722 5.8275 5.8275 5.8523 5.8523 6.0155 6.0155 6.5516 6.5516 6.9564 6.9564 8.1466 8.1466 8.2513 8.2513 8.7215 8.7215 9.9947 9.9947 15.5143 15.5143 15.6978 15.6978 16.5950 16.5950 k = 0.0222 0.0222-0.0000 ( 4303 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9593 -40.9593 -40.8511 -40.8511 -40.8421 -40.8421 -16.1704 -16.1704 -15.8103 -15.8103 -15.6569 -15.6569 -15.6431 -15.6431 0.2295 0.2295 0.4849 0.4849 1.2909 1.2909 1.3110 1.3110 1.7611 1.7611 2.3410 2.3410 2.4897 2.4897 2.4999 2.4999 3.0794 3.0794 3.5791 3.5791 3.6173 3.6173 3.9262 3.9262 5.5642 5.5642 5.6688 5.6688 5.8244 5.8244 5.8503 5.8503 6.0101 6.0101 6.5471 6.5471 6.9592 6.9592 8.1479 8.1479 8.2530 8.2530 8.7263 8.7263 9.9810 9.9810 15.5409 15.5409 15.7242 15.7242 16.5520 16.5520 k = 0.0111 0.0111-0.0000 ( 4303 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9592 -40.9592 -40.8511 -40.8511 -40.8421 -40.8421 -16.1711 -16.1711 -15.8100 -15.8100 -15.6567 -15.6567 -15.6428 -15.6428 0.2266 0.2266 0.4828 0.4828 1.2907 1.2907 1.3108 1.3108 1.7591 1.7591 2.3405 2.3405 2.4965 2.4965 2.4991 2.4991 3.0817 3.0817 3.5838 3.5838 3.6217 3.6217 3.9274 3.9274 5.5604 5.5604 5.6668 5.6668 5.8225 5.8225 5.8492 5.8492 6.0068 6.0068 6.5444 6.5444 6.9609 6.9609 8.1487 8.1487 8.2540 8.2540 8.7291 8.7291 9.9728 9.9728 15.5566 15.5566 15.7424 15.7424 16.5242 16.5242 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9592 -40.9592 -40.8511 -40.8511 -40.8421 -40.8421 -16.1713 -16.1713 -15.8099 -15.8099 -15.6566 -15.6566 -15.6428 -15.6428 0.2257 0.2257 0.4821 0.4821 1.2906 1.2906 1.3108 1.3108 1.7585 1.7585 2.3404 2.3404 2.4985 2.4985 2.4991 2.4991 3.0825 3.0825 3.5854 3.5854 3.6233 3.6233 3.9279 3.9279 5.5591 5.5591 5.6662 5.6662 5.8219 5.8219 5.8488 5.8488 6.0058 6.0058 6.5436 6.5436 6.9615 6.9615 8.1490 8.1490 8.2543 8.2543 8.7301 8.7301 9.9701 9.9701 15.5618 15.5618 15.7490 15.7490 16.5145 16.5145 k = 0.0000 0.0000 0.0000 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9592 -40.9592 -40.8511 -40.8511 -40.8421 -40.8421 -16.1713 -16.1713 -15.8099 -15.8099 -15.6566 -15.6566 -15.6428 -15.6428 0.2257 0.2257 0.4821 0.4821 1.2906 1.2906 1.3108 1.3108 1.7585 1.7585 2.3404 2.3404 2.4985 2.4985 2.4991 2.4991 3.0825 3.0825 3.5854 3.5854 3.6233 3.6233 3.9279 3.9279 5.5591 5.5591 5.6662 5.6662 5.8219 5.8219 5.8488 5.8488 6.0058 6.0058 6.5436 6.5436 6.9615 6.9615 8.1490 8.1490 8.2543 8.2543 8.7301 8.7301 9.9701 9.9701 15.5618 15.5618 15.7490 15.7490 16.5145 16.5145 k = 0.0000 0.0000 0.0156 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9593 -40.9593 -40.8511 -40.8511 -40.8421 -40.8421 -16.1711 -16.1711 -15.8098 -15.8098 -15.6567 -15.6567 -15.6428 -15.6428 0.2265 0.2265 0.4827 0.4827 1.2908 1.2908 1.3109 1.3109 1.7592 1.7592 2.3389 2.3389 2.4992 2.4992 2.4998 2.4998 3.0803 3.0803 3.5842 3.5842 3.6221 3.6221 3.9276 3.9276 5.5596 5.5596 5.6670 5.6670 5.8219 5.8219 5.8495 5.8495 6.0061 6.0061 6.5447 6.5447 6.9610 6.9610 8.1477 8.1477 8.2530 8.2530 8.7291 8.7291 9.9732 9.9732 15.5645 15.5645 15.7517 15.7517 16.5150 16.5150 k = 0.0000 0.0000 0.0311 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3718 -45.3718 -40.9640 -40.9640 -40.9593 -40.9593 -40.8511 -40.8511 -40.8421 -40.8421 -16.1703 -16.1703 -15.8096 -15.8096 -15.6569 -15.6569 -15.6431 -15.6431 0.2291 0.2291 0.4844 0.4844 1.2913 1.2913 1.3113 1.3113 1.7612 1.7612 2.3343 2.3343 2.5010 2.5010 2.5017 2.5017 3.0738 3.0738 3.5809 3.5809 3.6186 3.6186 3.9269 3.9269 5.5610 5.5610 5.6694 5.6694 5.8217 5.8217 5.8516 5.8516 6.0068 6.0068 6.5482 6.5482 6.9596 6.9596 8.1437 8.1437 8.2491 8.2491 8.7263 8.7263 9.9824 9.9824 15.5727 15.5727 15.7599 15.7599 16.5165 16.5165 k = 0.0000 0.0000 0.0467 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3719 -45.3719 -40.9641 -40.9641 -40.9594 -40.9594 -40.8511 -40.8511 -40.8421 -40.8421 -16.1690 -16.1690 -15.8093 -15.8093 -15.6572 -15.6572 -15.6435 -15.6435 0.2333 0.2333 0.4872 0.4872 1.2921 1.2921 1.3119 1.3119 1.7646 1.7646 2.3267 2.3267 2.5041 2.5041 2.5050 2.5050 3.0630 3.0630 3.5755 3.5755 3.6129 3.6129 3.9257 3.9257 5.5634 5.5634 5.6733 5.6733 5.8216 5.8216 5.8552 5.8552 6.0081 6.0081 6.5539 6.5539 6.9572 6.9572 8.1372 8.1372 8.2425 8.2425 8.7217 8.7217 9.9978 9.9978 15.5864 15.5864 15.7736 15.7736 16.5191 16.5191 k = 0.0000 0.0000 0.0622 ( 4299 PWs) bands (ev): -76.5523 -76.5523 -76.5519 -76.5519 -45.3757 -45.3757 -45.3719 -45.3719 -40.9643 -40.9643 -40.9596 -40.9596 -40.8510 -40.8510 -40.8421 -40.8421 -16.1672 -16.1672 -15.8088 -15.8088 -15.6577 -15.6577 -15.6440 -15.6440 0.2392 0.2392 0.4911 0.4911 1.2933 1.2933 1.3128 1.3128 1.7693 1.7693 2.3162 2.3162 2.5084 2.5084 2.5096 2.5096 3.0480 3.0480 3.5680 3.5680 3.6048 3.6048 3.9239 3.9239 5.5665 5.5665 5.6788 5.6788 5.8213 5.8213 5.8600 5.8600 6.0098 6.0098 6.5619 6.5619 6.9539 6.9539 8.1281 8.1281 8.2334 8.2334 8.7152 8.7152 10.0192 10.0192 15.6054 15.6054 15.7927 15.7927 16.5227 16.5227 k = 0.0000 0.0000 0.0778 ( 4279 PWs) bands (ev): -76.5522 -76.5522 -76.5518 -76.5518 -45.3758 -45.3758 -45.3720 -45.3720 -40.9644 -40.9644 -40.9598 -40.9598 -40.8510 -40.8510 -40.8420 -40.8420 -16.1649 -16.1649 -15.8082 -15.8082 -15.6584 -15.6584 -15.6447 -15.6447 0.2468 0.2468 0.4961 0.4961 1.2950 1.2950 1.3141 1.3141 1.7754 1.7754 2.3028 2.3028 2.5139 2.5139 2.5154 2.5154 3.0293 3.0293 3.5584 3.5584 3.5946 3.5946 3.9217 3.9217 5.5706 5.5706 5.6858 5.6858 5.8209 5.8209 5.8664 5.8664 6.0122 6.0122 6.5720 6.5720 6.9498 6.9498 8.1166 8.1166 8.2219 8.2219 8.7070 8.7070 10.0466 10.0466 15.6298 15.6298 15.8171 15.8171 16.5273 16.5273 k = 0.0000 0.0000 0.0933 ( 4271 PWs) bands (ev): -76.5522 -76.5522 -76.5518 -76.5518 -45.3758 -45.3758 -45.3720 -45.3720 -40.9646 -40.9646 -40.9600 -40.9600 -40.8509 -40.8509 -40.8420 -40.8420 -16.1620 -16.1620 -15.8075 -15.8075 -15.6591 -15.6591 -15.6456 -15.6456 0.2561 0.2561 0.5022 0.5022 1.2969 1.2969 1.3156 1.3156 1.7828 1.7828 2.2866 2.2866 2.5205 2.5205 2.5224 2.5224 3.0065 3.0065 3.5469 3.5469 3.5823 3.5823 3.9189 3.9189 5.5753 5.5753 5.6940 5.6940 5.8206 5.8206 5.8739 5.8739 6.0152 6.0152 6.5843 6.5843 6.9447 6.9447 8.1027 8.1027 8.2080 8.2080 8.6968 8.6968 10.0799 10.0799 15.6594 15.6594 15.8467 15.8467 16.5327 16.5327 k = 0.0000 0.0000 0.1089 ( 4275 PWs) bands (ev): -76.5522 -76.5522 -76.5518 -76.5518 -45.3759 -45.3759 -45.3721 -45.3721 -40.9649 -40.9649 -40.9603 -40.9603 -40.8508 -40.8508 -40.8420 -40.8420 -16.1587 -16.1587 -15.8067 -15.8067 -15.6600 -15.6600 -15.6466 -15.6466 0.2669 0.2669 0.5093 0.5093 1.2992 1.2992 1.3174 1.3174 1.7915 1.7915 2.2678 2.2678 2.5280 2.5280 2.5305 2.5305 2.9802 2.9802 3.5333 3.5333 3.5678 3.5678 3.9155 3.9155 5.5807 5.5807 5.7033 5.7033 5.8199 5.8199 5.8826 5.8826 6.0187 6.0187 6.5985 6.5985 6.9387 6.9387 8.0864 8.0864 8.1917 8.1917 8.6848 8.6848 10.1190 10.1190 15.6940 15.6940 15.8814 15.8814 16.5390 16.5390 k = 0.0000 0.0000 0.1245 ( 4267 PWs) bands (ev): -76.5522 -76.5522 -76.5518 -76.5518 -45.3760 -45.3760 -45.3722 -45.3722 -40.9651 -40.9651 -40.9606 -40.9606 -40.8507 -40.8507 -40.8420 -40.8420 -16.1549 -16.1549 -15.8057 -15.8057 -15.6610 -15.6610 -15.6478 -15.6478 0.2793 0.2793 0.5174 0.5174 1.3020 1.3020 1.3197 1.3197 1.8016 1.8016 2.2465 2.2465 2.5365 2.5365 2.5397 2.5397 2.9505 2.9505 3.5180 3.5180 3.5514 3.5514 3.9115 3.9115 5.5866 5.5866 5.7138 5.7138 5.8191 5.8191 5.8925 5.8925 6.0229 6.0229 6.6147 6.6147 6.9318 6.9318 8.0681 8.0681 8.1734 8.1734 8.6711 8.6711 10.1638 10.1638 15.7335 15.7335 15.9210 15.9210 16.5460 16.5460 k = 0.0000 0.0000 0.1400 ( 4283 PWs) bands (ev): -76.5522 -76.5522 -76.5518 -76.5518 -45.3760 -45.3760 -45.3724 -45.3724 -40.9654 -40.9654 -40.9609 -40.9609 -40.8506 -40.8506 -40.8420 -40.8420 -16.1506 -16.1506 -15.8047 -15.8047 -15.6622 -15.6622 -15.6491 -15.6491 0.2932 0.2932 0.5264 0.5264 1.3052 1.3052 1.3223 1.3223 1.8129 1.8129 2.2229 2.2229 2.5459 2.5459 2.5499 2.5499 2.9178 2.9178 3.5008 3.5008 3.5331 3.5331 3.9069 3.9069 5.5930 5.5930 5.7250 5.7250 5.8181 5.8181 5.9034 5.9034 6.0277 6.0277 6.6325 6.6325 6.9240 6.9240 8.0476 8.0476 8.1529 8.1529 8.6556 8.6556 10.2140 10.2140 15.7778 15.7778 15.9654 15.9654 16.5536 16.5536 k = 0.0000 0.0000 0.1556 ( 4283 PWs) bands (ev): -76.5522 -76.5522 -76.5518 -76.5518 -45.3761 -45.3761 -45.3725 -45.3725 -40.9657 -40.9657 -40.9613 -40.9613 -40.8505 -40.8505 -40.8420 -40.8420 -16.1459 -16.1459 -15.8036 -15.8036 -15.6635 -15.6635 -15.6505 -15.6505 0.3087 0.3087 0.5364 0.5364 1.3090 1.3090 1.3254 1.3254 1.8256 1.8256 2.1972 2.1972 2.5560 2.5560 2.5609 2.5609 2.8823 2.8823 3.4820 3.4820 3.5131 3.5131 3.9016 3.9016 5.5998 5.5998 5.7371 5.7371 5.8170 5.8170 5.9153 5.9153 6.0333 6.0333 6.6521 6.6521 6.9153 6.9153 8.0253 8.0253 8.1306 8.1306 8.6384 8.6384 10.2697 10.2697 15.8267 15.8267 16.0144 16.0144 16.5618 16.5618 k = 0.0000 0.0000 0.1711 ( 4291 PWs) bands (ev): -76.5521 -76.5521 -76.5518 -76.5518 -45.3762 -45.3762 -45.3726 -45.3726 -40.9661 -40.9661 -40.9617 -40.9617 -40.8504 -40.8504 -40.8419 -40.8419 -16.1407 -16.1407 -15.8024 -15.8024 -15.6648 -15.6648 -15.6521 -15.6521 0.3256 0.3256 0.5473 0.5473 1.3133 1.3133 1.3290 1.3290 1.8395 1.8395 2.1695 2.1695 2.5667 2.5667 2.5727 2.5727 2.8444 2.8444 3.4617 3.4617 3.4914 3.4914 3.8955 3.8955 5.6068 5.6068 5.7497 5.7497 5.8158 5.8158 5.9281 5.9281 6.0396 6.0396 6.6733 6.6733 6.9058 6.9058 8.0013 8.0013 8.1066 8.1066 8.6195 8.6195 10.3304 10.3304 15.8800 15.8800 16.0678 16.0678 16.5703 16.5703 k = 0.0000 0.0000 0.1867 ( 4291 PWs) bands (ev): -76.5521 -76.5521 -76.5517 -76.5517 -45.3763 -45.3763 -45.3728 -45.3728 -40.9665 -40.9665 -40.9621 -40.9621 -40.8503 -40.8503 -40.8419 -40.8419 -16.1351 -16.1351 -15.8012 -15.8012 -15.6663 -15.6663 -15.6537 -15.6537 0.3440 0.3440 0.5591 0.5591 1.3183 1.3183 1.3333 1.3333 1.8548 1.8548 2.1401 2.1401 2.5777 2.5777 2.5852 2.5852 2.8044 2.8044 3.4399 3.4399 3.4682 3.4682 3.8887 3.8887 5.6140 5.6140 5.7629 5.7629 5.8145 5.8145 5.9419 5.9419 6.0467 6.0467 6.6958 6.6958 6.8954 6.8954 7.9758 7.9758 8.0810 8.0810 8.5990 8.5990 10.3962 10.3962 15.9376 15.9376 16.1254 16.1254 16.5790 16.5790 k = 0.0000 0.0000 0.2022 ( 4291 PWs) bands (ev): -76.5521 -76.5521 -76.5517 -76.5517 -45.3764 -45.3764 -45.3729 -45.3729 -40.9669 -40.9669 -40.9626 -40.9626 -40.8501 -40.8501 -40.8419 -40.8419 -16.1290 -16.1290 -15.7999 -15.7999 -15.6679 -15.6679 -15.6555 -15.6555 0.3637 0.3637 0.5718 0.5718 1.3240 1.3240 1.3381 1.3381 1.8712 1.8712 2.1092 2.1092 2.5889 2.5889 2.5982 2.5982 2.7628 2.7628 3.4169 3.4169 3.4435 3.4435 3.8812 3.8812 5.6214 5.6214 5.7765 5.7765 5.8132 5.8132 5.9563 5.9563 6.0546 6.0546 6.7195 6.7195 6.8843 6.8843 7.9489 7.9489 8.0541 8.0541 8.5769 8.5769 10.4668 10.4668 15.9991 15.9991 16.1870 16.1870 16.5878 16.5878 k = 0.0000 0.0000 0.2178 ( 4291 PWs) bands (ev): -76.5521 -76.5521 -76.5517 -76.5517 -45.3765 -45.3765 -45.3731 -45.3731 -40.9673 -40.9673 -40.9631 -40.9631 -40.8500 -40.8500 -40.8419 -40.8419 -16.1226 -16.1226 -15.7985 -15.7985 -15.6696 -15.6696 -15.6574 -15.6574 0.3847 0.3847 0.5852 0.5852 1.3303 1.3303 1.3437 1.3437 1.8890 1.8890 2.0769 2.0769 2.5995 2.5995 2.6116 2.6116 2.7204 2.7204 3.3927 3.3927 3.4177 3.4177 3.8728 3.8728 5.6287 5.6287 5.7902 5.7902 5.8118 5.8118 5.9715 5.9715 6.0634 6.0634 6.7443 6.7443 6.8723 6.8723 7.9207 7.9207 8.0259 8.0259 8.5533 8.5533 10.5420 10.5420 16.0645 16.0645 16.2524 16.2524 16.5965 16.5965 k = 0.0000 0.0000 0.2334 ( 4287 PWs) bands (ev): -76.5520 -76.5520 -76.5517 -76.5517 -45.3767 -45.3767 -45.3733 -45.3733 -40.9678 -40.9678 -40.9636 -40.9636 -40.8498 -40.8498 -40.8419 -40.8419 -16.1158 -16.1158 -15.7972 -15.7972 -15.6713 -15.6713 -15.6594 -15.6594 0.4070 0.4070 0.5993 0.5993 1.3374 1.3374 1.3499 1.3499 1.9079 1.9079 2.0436 2.0436 2.6074 2.6074 2.6252 2.6252 2.6795 2.6795 3.3675 3.3675 3.3907 3.3907 3.8634 3.8634 5.6361 5.6361 5.8041 5.8041 5.8105 5.8105 5.9873 5.9873 6.0729 6.0729 6.7700 6.7700 6.8596 6.8596 7.8917 7.8917 7.9968 7.9968 8.5283 8.5283 10.6216 10.6216 16.1334 16.1334 16.3214 16.3214 16.6047 16.6047 k = 0.0000 0.0000 0.2489 ( 4283 PWs) bands (ev): -76.5520 -76.5520 -76.5516 -76.5516 -45.3768 -45.3768 -45.3735 -45.3735 -40.9683 -40.9683 -40.9642 -40.9642 -40.8496 -40.8496 -40.8418 -40.8418 -16.1086 -16.1086 -15.7958 -15.7958 -15.6731 -15.6731 -15.6615 -15.6615 0.4304 0.4304 0.6141 0.6141 1.3452 1.3452 1.3569 1.3569 1.9281 1.9281 2.0093 2.0093 2.6011 2.6011 2.6390 2.6390 2.6516 2.6516 3.3414 3.3414 3.3628 3.3628 3.8531 3.8531 5.6434 5.6434 5.8092 5.8092 5.8181 5.8181 6.0036 6.0036 6.0833 6.0833 6.7965 6.7965 6.8462 6.8462 7.8616 7.8616 7.9667 7.9667 8.5019 8.5019 10.7054 10.7054 16.2056 16.2056 16.3937 16.3937 16.6122 16.6122 k = 0.0000 0.0000 0.2645 ( 4280 PWs) bands (ev): -76.5520 -76.5520 -76.5516 -76.5516 -45.3769 -45.3769 -45.3736 -45.3736 -40.9687 -40.9687 -40.9648 -40.9648 -40.8495 -40.8495 -40.8418 -40.8418 -16.1011 -16.1011 -15.7945 -15.7945 -15.6750 -15.6750 -15.6636 -15.6636 0.4549 0.4549 0.6295 0.6295 1.3539 1.3539 1.3647 1.3647 1.9495 1.9495 1.9742 1.9742 2.5668 2.5668 2.6506 2.6506 2.6526 2.6526 3.3147 3.3147 3.3340 3.3340 3.8418 3.8418 5.6505 5.6505 5.8081 5.8081 5.8318 5.8318 6.0203 6.0203 6.0945 6.0945 6.8235 6.8235 6.8321 6.8321 7.8309 7.8309 7.9359 7.9359 8.4741 8.4741 10.7932 10.7932 16.2810 16.2810 16.4691 16.4691 16.6187 16.6187 k = 0.0000 0.0000 0.2800 ( 4292 PWs) bands (ev): -76.5520 -76.5520 -76.5516 -76.5516 -45.3770 -45.3770 -45.3739 -45.3739 -40.9692 -40.9692 -40.9653 -40.9653 -40.8493 -40.8493 -40.8418 -40.8418 -16.0933 -16.0933 -15.7932 -15.7932 -15.6770 -15.6770 -15.6659 -15.6659 0.4804 0.4804 0.6454 0.6454 1.3634 1.3634 1.3733 1.3733 1.9386 1.9386 1.9720 1.9720 2.5219 2.5219 2.6590 2.6590 2.6660 2.6660 3.2875 3.2875 3.3047 3.3047 3.8295 3.8295 5.6575 5.6575 5.8072 5.8072 5.8453 5.8453 6.0372 6.0372 6.1063 6.1063 6.8173 6.8173 6.8507 6.8507 7.7996 7.7996 7.9045 7.9045 8.4452 8.4452 10.8848 10.8848 16.3593 16.3593 16.5474 16.5474 16.6238 16.6238 k = 0.0000 0.0000 0.2956 ( 4292 PWs) bands (ev): -76.5519 -76.5519 -76.5515 -76.5515 -45.3772 -45.3772 -45.3741 -45.3741 -40.9698 -40.9698 -40.9660 -40.9660 -40.8491 -40.8491 -40.8418 -40.8418 -16.0852 -16.0852 -15.7919 -15.7919 -15.6789 -15.6789 -15.6681 -15.6681 0.5068 0.5068 0.6618 0.6618 1.3738 1.3738 1.3827 1.3827 1.9027 1.9027 1.9957 1.9957 2.4746 2.4746 2.6689 2.6689 2.6789 2.6789 3.2600 3.2600 3.2750 3.2750 3.8161 3.8161 5.6642 5.6642 5.8068 5.8068 5.8585 5.8585 6.0545 6.0545 6.1189 6.1189 6.8019 6.8019 6.8784 6.8784 7.7681 7.7681 7.8728 7.8728 8.4151 8.4151 10.9800 10.9800 16.4403 16.4403 16.6270 16.6270 16.6283 16.6283 k = 0.0000 0.0000 0.3111 ( 4284 PWs) bands (ev): -76.5519 -76.5519 -76.5515 -76.5515 -45.3773 -45.3773 -45.3743 -45.3743 -40.9703 -40.9703 -40.9666 -40.9666 -40.8489 -40.8489 -40.8418 -40.8418 -16.0768 -16.0768 -15.7907 -15.7907 -15.6810 -15.6810 -15.6705 -15.6705 0.5341 0.5341 0.6786 0.6786 1.3852 1.3852 1.3933 1.3933 1.8666 1.8666 2.0204 2.0204 2.4265 2.4265 2.6785 2.6785 2.6910 2.6910 3.2327 3.2327 3.2452 3.2452 3.8016 3.8016 5.6710 5.6710 5.8068 5.8068 5.8713 5.8713 6.0720 6.0720 6.1322 6.1322 6.7858 6.7858 6.9063 6.9063 7.7364 7.7364 7.8409 7.8409 8.3840 8.3840 11.0786 11.0786 16.5237 16.5237 16.6280 16.6280 16.7116 16.7116 k = 0.0000 0.0000 0.3267 ( 4276 PWs) bands (ev): -76.5518 -76.5518 -76.5515 -76.5515 -45.3774 -45.3774 -45.3745 -45.3745 -40.9708 -40.9708 -40.9672 -40.9672 -40.8487 -40.8487 -40.8418 -40.8418 -16.0682 -16.0682 -15.7896 -15.7896 -15.6830 -15.6830 -15.6729 -15.6729 0.5621 0.5621 0.6957 0.6957 1.3974 1.3974 1.4046 1.4046 1.8305 1.8305 2.0462 2.0462 2.3780 2.3780 2.6871 2.6871 2.7019 2.7019 3.2058 3.2058 3.2157 3.2157 3.7860 3.7860 5.6775 5.6775 5.8073 5.8073 5.8836 5.8836 6.0895 6.0895 6.1461 6.1461 6.7692 6.7692 6.9343 6.9343 7.7046 7.7046 7.8089 7.8089 8.3519 8.3519 11.1804 11.1804 16.6093 16.6093 16.6260 16.6260 16.7971 16.7971 k = 0.0000 0.0000 0.3423 ( 4280 PWs) bands (ev): -76.5518 -76.5518 -76.5515 -76.5515 -45.3776 -45.3776 -45.3747 -45.3747 -40.9714 -40.9714 -40.9678 -40.9678 -40.8485 -40.8485 -40.8418 -40.8418 -16.0594 -16.0594 -15.7886 -15.7886 -15.6851 -15.6851 -15.6753 -15.6753 0.5907 0.5907 0.7130 0.7130 1.4106 1.4106 1.4169 1.4169 1.7945 1.7945 2.0730 2.0730 2.3296 2.3296 2.6943 2.6943 2.7114 2.7114 3.1795 3.1795 3.1868 3.1868 3.7691 3.7691 5.6838 5.6838 5.8084 5.8084 5.8953 5.8953 6.1070 6.1070 6.1605 6.1605 6.7521 6.7521 6.9620 6.9620 7.6730 7.6730 7.7769 7.7769 8.3189 8.3189 11.2853 11.2853 16.6205 16.6205 16.6969 16.6969 16.8845 16.8845 k = 0.0000 0.0000 0.3578 ( 4280 PWs) bands (ev): -76.5518 -76.5518 -76.5514 -76.5514 -45.3777 -45.3777 -45.3749 -45.3749 -40.9719 -40.9719 -40.9685 -40.9685 -40.8483 -40.8483 -40.8417 -40.8417 -16.0503 -16.0503 -15.7877 -15.7877 -15.6872 -15.6872 -15.6777 -15.6777 0.6199 0.6199 0.7305 0.7305 1.4248 1.4248 1.4302 1.4302 1.7590 1.7590 2.1007 2.1007 2.2816 2.2816 2.6994 2.6994 2.7190 2.7190 3.1545 3.1545 3.1589 3.1589 3.7510 3.7510 5.6901 5.6901 5.8101 5.8101 5.9063 5.9063 6.1244 6.1244 6.1754 6.1754 6.7346 6.7346 6.9895 6.9895 7.6416 7.6416 7.7451 7.7451 8.2853 8.2853 11.3929 11.3929 16.6108 16.6108 16.7862 16.7862 16.9736 16.9736 k = 0.0000 0.0000 0.3734 ( 4288 PWs) bands (ev): -76.5517 -76.5517 -76.5514 -76.5514 -45.3778 -45.3778 -45.3751 -45.3751 -40.9724 -40.9724 -40.9691 -40.9691 -40.8480 -40.8480 -40.8417 -40.8417 -16.0411 -16.0411 -15.7869 -15.7869 -15.6893 -15.6893 -15.6801 -15.6801 0.6494 0.6494 0.7481 0.7481 1.4400 1.4400 1.4444 1.4444 1.7241 1.7241 2.1289 2.1289 2.2345 2.2345 2.7020 2.7020 2.7240 2.7240 3.1312 3.1312 3.1327 3.1327 3.7316 3.7316 5.6961 5.6961 5.8125 5.8125 5.9166 5.9166 6.1416 6.1416 6.1906 6.1906 6.7165 6.7165 7.0166 7.0166 7.6106 7.6106 7.7136 7.7136 8.2511 8.2511 11.5033 11.5033 16.5961 16.5961 16.8770 16.8770 17.0641 17.0641 k = 0.0000 0.0000 0.3889 ( 4292 PWs) bands (ev): -76.5517 -76.5517 -76.5514 -76.5514 -45.3780 -45.3780 -45.3754 -45.3754 -40.9730 -40.9730 -40.9698 -40.9698 -40.8478 -40.8478 -40.8417 -40.8417 -16.0318 -16.0318 -15.7864 -15.7864 -15.6913 -15.6913 -15.6826 -15.6826 0.6793 0.6793 0.7657 0.7657 1.4561 1.4561 1.4596 1.4596 1.6897 1.6897 2.1545 2.1545 2.1917 2.1917 2.7016 2.7016 2.7258 2.7258 3.1087 3.1087 3.1102 3.1102 3.7110 3.7110 5.7021 5.7021 5.8157 5.8157 5.9262 5.9262 6.1584 6.1584 6.2061 6.2061 6.6983 6.6983 7.0433 7.0433 7.5802 7.5802 7.6826 7.6826 8.2163 8.2163 11.6162 11.6162 16.5757 16.5757 16.9691 16.9691 17.1558 17.1558 k = 0.0000 0.0000 0.4045 ( 4296 PWs) bands (ev): -76.5517 -76.5517 -76.5514 -76.5514 -45.3781 -45.3781 -45.3756 -45.3756 -40.9735 -40.9735 -40.9704 -40.9704 -40.8476 -40.8476 -40.8417 -40.8417 -16.0223 -16.0223 -15.7859 -15.7859 -15.6934 -15.6934 -15.6850 -15.6850 0.7093 0.7093 0.7832 0.7832 1.4733 1.4733 1.4758 1.4758 1.6564 1.6564 2.1355 2.1355 2.1952 2.1952 2.6974 2.6974 2.7238 2.7238 3.0877 3.0877 3.0919 3.0919 3.6891 3.6891 5.7081 5.7081 5.8198 5.8198 5.9348 5.9348 6.1748 6.1748 6.2220 6.2220 6.6799 6.6799 7.0695 7.0695 7.5504 7.5504 7.6522 7.6522 8.1812 8.1812 11.7314 11.7314 16.5486 16.5486 17.0622 17.0622 17.2484 17.2484 k = 0.0000 0.0000 0.4200 ( 4296 PWs) bands (ev): -76.5516 -76.5516 -76.5514 -76.5514 -45.3782 -45.3782 -45.3758 -45.3758 -40.9740 -40.9740 -40.9711 -40.9711 -40.8474 -40.8474 -40.8418 -40.8418 -16.0127 -16.0127 -15.7857 -15.7857 -15.6954 -15.6954 -15.6874 -15.6874 0.7393 0.7393 0.8006 0.8006 1.4916 1.4916 1.4929 1.4929 1.6242 1.6242 2.0919 2.0919 2.2250 2.2250 2.6893 2.6893 2.7174 2.7174 3.0703 3.0703 3.0769 3.0769 3.6660 3.6660 5.7141 5.7141 5.8248 5.8248 5.9425 5.9425 6.1907 6.1907 6.2380 6.2380 6.6613 6.6613 7.0951 7.0951 7.5213 7.5213 7.6225 7.6225 8.1459 8.1459 11.8487 11.8487 16.5141 16.5141 17.1561 17.1561 17.3416 17.3416 k = 0.0000 0.0000 0.4356 ( 4316 PWs) bands (ev): -76.5516 -76.5516 -76.5514 -76.5514 -45.3784 -45.3784 -45.3760 -45.3760 -40.9745 -40.9745 -40.9717 -40.9717 -40.8472 -40.8472 -40.8418 -40.8418 -16.0031 -16.0031 -15.7857 -15.7857 -15.6974 -15.6974 -15.6898 -15.6898 0.7692 0.7692 0.8177 0.8177 1.5106 1.5106 1.5108 1.5108 1.5935 1.5935 2.0479 2.0479 2.2570 2.2570 2.6769 2.6769 2.7061 2.7061 3.0567 3.0567 3.0651 3.0651 3.6416 3.6416 5.7200 5.7200 5.8308 5.8308 5.9491 5.9491 6.2058 6.2058 6.2541 6.2541 6.6425 6.6425 7.1199 7.1199 7.4932 7.4932 7.5937 7.5937 8.1103 8.1103 11.9681 11.9681 16.4717 16.4717 17.2504 17.2504 17.4352 17.4352 k = 0.0000 0.0000 0.4512 ( 4308 PWs) bands (ev): -76.5515 -76.5515 -76.5513 -76.5513 -45.3785 -45.3785 -45.3763 -45.3763 -40.9750 -40.9750 -40.9723 -40.9723 -40.8469 -40.8469 -40.8418 -40.8418 -15.9935 -15.9935 -15.7859 -15.7859 -15.6994 -15.6994 -15.6921 -15.6921 0.7988 0.7988 0.8346 0.8346 1.5278 1.5278 1.5311 1.5311 1.5659 1.5659 2.0048 2.0048 2.2902 2.2902 2.6605 2.6605 2.6901 2.6901 3.0473 3.0473 3.0568 3.0568 3.6159 3.6159 5.7261 5.7261 5.8378 5.8378 5.9550 5.9550 6.2202 6.2202 6.2703 6.2703 6.6241 6.6241 7.1439 7.1439 7.4660 7.4660 7.5659 7.5659 8.0750 8.0750 12.0894 12.0894 16.4208 16.4208 17.3450 17.3450 17.5289 17.5289 k = 0.0000 0.0000 0.4667 ( 4324 PWs) bands (ev): -76.5515 -76.5515 -76.5513 -76.5513 -45.3786 -45.3786 -45.3765 -45.3765 -40.9755 -40.9755 -40.9729 -40.9729 -40.8467 -40.8467 -40.8418 -40.8418 -15.9838 -15.9838 -15.7863 -15.7863 -15.7013 -15.7013 -15.6944 -15.6944 0.8279 0.8279 0.8509 0.8509 1.5277 1.5277 1.5523 1.5523 1.5578 1.5578 1.9628 1.9628 2.3243 2.3243 2.6401 2.6401 2.6694 2.6694 3.0415 3.0415 3.0515 3.0515 3.5890 3.5890 5.7322 5.7322 5.8458 5.8458 5.9595 5.9595 6.2332 6.2332 6.2865 6.2865 6.6056 6.6056 7.1670 7.1670 7.4399 7.4399 7.5391 7.5391 8.0397 8.0397 12.2125 12.2125 16.3610 16.3610 17.4394 17.4394 17.6224 17.6224 k = 0.0000 0.0000 0.4823 ( 4332 PWs) bands (ev): -76.5515 -76.5515 -76.5513 -76.5513 -45.3787 -45.3787 -45.3767 -45.3767 -40.9760 -40.9760 -40.9735 -40.9735 -40.8465 -40.8465 -40.8418 -40.8418 -15.9742 -15.9742 -15.7870 -15.7870 -15.7031 -15.7031 -15.6966 -15.6966 0.8565 0.8565 0.8670 0.8670 1.5043 1.5043 1.5746 1.5746 1.5757 1.5757 1.9220 1.9220 2.3591 2.3591 2.6163 2.6163 2.6448 2.6448 3.0389 3.0389 3.0490 3.0490 3.5609 3.5609 5.7384 5.7384 5.8548 5.8548 5.9631 5.9631 6.2450 6.2450 6.3025 6.3025 6.5880 6.5880 7.1890 7.1890 7.4149 7.4149 7.5138 7.5138 8.0047 8.0047 12.3371 12.3371 16.2926 16.2926 17.5336 17.5336 17.7153 17.7153 k = 0.0000 0.0000 0.4978 ( 4332 PWs) bands (ev): -76.5514 -76.5514 -76.5513 -76.5513 -45.3788 -45.3788 -45.3769 -45.3769 -40.9764 -40.9764 -40.9741 -40.9741 -40.8463 -40.8463 -40.8419 -40.8419 -15.9646 -15.9646 -15.7880 -15.7880 -15.7048 -15.7048 -15.6988 -15.6988 0.8825 0.8825 0.8842 0.8842 1.4799 1.4799 1.5974 1.5974 1.5979 1.5979 1.8826 1.8826 2.3943 2.3943 2.5900 2.5900 2.6168 2.6168 3.0388 3.0388 3.0485 3.0485 3.5317 3.5317 5.7451 5.7451 5.8648 5.8648 5.9656 5.9656 6.2552 6.2552 6.3184 6.3184 6.5712 6.5712 7.2098 7.2098 7.3912 7.3912 7.4901 7.4901 7.9702 7.9702 12.4633 12.4633 16.2156 16.2156 17.6269 17.6269 17.8074 17.8074 k = 0.0000 0.0000 0.5134 ( 4332 PWs) bands (ev): -76.5514 -76.5514 -76.5513 -76.5513 -45.3789 -45.3789 -45.3771 -45.3771 -40.9768 -40.9768 -40.9747 -40.9747 -40.8460 -40.8460 -40.8419 -40.8419 -15.9551 -15.9551 -15.7892 -15.7892 -15.7065 -15.7065 -15.7008 -15.7008 0.8975 0.8975 0.9108 0.9108 1.4572 1.4572 1.6206 1.6206 1.6222 1.6222 1.8445 1.8445 2.4297 2.4297 2.5617 2.5617 2.5862 2.5862 3.0407 3.0407 3.0498 3.0498 3.5012 3.5012 5.7521 5.7521 5.8758 5.8758 5.9669 5.9669 6.2634 6.2634 6.3341 6.3341 6.5554 6.5554 7.2291 7.2291 7.3687 7.3687 7.4683 7.4683 7.9361 7.9361 12.5908 12.5908 16.1305 16.1305 17.7192 17.7192 17.8981 17.8981 k = 0.0000 0.0000 0.5289 ( 4348 PWs) bands (ev): -76.5514 -76.5514 -76.5513 -76.5513 -45.3790 -45.3790 -45.3773 -45.3773 -40.9772 -40.9772 -40.9752 -40.9752 -40.8458 -40.8458 -40.8420 -40.8420 -15.9456 -15.9456 -15.7908 -15.7908 -15.7081 -15.7081 -15.7028 -15.7028 0.9118 0.9118 0.9360 0.9360 1.4364 1.4364 1.6448 1.6448 1.6473 1.6473 1.8079 1.8079 2.4631 2.4631 2.5340 2.5340 2.5536 2.5536 3.0438 3.0438 3.0522 3.0522 3.4696 3.4696 5.7594 5.7594 5.8877 5.8877 5.9670 5.9670 6.2691 6.2691 6.3494 6.3494 6.5412 6.5412 7.2463 7.2463 7.3475 7.3475 7.4489 7.4489 7.9027 7.9027 12.7196 12.7196 16.0380 16.0380 17.8098 17.8098 17.9870 17.9870 k = 0.0000 0.0000 0.5445 ( 4356 PWs) bands (ev): -76.5514 -76.5514 -76.5513 -76.5513 -45.3790 -45.3790 -45.3775 -45.3775 -40.9776 -40.9776 -40.9757 -40.9757 -40.8456 -40.8456 -40.8420 -40.8420 -15.9363 -15.9363 -15.7926 -15.7926 -15.7096 -15.7096 -15.7047 -15.7047 0.9255 0.9255 0.9596 0.9596 1.4181 1.4181 1.6700 1.6700 1.6733 1.6733 1.7728 1.7728 2.4784 2.4784 2.5194 2.5194 2.5236 2.5236 3.0479 3.0479 3.0555 3.0555 3.4371 3.4371 5.7670 5.7670 5.9006 5.9006 5.9660 5.9660 6.2720 6.2720 6.3644 6.3644 6.5287 6.5287 7.2609 7.2609 7.3278 7.3278 7.4329 7.4329 7.8700 7.8700 12.8495 12.8495 15.9386 15.9386 17.8981 17.8981 18.0737 18.0737 k = 0.0000 0.0000 0.5601 ( 4356 PWs) bands (ev): -76.5514 -76.5514 -76.5513 -76.5513 -45.3791 -45.3791 -45.3777 -45.3777 -40.9779 -40.9779 -40.9762 -40.9762 -40.8454 -40.8454 -40.8421 -40.8421 -15.9272 -15.9272 -15.7948 -15.7948 -15.7110 -15.7110 -15.7065 -15.7065 0.9386 0.9386 0.9813 0.9813 1.4026 1.4026 1.6962 1.6962 1.7004 1.7004 1.7391 1.7391 2.4550 2.4550 2.4841 2.4841 2.5514 2.5514 3.0524 3.0524 3.0592 3.0592 3.4036 3.4036 5.7750 5.7750 5.9145 5.9145 5.9639 5.9639 6.2718 6.2718 6.3789 6.3789 6.5184 6.5184 7.2718 7.2718 7.3097 7.3097 7.4214 7.4214 7.8382 7.8382 12.9804 12.9804 15.8333 15.8333 17.9836 17.9836 18.1575 18.1575 k = 0.0000 0.0000 0.5756 ( 4348 PWs) bands (ev): -76.5513 -76.5513 -76.5512 -76.5512 -45.3792 -45.3792 -45.3779 -45.3779 -40.9782 -40.9782 -40.9767 -40.9767 -40.8452 -40.8452 -40.8422 -40.8422 -15.9181 -15.9181 -15.7973 -15.7973 -15.7122 -15.7122 -15.7081 -15.7081 0.9511 0.9511 1.0006 1.0006 1.3903 1.3903 1.7068 1.7068 1.7233 1.7233 1.7283 1.7283 2.4225 2.4225 2.4481 2.4481 2.5880 2.5880 3.0572 3.0572 3.0633 3.0633 3.3691 3.3691 5.7834 5.7834 5.9293 5.9293 5.9607 5.9607 6.2683 6.2683 6.3928 6.3928 6.5103 6.5103 7.2779 7.2779 7.2931 7.2931 7.4157 7.4157 7.8073 7.8073 13.1122 13.1122 15.7228 15.7228 18.0651 18.0651 18.2379 18.2379 k = 0.0000 0.0000 0.5912 ( 4352 PWs) bands (ev): -76.5513 -76.5513 -76.5512 -76.5512 -45.3792 -45.3792 -45.3780 -45.3780 -40.9785 -40.9785 -40.9771 -40.9771 -40.8450 -40.8450 -40.8422 -40.8422 -15.9093 -15.9093 -15.8001 -15.8001 -15.7134 -15.7134 -15.7097 -15.7097 0.9629 0.9629 1.0172 1.0172 1.3814 1.3814 1.6759 1.6759 1.7512 1.7512 1.7569 1.7569 2.3881 2.3881 2.4115 2.4115 2.6263 2.6263 3.0619 3.0619 3.0673 3.0673 3.3338 3.3338 5.7921 5.7921 5.9448 5.9448 5.9565 5.9565 6.2615 6.2615 6.4061 6.4061 6.5044 6.5044 7.2781 7.2781 7.2785 7.2785 7.4162 7.4162 7.7773 7.7773 13.2448 13.2448 15.6077 15.6077 18.1413 18.1413 18.3139 18.3139 k = 0.0000 0.0000 0.6067 ( 4356 PWs) bands (ev): -76.5513 -76.5513 -76.5512 -76.5512 -45.3792 -45.3792 -45.3782 -45.3782 -40.9787 -40.9787 -40.9775 -40.9775 -40.8447 -40.8447 -40.8423 -40.8423 -15.9007 -15.9007 -15.8033 -15.8033 -15.7144 -15.7144 -15.7111 -15.7111 0.9740 0.9740 1.0307 1.0307 1.3763 1.3763 1.6465 1.6465 1.7798 1.7798 1.7862 1.7862 2.3530 2.3530 2.3747 2.3747 2.6655 2.6655 3.0665 3.0665 3.0711 3.0711 3.2976 3.2976 5.8013 5.8013 5.9511 5.9511 5.9611 5.9611 6.2516 6.2516 6.4187 6.4187 6.5005 6.5005 7.2647 7.2647 7.2746 7.2746 7.4225 7.4225 7.7483 7.7483 13.3781 13.3781 15.4887 15.4887 18.2107 18.2107 18.3848 18.3848 k = 0.0000 0.0000 0.6223 ( 4348 PWs) bands (ev): -76.5513 -76.5513 -76.5512 -76.5512 -45.3793 -45.3793 -45.3784 -45.3784 -40.9789 -40.9789 -40.9778 -40.9778 -40.8445 -40.8445 -40.8424 -40.8424 -15.8923 -15.8923 -15.8068 -15.8068 -15.7153 -15.7153 -15.7124 -15.7124 0.9844 0.9844 1.0411 1.0411 1.3750 1.3750 1.6183 1.6183 1.8091 1.8091 1.8162 1.8162 2.3177 2.3177 2.3379 2.3379 2.7051 2.7051 3.0708 3.0708 3.0748 3.0748 3.2608 3.2608 5.8108 5.8108 5.9450 5.9450 5.9782 5.9782 6.2390 6.2390 6.4305 6.4305 6.4981 6.4981 7.2531 7.2531 7.2677 7.2677 7.4331 7.4331 7.7206 7.7206 13.5120 13.5120 15.3664 15.3664 18.2720 18.2720 18.4256 18.4256 k = 0.0000 0.0000 0.6378 ( 4332 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3785 -45.3785 -40.9791 -40.9791 -40.9782 -40.9782 -40.8443 -40.8443 -40.8425 -40.8425 -15.8842 -15.8842 -15.8107 -15.8107 -15.7160 -15.7160 -15.7136 -15.7136 0.9943 0.9943 1.0483 1.0483 1.3776 1.3776 1.5916 1.5916 1.8389 1.8389 1.8466 1.8466 2.2827 2.2827 2.3015 2.3015 2.7451 2.7451 3.0747 3.0747 3.0781 3.0781 3.2233 3.2233 5.8206 5.8206 5.9382 5.9382 5.9959 5.9959 6.2243 6.2243 6.4416 6.4416 6.4968 6.4968 7.2433 7.2433 7.2593 7.2593 7.4465 7.4465 7.6939 7.6939 13.6464 13.6464 15.2414 15.2414 18.3253 18.3253 18.4702 18.4702 k = 0.0000 0.0000 0.6534 ( 4360 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3786 -45.3786 -40.9793 -40.9793 -40.9785 -40.9785 -40.8442 -40.8442 -40.8426 -40.8426 -15.8763 -15.8763 -15.8149 -15.8149 -15.7166 -15.7166 -15.7146 -15.7146 1.0034 1.0034 1.0523 1.0523 1.3838 1.3838 1.5658 1.5658 1.8689 1.8689 1.8771 1.8771 2.2480 2.2480 2.2654 2.2654 2.7853 2.7853 3.0780 3.0780 3.0808 3.0808 3.1851 3.1851 5.8305 5.8305 5.9303 5.9303 6.0140 6.0140 6.2077 6.2077 6.4515 6.4515 6.4957 6.4957 7.2350 7.2350 7.2506 7.2506 7.4618 7.4618 7.6681 7.6681 13.7811 13.7811 15.1140 15.1140 18.3729 18.3729 18.5184 18.5184 k = 0.0000 0.0000 0.6690 ( 4360 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3787 -45.3787 -40.9793 -40.9793 -40.9787 -40.9787 -40.8440 -40.8440 -40.8428 -40.8428 -15.8687 -15.8687 -15.8195 -15.8195 -15.7171 -15.7171 -15.7155 -15.7155 1.0121 1.0121 1.0537 1.0537 1.3933 1.3933 1.5414 1.5414 1.8988 1.8988 1.9074 1.9074 2.2145 2.2145 2.2303 2.2303 2.8256 2.8256 3.0809 3.0809 3.0832 3.0832 3.1464 3.1464 5.8408 5.8408 5.9218 5.9218 6.0329 6.0329 6.1899 6.1899 6.4605 6.4605 6.4948 6.4948 7.2287 7.2287 7.2424 7.2424 7.4784 7.4784 7.6433 7.6433 13.9160 13.9160 14.9848 14.9848 18.4176 18.4176 18.5661 18.5661 k = 0.0000 0.0000 0.6845 ( 4360 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3788 -45.3788 -40.9794 -40.9794 -40.9789 -40.9789 -40.8438 -40.8438 -40.8429 -40.8429 -15.8614 -15.8614 -15.8245 -15.8245 -15.7174 -15.7174 -15.7162 -15.7162 1.0202 1.0202 1.0528 1.0528 1.4056 1.4056 1.5181 1.5181 1.9279 1.9279 1.9365 1.9365 2.1829 2.1829 2.1969 2.1969 2.8661 2.8661 3.0830 3.0830 3.0850 3.0850 3.1075 3.1075 5.8512 5.8512 5.9127 5.9127 6.0522 6.0522 6.1711 6.1711 6.4684 6.4684 6.4936 6.4936 7.2243 7.2243 7.2352 7.2352 7.4961 7.4961 7.6196 7.6196 14.0509 14.0509 14.8540 14.8540 18.4614 18.4614 18.6101 18.6101 k = 0.0000 0.0000 0.7001 ( 4376 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9794 -40.9794 -40.9791 -40.9791 -40.8436 -40.8436 -40.8430 -40.8430 -15.8544 -15.8544 -15.8298 -15.8298 -15.7176 -15.7176 -15.7168 -15.7168 1.0277 1.0277 1.0501 1.0501 1.4202 1.4202 1.4959 1.4959 1.9548 1.9548 1.9625 1.9625 2.1552 2.1552 2.1665 2.1665 2.9066 2.9066 3.0670 3.0670 3.0857 3.0857 3.0862 3.0862 5.8617 5.8617 5.9029 5.9029 6.0718 6.0718 6.1516 6.1516 6.4752 6.4752 6.4917 6.4917 7.2217 7.2217 7.2293 7.2293 7.5146 7.5146 7.5968 7.5968 14.1859 14.1859 14.7219 14.7219 18.5048 18.5048 18.6258 18.6258 k = 0.0000 0.0000 0.7156 ( 4376 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9794 -40.9794 -40.9792 -40.9792 -40.8435 -40.8435 -40.8432 -40.8432 -15.8478 -15.8478 -15.8354 -15.8354 -15.7177 -15.7177 -15.7173 -15.7173 1.0346 1.0346 1.0460 1.0460 1.4369 1.4369 1.4749 1.4749 1.9766 1.9766 1.9817 1.9817 2.1355 2.1355 2.1424 2.1424 2.9470 2.9470 3.0274 3.0274 3.0865 3.0865 3.0869 3.0869 5.8722 5.8722 5.8930 5.8930 6.0918 6.0918 6.1318 6.1318 6.4809 6.4809 6.4891 6.4891 7.2209 7.2209 7.2248 7.2248 7.5339 7.5339 7.5750 7.5750 14.3206 14.3206 14.5888 14.5888 18.5474 18.5474 18.6149 18.6149 k = 0.0000 0.0000 0.7312 ( 4368 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8414 -15.8414 -15.8414 -15.8414 -15.7175 -15.7175 -15.7175 -15.7175 1.0407 1.0407 1.0407 1.0407 1.4552 1.4552 1.4552 1.4552 1.9874 1.9874 1.9874 1.9874 2.1303 2.1303 2.1303 2.1303 2.9873 2.9873 2.9873 2.9873 3.0870 3.0870 3.0870 3.0870 5.8827 5.8827 5.8827 5.8827 6.1118 6.1118 6.1118 6.1118 6.4856 6.4856 6.4856 6.4856 7.2221 7.2221 7.2221 7.2221 7.5540 7.5540 7.5540 7.5540 14.4550 14.4550 14.4550 14.4550 18.5862 18.5862 18.5862 18.5862 k = 0.0000 0.0000 0.7312 ( 4368 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8414 -15.8414 -15.8414 -15.8414 -15.7175 -15.7175 -15.7175 -15.7175 1.0407 1.0407 1.0407 1.0407 1.4552 1.4552 1.4552 1.4552 1.9874 1.9874 1.9874 1.9874 2.1303 2.1303 2.1303 2.1303 2.9873 2.9873 2.9873 2.9873 3.0870 3.0870 3.0870 3.0870 5.8827 5.8827 5.8827 5.8827 6.1118 6.1118 6.1118 6.1118 6.4856 6.4856 6.4856 6.4856 7.2221 7.2221 7.2221 7.2221 7.5540 7.5540 7.5540 7.5540 14.4550 14.4550 14.4550 14.4550 18.5862 18.5862 18.5862 18.5862 k = 0.0000 0.0156 0.7312 ( 4368 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3791 -45.3791 -45.3791 -45.3791 -40.9794 -40.9794 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8415 -15.8415 -15.8412 -15.8412 -15.7177 -15.7177 -15.7175 -15.7175 1.0410 1.0410 1.0415 1.0415 1.4535 1.4535 1.4539 1.4539 1.9878 1.9878 1.9892 1.9892 2.1288 2.1288 2.1309 2.1309 2.9869 2.9869 2.9888 2.9888 3.0864 3.0864 3.0878 3.0878 5.8823 5.8823 5.8828 5.8828 6.1036 6.1036 6.1182 6.1182 6.4787 6.4787 6.4932 6.4932 7.2120 7.2120 7.2228 7.2228 7.5534 7.5534 7.5650 7.5650 14.4555 14.4555 14.4566 14.4566 18.5263 18.5263 18.5859 18.5859 k = 0.0000 0.0312 0.7312 ( 4364 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9795 -40.9795 -40.9792 -40.9792 -40.8433 -40.8433 -40.8433 -40.8433 -15.8414 -15.8414 -15.8408 -15.8408 -15.7181 -15.7181 -15.7175 -15.7175 1.0422 1.0422 1.0433 1.0433 1.4491 1.4491 1.4499 1.4499 1.9904 1.9904 1.9930 1.9930 2.1266 2.1266 2.1309 2.1309 2.9875 2.9875 2.9913 2.9913 3.0862 3.0862 3.0889 3.0889 5.8817 5.8817 5.8827 5.8827 6.0938 6.0938 6.1227 6.1227 6.4729 6.4729 6.5016 6.5016 7.1944 7.1944 7.2142 7.2142 7.5633 7.5633 7.5846 7.5846 14.4582 14.4582 14.4603 14.4603 18.4541 18.4541 18.5185 18.5185 k = 0.0000 0.0469 0.7312 ( 4356 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9795 -40.9795 -40.9792 -40.9792 -40.8433 -40.8433 -40.8433 -40.8433 -15.8412 -15.8412 -15.8403 -15.8403 -15.7186 -15.7186 -15.7178 -15.7178 1.0446 1.0446 1.0461 1.0461 1.4420 1.4420 1.4431 1.4431 1.9950 1.9950 1.9986 1.9986 2.1236 2.1236 2.1303 2.1303 2.9890 2.9890 2.9945 2.9945 3.0865 3.0865 3.0904 3.0904 5.8806 5.8806 5.8825 5.8825 6.0824 6.0824 6.1252 6.1252 6.4681 6.4681 6.5105 6.5105 7.1714 7.1714 7.1977 7.1977 7.5820 7.5820 7.6107 7.6107 14.4629 14.4629 14.4661 14.4661 18.3763 18.3763 18.4368 18.4368 k = 0.0000 0.0625 0.7312 ( 4348 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9796 -40.9796 -40.9791 -40.9791 -40.8433 -40.8433 -40.8433 -40.8433 -15.8408 -15.8408 -15.8396 -15.8396 -15.7193 -15.7193 -15.7181 -15.7181 1.0479 1.0479 1.0499 1.0499 1.4327 1.4327 1.4339 1.4339 2.0013 2.0013 2.0055 2.0055 2.1201 2.1201 2.1293 2.1293 2.9911 2.9911 2.9978 2.9978 3.0878 3.0878 3.0926 3.0926 5.8792 5.8792 5.8820 5.8820 6.0697 6.0697 6.1260 6.1260 6.4645 6.4645 6.5198 6.5198 7.1449 7.1449 7.1757 7.1757 7.6073 7.6073 7.6412 7.6412 14.4699 14.4699 14.4741 14.4741 18.2940 18.2940 18.3492 18.3492 k = 0.0000 0.0781 0.7312 ( 4348 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9797 -40.9797 -40.9790 -40.9790 -40.8434 -40.8434 -40.8433 -40.8433 -15.8403 -15.8403 -15.8388 -15.8388 -15.7201 -15.7201 -15.7187 -15.7187 1.0521 1.0521 1.0546 1.0546 1.4213 1.4213 1.4225 1.4225 2.0086 2.0086 2.0130 2.0130 2.1163 2.1163 2.1283 2.1283 2.9933 2.9933 3.0008 3.0008 3.0906 3.0906 3.0958 3.0958 5.8772 5.8772 5.8814 5.8814 6.0557 6.0557 6.1248 6.1248 6.4621 6.4621 6.5292 6.5292 7.1163 7.1163 7.1498 7.1498 7.6373 7.6373 7.6747 7.6747 14.4789 14.4789 14.4842 14.4842 18.2077 18.2077 18.2573 18.2573 k = 0.0000 0.0938 0.7312 ( 4336 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3789 -45.3789 -40.9797 -40.9797 -40.9790 -40.9790 -40.8434 -40.8434 -40.8432 -40.8432 -15.8397 -15.8397 -15.8378 -15.8378 -15.7210 -15.7210 -15.7193 -15.7193 1.0574 1.0574 1.0603 1.0603 1.4082 1.4082 1.4094 1.4094 2.0163 2.0163 2.0204 2.0204 2.1127 2.1127 2.1280 2.1280 2.9951 2.9951 3.0028 3.0028 3.0956 3.0956 3.1005 3.1005 5.8745 5.8745 5.8807 5.8807 6.0406 6.0406 6.1220 6.1220 6.4608 6.4608 6.5387 6.5387 7.0868 7.0868 7.1219 7.1219 7.6705 7.6705 7.7103 7.7103 14.4902 14.4902 14.4965 14.4965 18.1178 18.1178 18.1618 18.1618 k = 0.0000 0.1094 0.7312 ( 4340 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3789 -45.3789 -40.9798 -40.9798 -40.9789 -40.9789 -40.8434 -40.8434 -40.8432 -40.8432 -15.8389 -15.8389 -15.8368 -15.8368 -15.7221 -15.7221 -15.7201 -15.7201 1.0635 1.0635 1.0667 1.0667 1.3939 1.3939 1.3948 1.3948 2.0232 2.0232 2.0266 2.0266 2.1101 2.1101 2.1289 2.1289 2.9961 2.9961 3.0031 3.0031 3.1033 3.1033 3.1071 3.1071 5.8711 5.8711 5.8797 5.8797 6.0246 6.0246 6.1178 6.1178 6.4603 6.4603 6.5480 6.5480 7.0568 7.0568 7.0928 7.0928 7.7056 7.7056 7.7470 7.7470 14.5036 14.5036 14.5109 14.5109 18.0246 18.0246 18.0633 18.0633 k = 0.0000 0.1250 0.7312 ( 4352 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3789 -45.3789 -40.9799 -40.9799 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8379 -15.8379 -15.8355 -15.8355 -15.7233 -15.7233 -15.7211 -15.7211 1.0705 1.0705 1.0740 1.0740 1.3786 1.3786 1.3791 1.3791 2.0278 2.0278 2.0305 2.0305 2.1098 2.1098 2.1319 2.1319 2.9957 2.9957 3.0015 3.0015 3.1137 3.1137 3.1159 3.1159 5.8668 5.8668 5.8784 5.8784 6.0078 6.0078 6.1125 6.1125 6.4607 6.4607 6.5572 6.5572 7.0269 7.0269 7.0634 7.0634 7.7419 7.7419 7.7844 7.7844 14.5193 14.5193 14.5275 14.5275 17.9287 17.9287 17.9622 17.9622 k = 0.0000 0.1406 0.7312 ( 4344 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3788 -45.3788 -40.9799 -40.9799 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8369 -15.8369 -15.8342 -15.8342 -15.7246 -15.7246 -15.7222 -15.7222 1.0784 1.0784 1.0820 1.0820 1.3627 1.3627 1.3628 1.3628 2.0287 2.0287 2.0313 2.0313 2.1131 2.1131 2.1378 2.1378 2.9939 2.9939 2.9981 2.9981 3.1268 3.1268 3.1272 3.1272 5.8617 5.8617 5.8770 5.8770 5.9907 5.9907 6.1064 6.1064 6.4619 6.4619 6.5661 6.5661 6.9975 6.9975 7.0340 7.0340 7.7791 7.7791 7.8223 7.8223 14.5371 14.5371 14.5464 14.5464 17.8304 17.8304 17.8591 17.8591 k = 0.0000 0.1562 0.7312 ( 4340 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8357 -15.8357 -15.8327 -15.8327 -15.7261 -15.7261 -15.7234 -15.7234 1.0871 1.0871 1.0906 1.0906 1.3460 1.3460 1.3466 1.3466 2.0253 2.0253 2.0288 2.0288 2.1203 2.1203 2.1465 2.1465 2.9906 2.9906 2.9931 2.9931 3.1406 3.1406 3.1422 3.1422 5.8554 5.8554 5.8750 5.8750 5.9733 5.9733 6.0999 6.0999 6.4635 6.4635 6.5746 6.5746 6.9688 6.9688 7.0053 7.0053 7.8166 7.8166 7.8602 7.8602 14.5573 14.5573 14.5674 14.5674 17.7302 17.7302 17.7545 17.7545 k = 0.0000 0.1719 0.7312 ( 4336 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8343 -15.8343 -15.8310 -15.8310 -15.7277 -15.7277 -15.7248 -15.7248 1.0964 1.0964 1.0997 1.0997 1.3291 1.3291 1.3306 1.3306 2.0182 2.0182 2.0232 2.0232 2.1308 2.1308 2.1576 2.1576 2.9859 2.9859 2.9868 2.9868 3.1561 3.1561 3.1595 3.1595 5.8481 5.8481 5.8723 5.8723 5.9561 5.9561 6.0932 6.0932 6.4654 6.4654 6.5826 6.5826 6.9411 6.9411 6.9773 6.9773 7.8541 7.8541 7.8979 7.8979 14.5797 14.5797 14.5907 14.5907 17.6285 17.6285 17.6487 17.6487 k = 0.0000 0.1875 0.7312 ( 4332 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3794 -45.3794 -45.3788 -45.3788 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8328 -15.8328 -15.8293 -15.8293 -15.7294 -15.7294 -15.7263 -15.7263 1.1061 1.1061 1.1090 1.1090 1.3126 1.3126 1.3151 1.3151 2.0082 2.0082 2.0151 2.0151 2.1435 2.1435 2.1705 2.1705 2.9794 2.9794 2.9801 2.9801 3.1734 3.1734 3.1784 3.1784 5.8396 5.8396 5.8685 5.8685 5.9397 5.9397 6.0866 6.0866 6.4675 6.4675 6.5901 6.5901 6.9145 6.9145 6.9503 6.9503 7.8912 7.8912 7.9351 7.9351 14.6044 14.6044 14.6162 14.6162 17.5258 17.5258 17.5421 17.5421 k = 0.0000 0.2031 0.7312 ( 4324 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3794 -45.3794 -45.3787 -45.3787 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8312 -15.8312 -15.8274 -15.8274 -15.7312 -15.7312 -15.7279 -15.7279 1.1161 1.1161 1.1181 1.1181 1.2967 1.2967 1.3007 1.3007 1.9960 1.9960 2.0051 2.0051 2.1576 2.1576 2.1845 2.1845 2.9711 2.9711 2.9732 2.9732 3.1920 3.1920 3.1986 3.1986 5.8300 5.8300 5.8627 5.8627 5.9249 5.9249 6.0803 6.0803 6.4696 6.4696 6.5969 6.5969 6.8892 6.8892 6.9246 6.9246 7.9278 7.9278 7.9717 7.9717 14.6315 14.6315 14.6441 14.6441 17.4223 17.4223 17.4352 17.4352 k = 0.0000 0.2188 0.7312 ( 4324 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8295 -15.8295 -15.8254 -15.8254 -15.7332 -15.7332 -15.7297 -15.7297 1.1258 1.1258 1.1267 1.1267 1.2821 1.2821 1.2878 1.2878 1.9823 1.9823 1.9934 1.9934 2.1725 2.1725 2.1993 2.1993 2.9621 2.9621 2.9654 2.9654 3.2118 3.2118 3.2196 3.2196 5.8193 5.8193 5.8541 5.8541 5.9128 5.9128 6.0745 6.0745 6.4715 6.4715 6.6030 6.6030 6.8651 6.8651 6.9003 6.9003 7.9637 7.9637 8.0074 8.0074 14.6609 14.6609 14.6743 14.6743 17.3186 17.3186 17.3283 17.3283 k = 0.0000 0.2344 0.7312 ( 4320 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8431 -40.8431 -15.8277 -15.8277 -15.8233 -15.8233 -15.7352 -15.7352 -15.7315 -15.7315 1.1341 1.1341 1.1348 1.1348 1.2695 1.2695 1.2772 1.2772 1.9672 1.9672 1.9803 1.9803 2.1879 2.1879 2.2145 2.2145 2.9525 2.9525 2.9569 2.9569 3.2325 3.2325 3.2414 3.2414 5.8076 5.8076 5.8422 5.8422 5.9039 5.9039 6.0692 6.0692 6.4732 6.4732 6.6082 6.6082 6.8426 6.8426 6.8776 6.8776 7.9987 7.9987 8.0422 8.0422 14.6927 14.6927 14.7068 14.7068 17.2148 17.2148 17.2216 17.2216 k = 0.0000 0.2500 0.7312 ( 4312 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8434 -40.8434 -40.8431 -40.8431 -15.8257 -15.8257 -15.8211 -15.8211 -15.7374 -15.7374 -15.7335 -15.7335 1.1392 1.1392 1.1420 1.1420 1.2598 1.2598 1.2701 1.2701 1.9510 1.9510 1.9662 1.9662 2.2035 2.2035 2.2299 2.2299 2.9423 2.9423 2.9478 2.9478 3.2537 3.2537 3.2636 3.2636 5.7951 5.7951 5.8275 5.8275 5.8980 5.8980 6.0645 6.0645 6.4745 6.4745 6.6124 6.6124 6.8216 6.8216 6.8566 6.8566 8.0326 8.0326 8.0758 8.0758 14.7270 14.7270 14.7417 14.7417 17.1113 17.1113 17.1155 17.1155 k = 0.0000 0.2656 0.7312 ( 4312 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8434 -40.8434 -40.8431 -40.8431 -15.8237 -15.8237 -15.8188 -15.8188 -15.7396 -15.7396 -15.7356 -15.7356 1.1412 1.1412 1.1461 1.1461 1.2545 1.2545 1.2671 1.2671 1.9339 1.9339 1.9511 1.9511 2.2191 2.2191 2.2453 2.2453 2.9319 2.9319 2.9383 2.9383 3.2753 3.2753 3.2860 3.2860 5.7819 5.7819 5.8110 5.8110 5.8940 5.8940 6.0603 6.0603 6.4754 6.4754 6.6155 6.6155 6.8022 6.8022 6.8376 6.8376 8.0652 8.0652 8.1081 8.1081 14.7637 14.7637 14.7790 14.7790 17.0084 17.0084 17.0101 17.0101 k = 0.0000 0.2812 0.7312 ( 4316 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3786 -45.3786 -40.9804 -40.9804 -40.9783 -40.9783 -40.8435 -40.8435 -40.8431 -40.8431 -15.8215 -15.8215 -15.8164 -15.8164 -15.7420 -15.7420 -15.7378 -15.7378 1.1398 1.1398 1.1462 1.1462 1.2546 1.2546 1.2689 1.2689 1.9160 1.9160 1.9352 1.9352 2.2347 2.2347 2.2606 2.2606 2.9211 2.9211 2.9284 2.9284 3.2970 3.2970 3.3083 3.3083 5.7681 5.7681 5.7936 5.7936 5.8912 5.8912 6.0567 6.0567 6.4758 6.4758 6.6174 6.6174 6.7845 6.7845 6.8206 6.8206 8.0964 8.0964 8.1390 8.1390 14.8028 14.8028 14.8187 14.8187 16.9058 16.9058 16.9063 16.9063 k = 0.0000 0.2969 0.7312 ( 4306 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3786 -45.3786 -40.9804 -40.9804 -40.9783 -40.9783 -40.8435 -40.8435 -40.8431 -40.8431 -15.8193 -15.8193 -15.8139 -15.8139 -15.7444 -15.7444 -15.7401 -15.7401 1.1353 1.1353 1.1424 1.1424 1.2600 1.2600 1.2751 1.2751 1.8976 1.8976 1.9187 1.9187 2.2500 2.2500 2.2756 2.2756 2.9103 2.9103 2.9183 2.9183 3.3185 3.3185 3.3304 3.3304 5.7542 5.7542 5.7760 5.7760 5.8893 5.8893 6.0537 6.0537 6.4757 6.4757 6.6182 6.6182 6.7685 6.7685 6.8059 6.8059 8.1262 8.1262 8.1684 8.1684 14.8445 14.8445 14.8609 14.8609 16.8026 16.8026 16.8051 16.8051 k = 0.0000 0.3125 0.7312 ( 4302 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9805 -40.9805 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8169 -15.8169 -15.8114 -15.8114 -15.7469 -15.7469 -15.7425 -15.7425 1.1286 1.1286 1.1356 1.1356 1.2697 1.2697 1.2846 1.2846 1.8786 1.8786 1.9017 1.9017 2.2649 2.2649 2.2902 2.2902 2.8994 2.8994 2.9081 2.9081 3.3396 3.3396 3.3519 3.3519 5.7401 5.7401 5.7586 5.7586 5.8877 5.8877 6.0511 6.0511 6.4750 6.4750 6.6175 6.6175 6.7542 6.7542 6.7934 6.7934 8.1543 8.1543 8.1961 8.1961 14.8887 14.8887 14.9055 14.9055 16.7007 16.7007 16.7052 16.7052 k = 0.0000 0.3281 0.7312 ( 4298 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9805 -40.9805 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8145 -15.8145 -15.8087 -15.8087 -15.7494 -15.7494 -15.7450 -15.7450 1.1205 1.1205 1.1273 1.1273 1.2823 1.2823 1.2967 1.2967 1.8592 1.8592 1.8843 1.8843 2.2794 2.2794 2.3044 2.3044 2.8885 2.8885 2.8979 2.8979 3.3600 3.3600 3.3728 3.3728 5.7263 5.7263 5.7416 5.7416 5.8865 5.8865 6.0489 6.0489 6.4740 6.4740 6.6157 6.6157 6.7415 6.7415 6.7832 6.7832 8.1806 8.1806 8.2220 8.2220 14.9354 14.9354 14.9525 14.9525 16.6004 16.6004 16.6065 16.6065 k = 0.0000 0.3438 0.7312 ( 4294 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9805 -40.9805 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8121 -15.8121 -15.8060 -15.8060 -15.7520 -15.7520 -15.7475 -15.7475 1.1120 1.1120 1.1182 1.1182 1.2968 1.2968 1.3103 1.3103 1.8396 1.8396 1.8668 1.8668 2.2934 2.2934 2.3180 2.3180 2.8779 2.8779 2.8878 2.8878 3.3796 3.3796 3.3926 3.3926 5.7128 5.7128 5.7253 5.7253 5.8855 5.8855 6.0471 6.0471 6.4723 6.4723 6.6127 6.6127 6.7305 6.7305 6.7750 6.7750 8.2050 8.2050 8.2460 8.2460 14.9847 14.9847 15.0021 15.0021 16.5017 16.5017 16.5094 16.5094 k = 0.0000 0.3594 0.7312 ( 4294 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.8095 -15.8095 -15.8032 -15.8032 -15.7547 -15.7547 -15.7502 -15.7502 1.1034 1.1034 1.1092 1.1092 1.3125 1.3125 1.3249 1.3249 1.8200 1.8200 1.8492 1.8492 2.3066 2.3066 2.3309 2.3309 2.8676 2.8676 2.8780 2.8780 3.3981 3.3981 3.4113 3.4113 5.6999 5.6999 5.7099 5.7099 5.8846 5.8846 6.0455 6.0455 6.4704 6.4704 6.6089 6.6089 6.7210 6.7210 6.7687 6.7687 8.2273 8.2273 8.2681 8.2681 15.0365 15.0365 15.0541 15.0541 16.4048 16.4048 16.4140 16.4140 k = 0.0000 0.3750 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.8070 -15.8070 -15.8004 -15.8004 -15.7574 -15.7574 -15.7529 -15.7529 1.0952 1.0952 1.1005 1.1005 1.3287 1.3287 1.3399 1.3399 1.8006 1.8006 1.8319 1.8319 2.3190 2.3190 2.3430 2.3430 2.8577 2.8577 2.8687 2.8687 3.4152 3.4152 3.4287 3.4287 5.6877 5.6877 5.6956 5.6956 5.8838 5.8838 6.0442 6.0442 6.4682 6.4682 6.6045 6.6045 6.7129 6.7129 6.7639 6.7639 8.2476 8.2476 8.2880 8.2880 15.0908 15.0908 15.1086 15.1086 16.3097 16.3097 16.3203 16.3203 k = 0.0000 0.3906 0.7312 ( 4294 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.8044 -15.8044 -15.7975 -15.7975 -15.7601 -15.7601 -15.7557 -15.7557 1.0876 1.0876 1.0926 1.0926 1.3452 1.3452 1.3550 1.3550 1.7816 1.7816 1.8151 1.8151 2.3305 2.3305 2.3542 2.3542 2.8485 2.8485 2.8599 2.8599 3.4309 3.4309 3.4445 3.4445 5.6766 5.6766 5.6827 5.6827 5.8832 5.8832 6.0431 6.0431 6.4660 6.4660 6.5999 6.5999 6.7062 6.7062 6.7605 6.7605 8.2657 8.2657 8.3058 8.3058 15.1477 15.1477 15.1655 15.1655 16.2167 16.2167 16.2285 16.2285 k = 0.0000 0.4062 0.7312 ( 4298 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.8018 -15.8018 -15.7946 -15.7946 -15.7628 -15.7628 -15.7585 -15.7585 1.0808 1.0808 1.0854 1.0854 1.3613 1.3613 1.3697 1.3697 1.7633 1.7633 1.7990 1.7990 2.3409 2.3409 2.3642 2.3642 2.8400 2.8400 2.8518 2.8518 3.4450 3.4450 3.4586 3.4586 5.6665 5.6665 5.6710 5.6710 5.8826 5.8826 6.0422 6.0422 6.4637 6.4637 6.5952 6.5952 6.7006 6.7006 6.7581 6.7581 8.2816 8.2816 8.3214 8.3214 15.2071 15.2071 15.2248 15.2248 16.1259 16.1259 16.1388 16.1388 k = 0.0000 0.4219 0.7312 ( 4298 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7992 -15.7992 -15.7917 -15.7917 -15.7655 -15.7655 -15.7614 -15.7614 1.0749 1.0749 1.0793 1.0793 1.3767 1.3767 1.3835 1.3835 1.7462 1.7462 1.7841 1.7841 2.3500 2.3500 2.3731 2.3731 2.8325 2.8325 2.8446 2.8446 3.4571 3.4571 3.4709 3.4709 5.6578 5.6578 5.6609 5.6609 5.8822 5.8822 6.0414 6.0414 6.4615 6.4615 6.5909 6.5909 6.6961 6.6961 6.7565 6.7565 8.2951 8.2951 8.3347 8.3347 15.2689 15.2689 15.2865 15.2865 16.0373 16.0373 16.0513 16.0513 k = 0.0000 0.4375 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7967 -15.7967 -15.7887 -15.7887 -15.7680 -15.7680 -15.7642 -15.7642 1.0699 1.0699 1.0741 1.0741 1.3908 1.3908 1.3959 1.3959 1.7307 1.7307 1.7709 1.7709 2.3578 2.3578 2.3806 2.3806 2.8261 2.8261 2.8384 2.8384 3.4673 3.4673 3.4811 3.4811 5.6505 5.6505 5.6526 5.6526 5.8819 5.8819 6.0409 6.0409 6.4597 6.4597 6.5872 6.5872 6.6927 6.6927 6.7554 6.7554 8.3064 8.3064 8.3457 8.3457 15.3331 15.3331 15.3503 15.3503 15.9511 15.9511 15.9663 15.9663 k = 0.0000 0.4531 0.7312 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7943 -15.7943 -15.7857 -15.7857 -15.7704 -15.7704 -15.7672 -15.7672 1.0660 1.0660 1.0701 1.0701 1.4030 1.4030 1.4064 1.4064 1.7175 1.7175 1.7597 1.7597 2.3639 2.3639 2.3866 2.3866 2.8209 2.8209 2.8334 2.8334 3.4754 3.4754 3.4892 3.4892 5.6446 5.6446 5.6459 5.6459 5.8816 5.8816 6.0404 6.0404 6.4581 6.4581 6.5841 6.5841 6.6900 6.6900 6.7547 6.7547 8.3151 8.3151 8.3543 8.3543 15.3993 15.3993 15.4160 15.4160 15.8678 15.8678 15.8840 15.8840 k = 0.0000 0.4688 0.7312 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7923 -15.7923 -15.7828 -15.7828 -15.7725 -15.7725 -15.7701 -15.7701 1.0632 1.0632 1.0671 1.0671 1.4125 1.4125 1.4145 1.4145 1.7073 1.7073 1.7512 1.7512 2.3684 2.3684 2.3909 2.3909 2.8170 2.8170 2.8298 2.8298 3.4812 3.4812 3.4950 3.4950 5.6404 5.6404 5.6411 5.6411 5.8814 5.8814 6.0401 6.0401 6.4568 6.4568 6.5818 6.5818 6.6882 6.6882 6.7543 6.7543 8.3213 8.3213 8.3604 8.3604 15.4668 15.4668 15.4827 15.4827 15.7880 15.7880 15.8054 15.8054 k = 0.0000 0.4844 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7908 -15.7908 -15.7800 -15.7800 -15.7740 -15.7740 -15.7729 -15.7729 1.0615 1.0615 1.0654 1.0654 1.4186 1.4186 1.4196 1.4196 1.7008 1.7008 1.7459 1.7459 2.3712 2.3712 2.3936 2.3936 2.8147 2.8147 2.8276 2.8276 3.4847 3.4847 3.4985 3.4985 5.6378 5.6378 5.6381 5.6381 5.8812 5.8812 6.0399 6.0399 6.4561 6.4561 6.5805 6.5805 6.6872 6.6872 6.7541 6.7541 8.3251 8.3251 8.3641 8.3641 15.5325 15.5325 15.5468 15.5468 15.7149 15.7149 15.7343 15.7343 k = 0.0000 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3797 -45.3797 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7902 -15.7902 -15.7783 -15.7783 -15.7746 -15.7746 -15.7746 -15.7746 1.0610 1.0610 1.0648 1.0648 1.4206 1.4206 1.4212 1.4212 1.6985 1.6985 1.7440 1.7440 2.3721 2.3721 2.3945 2.3945 2.8139 2.8139 2.8268 2.8268 3.4858 3.4858 3.4997 3.4997 5.6369 5.6369 5.6371 5.6371 5.8811 5.8811 6.0398 6.0398 6.4558 6.4558 6.5800 6.5800 6.6868 6.6868 6.7540 6.7540 8.3263 8.3263 8.3653 8.3653 15.5726 15.5726 15.5842 15.5842 15.6724 15.6724 15.6944 15.6944 k = 0.0000 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3797 -45.3797 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7902 -15.7902 -15.7783 -15.7783 -15.7746 -15.7746 -15.7746 -15.7746 1.0610 1.0610 1.0648 1.0648 1.4206 1.4206 1.4212 1.4212 1.6985 1.6985 1.7440 1.7440 2.3721 2.3721 2.3945 2.3945 2.8139 2.8139 2.8268 2.8268 3.4858 3.4858 3.4997 3.4997 5.6369 5.6369 5.6371 5.6371 5.8811 5.8811 6.0398 6.0398 6.4558 6.4558 6.5800 6.5800 6.6868 6.6868 6.7540 6.7540 8.3263 8.3263 8.3653 8.3653 15.5726 15.5726 15.5842 15.5842 15.6724 15.6724 15.6944 15.6944 k = 0.0156 0.5000 0.7312 ( 4280 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7905 -15.7905 -15.7792 -15.7792 -15.7743 -15.7743 -15.7736 -15.7736 1.0611 1.0611 1.0649 1.0649 1.4192 1.4192 1.4195 1.4195 1.7006 1.7006 1.7456 1.7456 2.3698 2.3698 2.3920 2.3920 2.8165 2.8165 2.8291 2.8291 3.4859 3.4859 3.4997 3.4997 5.6375 5.6375 5.6378 5.6378 5.8814 5.8814 6.0399 6.0399 6.4561 6.4561 6.5804 6.5804 6.6872 6.6872 6.7540 6.7540 8.3254 8.3254 8.3643 8.3643 15.5714 15.5714 15.5826 15.5826 15.6760 15.6760 15.6976 15.6976 k = 0.0312 0.5000 0.7312 ( 4280 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7912 -15.7912 -15.7809 -15.7809 -15.7735 -15.7735 -15.7719 -15.7719 1.0614 1.0614 1.0650 1.0650 1.4140 1.4140 1.4149 1.4149 1.7064 1.7064 1.7500 1.7500 2.3628 2.3628 2.3845 2.3845 2.8238 2.8238 2.8357 2.8357 3.4858 3.4858 3.4996 3.4996 5.6391 5.6391 5.6394 5.6394 5.8818 5.8818 6.0399 6.0399 6.4565 6.4565 6.5816 6.5816 6.6882 6.6882 6.7538 6.7538 8.3224 8.3224 8.3612 8.3612 15.5682 15.5682 15.5784 15.5784 15.6860 15.6860 15.7066 15.7066 k = 0.0469 0.5000 0.7312 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7922 -15.7922 -15.7828 -15.7828 -15.7724 -15.7724 -15.7700 -15.7700 1.0618 1.0618 1.0653 1.0653 1.4055 1.4055 1.4082 1.4082 1.7155 1.7155 1.7571 1.7571 2.3517 2.3517 2.3725 2.3725 2.8355 2.8355 2.8463 2.8463 3.4857 3.4857 3.4995 3.4995 5.6418 5.6418 5.6420 5.6420 5.8825 5.8825 6.0400 6.0400 6.4572 6.4572 6.5835 6.5835 6.6899 6.6899 6.7535 6.7535 8.3173 8.3173 8.3560 8.3560 15.5638 15.5638 15.5730 15.5730 15.7010 15.7010 15.7206 15.7206 k = 0.0625 0.5000 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7935 -15.7935 -15.7848 -15.7848 -15.7711 -15.7711 -15.7681 -15.7681 1.0624 1.0624 1.0656 1.0656 1.3946 1.3946 1.3993 1.3993 1.7272 1.7272 1.7662 1.7662 2.3369 2.3369 2.3569 2.3569 2.8507 2.8507 2.8603 2.8603 3.4854 3.4854 3.4993 3.4993 5.6455 5.6455 5.6457 5.6457 5.8835 5.8835 6.0402 6.0402 6.4580 6.4580 6.5860 6.5860 6.6924 6.6924 6.7533 6.7533 8.3103 8.3103 8.3487 8.3487 15.5591 15.5591 15.5676 15.5676 15.7199 15.7199 15.7388 15.7388 k = 0.0781 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7949 -15.7949 -15.7867 -15.7867 -15.7695 -15.7695 -15.7661 -15.7661 1.0629 1.0629 1.0659 1.0659 1.3821 1.3821 1.3891 1.3891 1.7408 1.7408 1.7769 1.7769 2.3193 2.3193 2.3383 2.3383 2.8688 2.8688 2.8770 2.8770 3.4851 3.4851 3.4990 3.4990 5.6502 5.6502 5.6504 5.6504 5.8847 5.8847 6.0403 6.0403 6.4589 6.4589 6.5890 6.5890 6.6959 6.6959 6.7534 6.7534 8.3014 8.3014 8.3394 8.3394 15.5548 15.5548 15.5628 15.5628 15.7420 15.7420 15.7605 15.7605 k = 0.0938 0.5000 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7964 -15.7964 -15.7887 -15.7887 -15.7679 -15.7679 -15.7642 -15.7642 1.0635 1.0635 1.0660 1.0660 1.3688 1.3688 1.3779 1.3779 1.7555 1.7555 1.7887 1.7887 2.2994 2.2994 2.3177 2.3177 2.8890 2.8890 2.8959 2.8959 3.4847 3.4847 3.4986 3.4986 5.6559 5.6559 5.6561 5.6561 5.8862 5.8862 6.0406 6.0406 6.4595 6.4595 6.5921 6.5921 6.7004 6.7004 6.7539 6.7539 8.2905 8.2905 8.3281 8.3281 15.5511 15.5511 15.5590 15.5590 15.7669 15.7669 15.7852 15.7852 k = 0.1094 0.5000 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7980 -15.7980 -15.7906 -15.7906 -15.7662 -15.7662 -15.7623 -15.7623 1.0638 1.0638 1.0660 1.0660 1.3552 1.3552 1.3664 1.3664 1.7711 1.7711 1.8010 1.8010 2.2778 2.2778 2.2956 2.2956 2.9110 2.9110 2.9164 2.9164 3.4843 3.4843 3.4981 3.4981 5.6626 5.6626 5.6628 5.6628 5.8879 5.8879 6.0409 6.0409 6.4600 6.4600 6.5952 6.5952 6.7062 6.7062 6.7553 6.7553 8.2777 8.2777 8.3149 8.3149 15.5485 15.5485 15.5564 15.5564 15.7944 15.7944 15.8129 15.8129 k = 0.1250 0.5000 0.7312 ( 4308 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9781 -40.9781 -40.8435 -40.8435 -40.8431 -40.8431 -15.7996 -15.7996 -15.7926 -15.7926 -15.7644 -15.7644 -15.7604 -15.7604 1.0639 1.0639 1.0656 1.0656 1.3418 1.3418 1.3549 1.3549 1.7867 1.7867 1.8134 1.8134 2.2552 2.2552 2.2727 2.2727 2.9340 2.9340 2.9381 2.9381 3.4837 3.4837 3.4976 3.4976 5.6702 5.6702 5.6704 5.6704 5.8898 5.8898 6.0413 6.0413 6.4599 6.4599 6.5978 6.5978 6.7135 6.7135 6.7578 6.7578 8.2631 8.2631 8.2998 8.2998 15.5469 15.5469 15.5550 15.5550 15.8244 15.8244 15.8431 15.8431 k = 0.1406 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9806 -40.9806 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8011 -15.8011 -15.7944 -15.7944 -15.7627 -15.7627 -15.7586 -15.7586 1.0635 1.0635 1.0647 1.0647 1.3292 1.3292 1.3442 1.3442 1.8021 1.8021 1.8253 1.8253 2.2320 2.2320 2.2496 2.2496 2.9578 2.9578 2.9607 2.9607 3.4831 3.4831 3.4969 3.4969 5.6786 5.6786 5.6790 5.6790 5.8920 5.8920 6.0418 6.0418 6.4592 6.4592 6.5996 6.5996 6.7224 6.7224 6.7620 6.7620 8.2467 8.2467 8.2828 8.2828 15.5465 15.5465 15.5549 15.5549 15.8568 15.8568 15.8759 15.8759 k = 0.1562 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9805 -40.9805 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8027 -15.8027 -15.7963 -15.7963 -15.7609 -15.7609 -15.7568 -15.7568 1.0624 1.0624 1.0631 1.0631 1.3178 1.3178 1.3343 1.3343 1.8167 1.8167 1.8363 1.8363 2.2088 2.2088 2.2266 2.2266 2.9820 2.9820 2.9838 2.9838 3.4823 3.4823 3.4962 3.4962 5.6878 5.6878 5.6884 5.6884 5.8942 5.8942 6.0424 6.0424 6.4578 6.4578 6.6002 6.6002 6.7330 6.7330 6.7682 6.7682 8.2286 8.2286 8.2640 8.2640 15.5473 15.5473 15.5561 15.5561 15.8915 15.8915 15.9112 15.9112 k = 0.1719 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9805 -40.9805 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8042 -15.8042 -15.7981 -15.7981 -15.7591 -15.7591 -15.7550 -15.7550 1.0605 1.0605 1.0607 1.0607 1.3079 1.3079 1.3259 1.3259 1.8301 1.8301 1.8459 1.8459 2.1860 2.1860 2.2045 2.2045 3.0065 3.0065 3.0071 3.0071 3.4814 3.4814 3.4953 3.4953 5.6976 5.6976 5.6986 5.6986 5.8966 5.8966 6.0430 6.0430 6.4555 6.4555 6.5993 6.5993 6.7453 6.7453 6.7765 6.7765 8.2088 8.2088 8.2435 8.2435 15.5493 15.5493 15.5585 15.5585 15.9284 15.9284 15.9489 15.9489 k = 0.1875 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3786 -45.3786 -40.9805 -40.9805 -40.9782 -40.9782 -40.8435 -40.8435 -40.8431 -40.8431 -15.8057 -15.8057 -15.7998 -15.7998 -15.7574 -15.7574 -15.7533 -15.7533 1.0574 1.0574 1.0575 1.0575 1.3000 1.3000 1.3191 1.3191 1.8417 1.8417 1.8535 1.8535 2.1642 2.1642 2.1839 2.1839 3.0306 3.0306 3.0310 3.0310 3.4803 3.4803 3.4942 3.4942 5.7081 5.7081 5.7095 5.7095 5.8991 5.8991 6.0436 6.0436 6.4523 6.4523 6.5967 6.5967 6.7595 6.7595 6.7873 6.7873 8.1873 8.1873 8.2213 8.2213 15.5525 15.5525 15.5622 15.5622 15.9676 15.9676 15.9889 15.9889 k = 0.2031 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3786 -45.3786 -40.9804 -40.9804 -40.9783 -40.9783 -40.8435 -40.8435 -40.8431 -40.8431 -15.8071 -15.8071 -15.8015 -15.8015 -15.7557 -15.7557 -15.7517 -15.7517 1.0530 1.0530 1.0534 1.0534 1.2942 1.2942 1.3142 1.3142 1.8510 1.8510 1.8585 1.8585 2.1442 2.1442 2.1652 2.1652 3.0539 3.0539 3.0553 3.0553 3.4790 3.4790 3.4929 3.4929 5.7191 5.7191 5.7211 5.7211 5.9017 5.9017 6.0444 6.0444 6.4483 6.4483 6.5924 6.5924 6.7756 6.7756 6.8004 6.8004 8.1645 8.1645 8.1977 8.1977 15.5569 15.5569 15.5670 15.5670 16.0090 16.0090 16.0311 16.0311 k = 0.2188 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3786 -45.3786 -40.9804 -40.9804 -40.9783 -40.9783 -40.8435 -40.8435 -40.8431 -40.8431 -15.8085 -15.8085 -15.8032 -15.8032 -15.7540 -15.7540 -15.7501 -15.7501 1.0476 1.0476 1.0482 1.0482 1.2908 1.2908 1.3113 1.3113 1.8571 1.8571 1.8602 1.8602 2.1266 2.1266 2.1493 2.1493 3.0771 3.0771 3.0794 3.0794 3.4776 3.4776 3.4915 3.4915 5.7305 5.7305 5.7333 5.7333 5.9044 5.9044 6.0453 6.0453 6.4434 6.4434 6.5866 6.5866 6.7934 6.7934 6.8159 6.8159 8.1402 8.1402 8.1725 8.1725 15.5623 15.5623 15.5729 15.5729 16.0525 16.0525 16.0756 16.0756 k = 0.2344 0.5000 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3786 -45.3786 -40.9803 -40.9803 -40.9784 -40.9784 -40.8435 -40.8435 -40.8431 -40.8431 -15.8098 -15.8098 -15.8048 -15.8048 -15.7524 -15.7524 -15.7486 -15.7486 1.0413 1.0413 1.0418 1.0418 1.2897 1.2897 1.3107 1.3107 1.8582 1.8582 1.8594 1.8594 2.1122 2.1122 2.1365 2.1365 3.0999 3.0999 3.1031 3.1031 3.4760 3.4760 3.4899 3.4899 5.7423 5.7423 5.7460 5.7460 5.9072 5.9072 6.0463 6.0463 6.4378 6.4378 6.5794 6.5794 6.8130 6.8130 6.8336 6.8336 8.1146 8.1146 8.1459 8.1459 15.5689 15.5689 15.5799 15.5799 16.0979 16.0979 16.1221 16.1221 k = 0.2500 0.5000 0.7312 ( 4276 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8435 -40.8435 -40.8431 -40.8431 -15.8111 -15.8111 -15.8063 -15.8063 -15.7508 -15.7508 -15.7471 -15.7471 1.0341 1.0341 1.0345 1.0345 1.2910 1.2910 1.3121 1.3121 1.8521 1.8521 1.8572 1.8572 2.1017 2.1017 2.1272 2.1272 3.1224 3.1224 3.1264 3.1264 3.4741 3.4741 3.4880 3.4880 5.7542 5.7542 5.7591 5.7591 5.9102 5.9102 6.0474 6.0474 6.4316 6.4316 6.5710 6.5710 6.8342 6.8342 6.8532 6.8532 8.0878 8.0878 8.1182 8.1182 15.5764 15.5764 15.5879 15.5879 16.1452 16.1452 16.1707 16.1707 k = 0.2656 0.5000 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9784 -40.9784 -40.8435 -40.8435 -40.8432 -40.8432 -15.8123 -15.8123 -15.8078 -15.8078 -15.7493 -15.7493 -15.7458 -15.7458 1.0261 1.0261 1.0263 1.0263 1.2944 1.2944 1.3154 1.3154 1.8421 1.8421 1.8503 1.8503 2.0951 2.0951 2.1212 2.1212 3.1443 3.1443 3.1491 3.1491 3.4719 3.4719 3.4858 3.4858 5.7662 5.7662 5.7725 5.7725 5.9131 5.9131 6.0484 6.0484 6.4247 6.4247 6.5613 6.5613 6.8567 6.8567 6.8745 6.8745 8.0599 8.0599 8.0893 8.0893 15.5849 15.5849 15.5967 15.5967 16.1942 16.1942 16.2212 16.2212 k = 0.2812 0.5000 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8134 -15.8134 -15.8092 -15.8092 -15.7479 -15.7479 -15.7445 -15.7445 1.0177 1.0177 1.0177 1.0177 1.2998 1.2998 1.3207 1.3207 1.8284 1.8284 1.8389 1.8389 2.0925 2.0925 2.1184 2.1184 3.1656 3.1656 3.1712 3.1712 3.4695 3.4695 3.4834 3.4834 5.7782 5.7782 5.7860 5.7860 5.9162 5.9162 6.0496 6.0496 6.4175 6.4175 6.5508 6.5508 6.8808 6.8808 6.8975 6.8975 8.0310 8.0310 8.0593 8.0593 15.5942 15.5942 15.6063 15.6063 16.2447 16.2447 16.2733 16.2733 k = 0.2969 0.5000 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9801 -40.9801 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8144 -15.8144 -15.8105 -15.8105 -15.7465 -15.7465 -15.7433 -15.7433 1.0087 1.0087 1.0089 1.0089 1.3071 1.3071 1.3277 1.3277 1.8117 1.8117 1.8238 1.8238 2.0930 2.0930 2.1182 2.1182 3.1863 3.1863 3.1926 3.1926 3.4667 3.4667 3.4806 3.4806 5.7900 5.7900 5.7997 5.7997 5.9195 5.9195 6.0509 6.0509 6.4100 6.4100 6.5395 6.5395 6.9059 6.9059 6.9217 6.9217 8.0014 8.0014 8.0286 8.0286 15.6043 15.6043 15.6166 15.6166 16.2965 16.2965 16.3269 16.3269 k = 0.3125 0.5000 0.7312 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8154 -15.8154 -15.8117 -15.8117 -15.7452 -15.7452 -15.7422 -15.7422 0.9997 0.9997 1.0001 1.0001 1.3160 1.3160 1.3363 1.3363 1.7926 1.7926 1.8058 1.8058 2.0959 2.0959 2.1198 2.1198 3.2063 3.2063 3.2133 3.2133 3.4635 3.4635 3.4774 3.4774 5.8015 5.8015 5.8131 5.8131 5.9231 5.9231 6.0521 6.0521 6.4024 6.4024 6.5276 6.5276 6.9321 6.9321 6.9471 6.9471 7.9711 7.9711 7.9972 7.9972 15.6149 15.6149 15.6273 15.6273 16.3491 16.3491 16.3816 16.3816 k = 0.3281 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8163 -15.8163 -15.8129 -15.8129 -15.7440 -15.7440 -15.7412 -15.7412 0.9908 0.9908 0.9914 0.9914 1.3264 1.3264 1.3464 1.3464 1.7718 1.7718 1.7857 1.7857 2.1004 2.1004 2.1226 2.1226 3.2257 3.2257 3.2333 3.2333 3.4600 3.4600 3.4739 3.4739 5.8126 5.8126 5.8261 5.8261 5.9271 5.9271 6.0532 6.0532 6.3950 6.3950 6.5151 6.5151 6.9590 6.9590 6.9733 6.9733 7.9405 7.9405 7.9653 7.9653 15.6261 15.6261 15.6385 15.6385 16.4024 16.4024 16.4371 16.4371 k = 0.3438 0.5000 0.7312 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8171 -15.8171 -15.8140 -15.8140 -15.7428 -15.7428 -15.7403 -15.7403 0.9823 0.9823 0.9830 0.9830 1.3382 1.3382 1.3578 1.3578 1.7498 1.7498 1.7641 1.7641 2.1059 2.1059 2.1262 2.1262 3.2443 3.2443 3.2525 3.2525 3.4561 3.4561 3.4699 3.4699 5.8232 5.8232 5.8385 5.8385 5.9317 5.9317 6.0542 6.0542 6.3880 6.3880 6.5023 6.5023 6.9866 6.9866 7.0002 7.0002 7.9097 7.9097 7.9333 7.9333 15.6376 15.6376 15.6498 15.6498 16.4556 16.4556 16.4928 16.4928 k = 0.3594 0.5000 0.7312 ( 4272 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9799 -40.9799 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8178 -15.8178 -15.8150 -15.8150 -15.7418 -15.7418 -15.7394 -15.7394 0.9742 0.9742 0.9750 0.9750 1.3512 1.3512 1.3704 1.3704 1.7270 1.7270 1.7416 1.7416 2.1119 2.1119 2.1302 2.1302 3.2621 3.2621 3.2709 3.2709 3.4519 3.4519 3.4656 3.4656 5.8333 5.8333 5.8500 5.8500 5.9372 5.9372 6.0549 6.0549 6.3816 6.3816 6.4892 6.4892 7.0145 7.0145 7.0274 7.0274 7.8792 7.8792 7.9013 7.9013 15.6492 15.6492 15.6611 15.6611 16.5081 16.5081 16.5479 16.5479 k = 0.3750 0.5000 0.7312 ( 4272 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9798 -40.9798 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8184 -15.8184 -15.8159 -15.8159 -15.7408 -15.7408 -15.7387 -15.7387 0.9667 0.9667 0.9676 0.9676 1.3653 1.3653 1.3841 1.3841 1.7038 1.7038 1.7186 1.7186 2.1179 2.1179 2.1342 2.1342 3.2792 3.2792 3.2885 3.2885 3.4470 3.4470 3.4607 3.4607 5.8425 5.8425 5.8600 5.8600 5.9437 5.9437 6.0550 6.0550 6.3760 6.3760 6.4760 6.4760 7.0423 7.0423 7.0545 7.0545 7.8491 7.8491 7.8697 7.8697 15.6607 15.6607 15.6721 15.6721 16.5591 16.5591 16.6014 16.6014 k = 0.3906 0.5000 0.7312 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3789 -45.3789 -40.9798 -40.9798 -40.9789 -40.9789 -40.8434 -40.8434 -40.8433 -40.8433 -15.8189 -15.8189 -15.8168 -15.8168 -15.7399 -15.7399 -15.7380 -15.7380 0.9599 0.9599 0.9608 0.9608 1.3803 1.3803 1.3987 1.3987 1.6804 1.6804 1.6953 1.6953 2.1237 2.1237 2.1379 2.1379 3.2954 3.2954 3.3052 3.3052 3.4416 3.4416 3.4552 3.4552 5.8509 5.8509 5.8683 5.8683 5.9513 5.9513 6.0545 6.0545 6.3714 6.3714 6.4627 6.4627 7.0696 7.0696 7.0811 7.0811 7.8198 7.8198 7.8388 7.8388 15.6719 15.6719 15.6826 15.6826 16.6075 16.6075 16.6520 16.6520 k = 0.4062 0.5000 0.7312 ( 4280 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3789 -45.3789 -40.9797 -40.9797 -40.9789 -40.9789 -40.8434 -40.8434 -40.8433 -40.8433 -15.8194 -15.8194 -15.8175 -15.8175 -15.7391 -15.7391 -15.7375 -15.7375 0.9538 0.9538 0.9547 0.9547 1.3963 1.3963 1.4142 1.4142 1.6571 1.6571 1.6721 1.6721 2.1292 2.1292 2.1413 2.1413 3.3108 3.3108 3.3211 3.3211 3.4358 3.4358 3.4492 3.4492 5.8585 5.8585 5.8750 5.8750 5.9600 5.9600 6.0533 6.0533 6.3681 6.3681 6.4497 6.4497 7.0960 7.0960 7.1066 7.1066 7.7921 7.7921 7.8093 7.8093 15.6826 15.6826 15.6923 15.6923 16.6523 16.6523 16.6979 16.6979 k = 0.4219 0.5000 0.7312 ( 4280 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3789 -45.3789 -40.9797 -40.9797 -40.9790 -40.9790 -40.8434 -40.8434 -40.8433 -40.8433 -15.8197 -15.8197 -15.8182 -15.8182 -15.7384 -15.7384 -15.7371 -15.7371 0.9486 0.9486 0.9494 0.9494 1.4129 1.4129 1.4304 1.4304 1.6342 1.6342 1.6492 1.6492 2.1342 2.1342 2.1443 2.1443 3.3253 3.3253 3.3360 3.3360 3.4293 3.4293 3.4427 3.4427 5.8651 5.8651 5.8800 5.8800 5.9698 5.9698 6.0510 6.0510 6.3664 6.3664 6.4369 6.4369 7.1209 7.1209 7.1304 7.1304 7.7666 7.7666 7.7817 7.7817 15.6924 15.6924 15.7009 15.7009 16.6922 16.6922 16.7372 16.7372 k = 0.4375 0.5000 0.7312 ( 4280 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3790 -45.3790 -40.9796 -40.9796 -40.9791 -40.9791 -40.8434 -40.8434 -40.8433 -40.8433 -15.8200 -15.8200 -15.8188 -15.8188 -15.7378 -15.7378 -15.7367 -15.7367 0.9443 0.9443 0.9450 0.9450 1.4302 1.4302 1.4470 1.4470 1.6119 1.6119 1.6267 1.6267 2.1385 2.1385 2.1466 2.1466 3.3391 3.3391 3.3501 3.3501 3.4223 3.4223 3.4355 3.4355 5.8709 5.8709 5.8834 5.8834 5.9802 5.9802 6.0475 6.0475 6.3664 6.3664 6.4246 6.4246 7.1434 7.1434 7.1517 7.1517 7.7440 7.7440 7.7568 7.7568 15.7011 15.7011 15.7083 15.7083 16.7263 16.7263 16.7679 16.7679 k = 0.4531 0.5000 0.7312 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3790 -45.3790 -40.9795 -40.9795 -40.9791 -40.9791 -40.8434 -40.8434 -40.8433 -40.8433 -15.8202 -15.8202 -15.8192 -15.8192 -15.7373 -15.7373 -15.7365 -15.7365 0.9410 0.9410 0.9415 0.9415 1.4479 1.4479 1.4637 1.4637 1.5907 1.5907 1.6051 1.6051 2.1422 2.1422 2.1482 2.1482 3.3519 3.3519 3.3633 3.3633 3.4148 3.4148 3.4276 3.4276 5.8757 5.8757 5.8854 5.8854 5.9908 5.9908 6.0427 6.0427 6.3681 6.3681 6.4129 6.4129 7.1629 7.1629 7.1696 7.1696 7.7253 7.7253 7.7354 7.7354 15.7084 15.7084 15.7140 15.7140 16.7541 16.7541 16.7890 16.7890 k = 0.4688 0.5000 0.7312 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3790 -45.3790 -40.9795 -40.9795 -40.9792 -40.9792 -40.8434 -40.8434 -40.8433 -40.8433 -15.8203 -15.8203 -15.8196 -15.8196 -15.7369 -15.7369 -15.7364 -15.7364 0.9386 0.9386 0.9389 0.9389 1.4653 1.4653 1.4792 1.4792 1.5718 1.5718 1.5848 1.5848 2.1451 2.1451 2.1491 2.1491 3.3639 3.3639 3.3753 3.3753 3.4068 3.4068 3.4192 3.4192 5.8797 5.8797 5.8862 5.8862 6.0013 6.0013 6.0366 6.0366 6.3717 6.3717 6.4021 6.4021 7.1782 7.1782 7.1829 7.1829 7.7115 7.7115 7.7185 7.7185 15.7142 15.7142 15.7180 15.7180 16.7756 16.7756 16.8008 16.8008 k = 0.4844 0.5000 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3790 -45.3790 -40.9794 -40.9794 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8202 -15.8202 -15.8199 -15.8199 -15.7366 -15.7366 -15.7364 -15.7364 0.9372 0.9372 0.9374 0.9374 1.4812 1.4812 1.4907 1.4907 1.5583 1.5583 1.5673 1.5673 2.1473 2.1473 2.1493 2.1493 3.3749 3.3749 3.3850 3.3850 3.3996 3.3996 3.4102 3.4102 5.8827 5.8827 5.8860 5.8860 6.0114 6.0114 6.0293 6.0293 6.3770 6.3770 6.3924 6.3924 7.1884 7.1884 7.1908 7.1908 7.7035 7.7035 7.7071 7.7071 15.7181 15.7181 15.7201 15.7201 16.7910 16.7910 16.8042 16.8042 k = 0.5000 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8201 -15.8201 -15.8201 -15.8201 -15.7364 -15.7364 -15.7364 -15.7364 0.9367 0.9367 0.9367 0.9367 1.4917 1.4917 1.4917 1.4917 1.5563 1.5563 1.5563 1.5563 2.1487 2.1487 2.1487 2.1487 3.3841 3.3841 3.3841 3.3841 3.4015 3.4015 3.4015 3.4015 5.8847 5.8847 5.8847 5.8847 6.0208 6.0208 6.0208 6.0208 6.3840 6.3840 6.3840 6.3840 7.1927 7.1927 7.1927 7.1927 7.7020 7.7020 7.7020 7.7020 15.7201 15.7201 15.7201 15.7201 16.8006 16.8006 16.8006 16.8006 k = 0.5000 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8201 -15.8201 -15.8201 -15.8201 -15.7364 -15.7364 -15.7364 -15.7364 0.9367 0.9367 0.9367 0.9367 1.4917 1.4917 1.4917 1.4917 1.5563 1.5563 1.5563 1.5563 2.1487 2.1487 2.1487 2.1487 3.3841 3.3841 3.3841 3.3841 3.4015 3.4015 3.4015 3.4015 5.8847 5.8847 5.8847 5.8847 6.0208 6.0208 6.0208 6.0208 6.3840 6.3840 6.3840 6.3840 7.1927 7.1927 7.1927 7.1927 7.7020 7.7020 7.7020 7.7020 15.7201 15.7201 15.7201 15.7201 16.8006 16.8006 16.8006 16.8006 k = 0.4889 0.4889 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3790 -45.3790 -40.9794 -40.9794 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8203 -15.8203 -15.8199 -15.8199 -15.7367 -15.7367 -15.7363 -15.7363 0.9368 0.9368 0.9377 0.9377 1.4786 1.4786 1.4941 1.4941 1.5544 1.5544 1.5703 1.5703 2.1472 2.1472 2.1494 2.1494 3.3739 3.3739 3.3884 3.3884 3.3959 3.3959 3.4115 3.4115 5.8826 5.8826 5.8861 5.8861 6.0114 6.0114 6.0293 6.0293 6.3769 6.3769 6.3925 6.3925 7.1862 7.1862 7.1930 7.1930 7.7016 7.7016 7.7091 7.7091 15.7167 15.7167 15.7214 15.7214 16.7891 16.7891 16.8061 16.8061 k = 0.4778 0.4778 0.7312 ( 4286 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3790 -45.3790 -40.9795 -40.9795 -40.9792 -40.9792 -40.8434 -40.8434 -40.8433 -40.8433 -15.8204 -15.8204 -15.8195 -15.8195 -15.7371 -15.7371 -15.7362 -15.7362 0.9369 0.9369 0.9406 0.9406 1.4560 1.4560 1.4954 1.4954 1.5536 1.5536 1.5962 1.5962 2.1446 2.1446 2.1496 2.1496 3.3606 3.3606 3.3884 3.3884 3.3920 3.3920 3.4242 3.4242 5.8791 5.8791 5.8867 5.8867 6.0013 6.0013 6.0367 6.0367 6.3711 6.3711 6.4027 6.4027 7.1683 7.1683 7.1931 7.1931 7.7017 7.7017 7.7279 7.7279 15.7072 15.7072 15.7248 15.7248 16.7650 16.7650 16.8135 16.8135 k = 0.4667 0.4667 0.7312 ( 4286 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3790 -45.3790 -40.9795 -40.9795 -40.9791 -40.9791 -40.8434 -40.8434 -40.8433 -40.8433 -15.8205 -15.8205 -15.8189 -15.8189 -15.7377 -15.7377 -15.7361 -15.7361 0.9372 0.9372 0.9454 0.9454 1.4310 1.4310 1.4973 1.4973 1.5525 1.5525 1.6267 1.6267 2.1406 2.1406 2.1496 2.1496 3.3463 3.3463 3.3859 3.3859 3.3879 3.3879 3.4374 3.4374 5.8739 5.8739 5.8869 5.8869 5.9910 5.9910 6.0430 6.0430 6.3662 6.3662 6.4146 6.4146 7.1413 7.1413 7.1934 7.1934 7.7019 7.7019 7.7565 7.7565 15.6915 15.6915 15.7301 15.7301 16.7288 16.7288 16.8249 16.8249 k = 0.4556 0.4556 0.7312 ( 4286 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3790 -45.3790 -40.9796 -40.9796 -40.9791 -40.9791 -40.8434 -40.8434 -40.8433 -40.8433 -15.8207 -15.8207 -15.8181 -15.8181 -15.7386 -15.7386 -15.7360 -15.7360 0.9376 0.9376 0.9521 0.9521 1.4059 1.4059 1.4998 1.4998 1.5511 1.5511 1.6593 1.6593 2.1353 2.1353 2.1495 2.1495 3.3317 3.3317 3.3805 3.3805 3.3839 3.3839 3.4504 3.4504 5.8666 5.8666 5.8869 5.8869 5.9811 5.9811 6.0483 6.0483 6.3619 6.3619 6.4280 6.4280 7.1079 7.1079 7.1937 7.1937 7.7021 7.7021 7.7920 7.7920 15.6701 15.6701 15.7371 15.7371 16.6840 16.6840 16.8406 16.8406 k = 0.4444 0.4444 0.7312 ( 4278 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3789 -45.3789 -40.9796 -40.9796 -40.9790 -40.9790 -40.8434 -40.8434 -40.8433 -40.8433 -15.8209 -15.8209 -15.8170 -15.8170 -15.7397 -15.7397 -15.7357 -15.7357 0.9381 0.9381 0.9606 0.9606 1.3815 1.3815 1.5030 1.5030 1.5492 1.5492 1.6934 1.6934 2.1286 2.1286 2.1494 2.1494 3.3170 3.3170 3.3730 3.3730 3.3795 3.3795 3.4630 3.4630 5.8572 5.8572 5.8867 5.8867 5.9721 5.9721 6.0528 6.0528 6.3582 6.3582 6.4427 6.4427 7.0707 7.0707 7.1941 7.1941 7.7025 7.7025 7.8320 7.8320 15.6432 15.6432 15.7450 15.7450 16.6340 16.6340 16.8606 16.8606 k = 0.4333 0.4333 0.7312 ( 4278 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3792 -45.3792 -45.3789 -45.3789 -40.9797 -40.9797 -40.9789 -40.9789 -40.8434 -40.8434 -40.8433 -40.8433 -15.8212 -15.8212 -15.8157 -15.8157 -15.7411 -15.7411 -15.7355 -15.7355 0.9388 0.9388 0.9708 0.9708 1.3580 1.3580 1.5069 1.5069 1.5468 1.5468 1.7285 1.7285 2.1205 2.1205 2.1491 2.1491 3.3023 3.3023 3.3639 3.3639 3.3741 3.3741 3.4749 3.4749 5.8456 5.8456 5.8863 5.8863 5.9643 5.9643 6.0565 6.0565 6.3547 6.3547 6.4585 6.4585 7.0312 7.0312 7.1946 7.1946 7.7028 7.7028 7.8747 7.8747 15.6115 15.6115 15.7530 15.7530 16.5823 16.5823 16.8849 16.8849 k = 0.4222 0.4222 0.7312 ( 4278 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3789 -45.3789 -40.9798 -40.9798 -40.9789 -40.9789 -40.8434 -40.8434 -40.8433 -40.8433 -15.8215 -15.8215 -15.8142 -15.8142 -15.7427 -15.7427 -15.7352 -15.7352 0.9397 0.9397 0.9828 0.9828 1.3356 1.3356 1.5114 1.5114 1.5441 1.5441 1.7644 1.7644 2.1112 2.1112 2.1489 2.1489 3.2878 3.2878 3.3532 3.3532 3.3677 3.3677 3.4860 3.4860 5.8321 5.8321 5.8858 5.8858 5.9579 5.9579 6.0596 6.0596 6.3514 6.3514 6.4750 6.4750 6.9909 6.9909 7.1952 7.1952 7.7030 7.7030 7.9185 7.9185 15.5754 15.5754 15.7598 15.7598 16.5319 16.5319 16.9133 16.9133 k = 0.4111 0.4111 0.7312 ( 4278 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9798 -40.9798 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8219 -15.8219 -15.8124 -15.8124 -15.7446 -15.7446 -15.7349 -15.7349 0.9409 0.9409 0.9963 0.9963 1.3143 1.3143 1.5165 1.5165 1.5410 1.5410 1.8011 1.8011 2.1007 2.1007 2.1486 2.1486 3.2735 3.2735 3.3410 3.3410 3.3604 3.3604 3.4962 3.4962 5.8171 5.8171 5.8851 5.8851 5.9526 5.9526 6.0623 6.0623 6.3483 6.3483 6.4919 6.4919 6.9509 6.9509 7.1959 7.1959 7.7033 7.7033 7.9625 7.9625 15.5357 15.5357 15.7637 15.7637 16.4859 16.4859 16.9457 16.9457 k = 0.4000 0.4000 0.7312 ( 4290 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9799 -40.9799 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8223 -15.8223 -15.8105 -15.8105 -15.7466 -15.7466 -15.7345 -15.7345 0.9424 0.9424 1.0113 1.0113 1.2940 1.2940 1.5218 1.5218 1.5379 1.5379 1.8383 1.8383 2.0892 2.0892 2.1482 2.1482 3.2594 3.2594 3.3271 3.3271 3.3521 3.3521 3.5052 3.5052 5.8012 5.8012 5.8842 5.8842 5.9484 5.9484 6.0646 6.0646 6.3452 6.3452 6.5089 6.5089 6.9117 6.9117 7.1966 7.1966 7.7033 7.7033 8.0059 8.0059 15.4929 15.4929 15.7626 15.7626 16.4474 16.4474 16.9817 16.9817 k = 0.3889 0.3889 0.7312 ( 4286 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9799 -40.9799 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8228 -15.8228 -15.8084 -15.8084 -15.7489 -15.7489 -15.7341 -15.7341 0.9443 0.9443 1.0277 1.0277 1.2750 1.2750 1.5255 1.5255 1.5366 1.5366 1.8758 1.8758 2.0768 2.0768 2.1478 2.1478 3.2456 3.2456 3.3118 3.3118 3.3432 3.3432 3.5131 3.5131 5.7851 5.7851 5.8833 5.8833 5.9451 5.9451 6.0668 6.0668 6.3425 6.3425 6.5258 6.5258 6.8741 6.8741 7.1974 7.1974 7.7033 7.7033 8.0480 8.0480 15.4478 15.4478 15.7542 15.7542 16.4194 16.4194 17.0201 17.0201 k = 0.3778 0.3778 0.7312 ( 4286 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8233 -15.8233 -15.8061 -15.8061 -15.7513 -15.7513 -15.7337 -15.7337 0.9466 0.9466 1.0453 1.0453 1.2570 1.2570 1.5240 1.5240 1.5406 1.5406 1.9136 1.9136 2.0638 2.0638 2.1474 2.1474 3.2321 3.2321 3.2949 3.2949 3.3335 3.3335 3.5195 3.5195 5.7691 5.7691 5.8823 5.8823 5.9424 5.9424 6.0688 6.0688 6.3399 6.3399 6.5422 6.5422 6.8383 6.8383 7.1983 7.1983 7.7030 7.7030 8.0883 8.0883 15.4009 15.4009 15.7367 15.7367 16.4043 16.4043 17.0572 17.0572 k = 0.3667 0.3667 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8238 -15.8238 -15.8036 -15.8036 -15.7539 -15.7539 -15.7332 -15.7332 0.9495 0.9495 1.0640 1.0640 1.2402 1.2402 1.5193 1.5193 1.5479 1.5479 1.9515 1.9515 2.0504 2.0504 2.1470 2.1470 3.2190 3.2190 3.2767 3.2767 3.3231 3.3231 3.5245 3.5245 5.7538 5.7538 5.8811 5.8811 5.9402 5.9402 6.0706 6.0706 6.3376 6.3376 6.5581 6.5581 6.8047 6.8047 7.1992 7.1992 7.7024 7.7024 8.1263 8.1263 15.3528 15.3528 15.7093 15.7093 16.4032 16.4032 17.0813 17.0813 k = 0.3556 0.3556 0.7312 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8244 -15.8244 -15.8010 -15.8010 -15.7567 -15.7567 -15.7327 -15.7327 0.9529 0.9529 1.0836 1.0836 1.2245 1.2245 1.5133 1.5133 1.5566 1.5566 1.9892 1.9892 2.0367 2.0367 2.1467 2.1467 3.2062 3.2062 3.2573 3.2573 3.3120 3.3120 3.5279 3.5279 5.7394 5.7394 5.8798 5.8798 5.9384 5.9384 6.0724 6.0724 6.3355 6.3355 6.5733 6.5733 6.7737 6.7737 7.2002 7.2002 7.7016 7.7016 8.1616 8.1616 15.3040 15.3040 15.6725 15.6725 16.4159 16.4159 17.0889 17.0889 k = 0.3444 0.3444 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8250 -15.8250 -15.7982 -15.7982 -15.7596 -15.7596 -15.7322 -15.7322 0.9569 0.9569 1.1038 1.1038 1.2098 1.2098 1.5064 1.5064 1.5661 1.5661 2.0218 2.0218 2.0277 2.0277 2.1464 2.1464 3.1938 3.1938 3.2364 3.2364 3.3003 3.3003 3.5295 3.5295 5.7262 5.7262 5.8784 5.8784 5.9370 5.9370 6.0742 6.0742 6.3339 6.3339 6.5874 6.5874 6.7453 6.7453 7.2011 7.2011 7.7004 7.7004 8.1939 8.1939 15.2549 15.2549 15.6277 15.6277 16.4412 16.4412 17.0925 17.0925 k = 0.3333 0.3333 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8256 -15.8256 -15.7953 -15.7953 -15.7626 -15.7626 -15.7316 -15.7316 0.9617 0.9617 1.1245 1.1245 1.1961 1.1961 1.4986 1.4986 1.5764 1.5764 2.0092 2.0092 2.0636 2.0636 2.1464 2.1464 3.1818 3.1818 3.2145 3.2145 3.2881 3.2881 3.5293 3.5293 5.7147 5.7147 5.8770 5.8770 5.9359 5.9359 6.0761 6.0761 6.3326 6.3326 6.6006 6.6006 6.7199 6.7199 7.2022 7.2022 7.6988 7.6988 8.2230 8.2230 15.2061 15.2061 15.5769 15.5769 16.4773 16.4773 17.0973 17.0973 k = 0.3222 0.3222 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8263 -15.8263 -15.7924 -15.7924 -15.7656 -15.7656 -15.7310 -15.7310 0.9673 0.9673 1.1450 1.1450 1.1837 1.1837 1.4901 1.4901 1.5875 1.5875 1.9963 1.9963 2.0988 2.0988 2.1473 2.1473 3.1701 3.1701 3.1917 3.1917 3.2754 3.2754 3.5273 3.5273 5.7049 5.7049 5.8755 5.8755 5.9350 5.9350 6.0779 6.0779 6.3319 6.3319 6.6126 6.6126 6.6977 6.6977 7.2033 7.2033 7.6969 7.6969 8.2486 8.2486 15.1578 15.1578 15.5218 15.5218 16.5225 16.5225 17.1046 17.1046 k = 0.3111 0.3111 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8270 -15.8270 -15.7894 -15.7894 -15.7687 -15.7687 -15.7304 -15.7304 0.9737 0.9737 1.1625 1.1625 1.1751 1.1751 1.4807 1.4807 1.5993 1.5993 1.9841 1.9841 2.1279 2.1279 2.1534 2.1534 3.1589 3.1589 3.1680 3.1680 3.2623 3.2623 3.5233 3.5233 5.6970 5.6970 5.8741 5.8741 5.9344 5.9344 6.0799 6.0799 6.3316 6.3316 6.6231 6.6231 6.6787 6.6787 7.2044 7.2044 7.6946 7.6946 8.2704 8.2704 15.1102 15.1102 15.4640 15.4640 16.5754 16.5754 17.1147 17.1147 k = 0.3000 0.3000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9784 -40.9784 -40.8434 -40.8434 -40.8432 -40.8432 -15.8277 -15.8277 -15.7867 -15.7867 -15.7716 -15.7716 -15.7298 -15.7298 0.9810 0.9810 1.1583 1.1583 1.1887 1.1887 1.4707 1.4707 1.6117 1.6117 1.9731 1.9731 2.1381 2.1381 2.1773 2.1773 3.1438 3.1438 3.1482 3.1482 3.2489 3.2489 3.5173 3.5173 5.6913 5.6913 5.8728 5.8728 5.9340 5.9340 6.0820 6.0820 6.3319 6.3319 6.6315 6.6315 6.6638 6.6638 7.2056 7.2056 7.6918 7.6918 8.2883 8.2883 15.0638 15.0638 15.4047 15.4047 16.6349 16.6349 17.1275 17.1275 k = 0.2889 0.2889 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8435 -40.8435 -40.8432 -40.8432 -15.8284 -15.8284 -15.7845 -15.7845 -15.7739 -15.7739 -15.7292 -15.7292 0.9893 0.9893 1.1485 1.1485 1.2078 1.2078 1.4600 1.4600 1.6249 1.6249 1.9635 1.9635 2.1395 2.1395 2.2083 2.2083 3.1194 3.1194 3.1378 3.1378 3.2352 3.2352 3.5093 3.5093 5.6876 5.6876 5.8715 5.8715 5.9337 5.9337 6.0841 6.0841 6.3328 6.3328 6.6354 6.6354 6.6551 6.6551 7.2068 7.2068 7.6885 7.6885 8.3021 8.3021 15.0186 15.0186 15.3447 15.3447 16.7001 16.7001 17.1432 17.1432 k = 0.2778 0.2778 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8435 -40.8435 -40.8431 -40.8431 -15.8291 -15.8291 -15.7841 -15.7841 -15.7744 -15.7744 -15.7285 -15.7285 0.9986 0.9986 1.1391 1.1391 1.2260 1.2260 1.4490 1.4490 1.6386 1.6386 1.9555 1.9555 2.1396 2.1396 2.2390 2.2390 3.0950 3.0950 3.1278 3.1278 3.2214 3.2214 3.4994 3.4994 5.6862 5.6862 5.8704 5.8704 5.9337 5.9337 6.0864 6.0864 6.3343 6.3343 6.6322 6.6322 6.6555 6.6555 7.2079 7.2079 7.6848 7.6848 8.3117 8.3117 14.9749 14.9749 15.2847 15.2847 16.7701 16.7701 17.1616 17.1616 k = 0.2667 0.2667 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8435 -40.8435 -40.8431 -40.8431 -15.8299 -15.8299 -15.7860 -15.7860 -15.7726 -15.7726 -15.7278 -15.7278 1.0090 1.0090 1.1302 1.1302 1.2424 1.2424 1.4380 1.4380 1.6530 1.6530 1.9495 1.9495 2.1393 2.1393 2.2677 2.2677 3.0711 3.0711 3.1183 3.1183 3.2074 3.2074 3.4875 3.4875 5.6870 5.6870 5.8694 5.8694 5.9338 5.9338 6.0887 6.0887 6.3365 6.3365 6.6273 6.6273 6.6594 6.6594 7.2091 7.2091 7.6807 7.6807 8.3172 8.3172 14.9327 14.9327 15.2253 15.2253 16.8445 16.8445 17.1829 17.1829 k = 0.2556 0.2556 0.7312 ( 4308 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8435 -40.8435 -40.8431 -40.8431 -15.8306 -15.8306 -15.7889 -15.7889 -15.7698 -15.7698 -15.7272 -15.7272 1.0204 1.0204 1.1219 1.1219 1.2561 1.2561 1.4276 1.4276 1.6680 1.6680 1.9455 1.9455 2.1389 2.1389 2.2938 2.2938 3.0481 3.0481 3.1091 3.1091 3.1933 3.1933 3.4737 3.4737 5.6899 5.6899 5.8687 5.8687 5.9341 5.9341 6.0912 6.0912 6.3393 6.3393 6.6242 6.6242 6.6631 6.6631 7.2102 7.2102 7.6760 7.6760 8.3183 8.3183 14.8922 14.8922 15.1669 15.1669 16.9226 16.9226 17.2070 17.2070 k = 0.2444 0.2444 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8434 -40.8434 -40.8431 -40.8431 -15.8313 -15.8313 -15.7922 -15.7922 -15.7666 -15.7666 -15.7265 -15.7265 1.0329 1.0329 1.1143 1.1143 1.2663 1.2663 1.4188 1.4188 1.6836 1.6836 1.9438 1.9438 2.1384 2.1384 2.3166 2.3166 3.0267 3.0267 3.1004 3.1004 3.1793 3.1793 3.4582 3.4582 5.6950 5.6950 5.8683 5.8683 5.9347 5.9347 6.0938 6.0938 6.3427 6.3427 6.6239 6.6239 6.6658 6.6658 7.2113 7.2113 7.6710 7.6710 8.3152 8.3152 14.8534 14.8534 15.1099 15.1099 17.0041 17.0041 17.2340 17.2340 k = 0.2333 0.2333 0.7312 ( 4308 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8434 -40.8434 -40.8431 -40.8431 -15.8321 -15.8321 -15.7956 -15.7956 -15.7633 -15.7633 -15.7258 -15.7258 1.0465 1.0465 1.1074 1.1074 1.2716 1.2716 1.4125 1.4125 1.6996 1.6996 1.9442 1.9442 2.1378 2.1378 2.3355 2.3355 3.0074 3.0074 3.0921 3.0921 3.1653 3.1653 3.4411 3.4411 5.7021 5.7021 5.8681 5.8681 5.9354 5.9354 6.0964 6.0964 6.3468 6.3468 6.6265 6.6265 6.6673 6.6673 7.2124 7.2124 7.6655 7.6655 8.3077 8.3077 14.8165 14.8165 15.0544 15.0544 17.0886 17.0886 17.2639 17.2639 k = 0.2222 0.2222 0.7312 ( 4304 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8434 -40.8434 -40.8431 -40.8431 -15.8328 -15.8328 -15.7990 -15.7990 -15.7599 -15.7599 -15.7252 -15.7252 1.0608 1.0608 1.1015 1.1015 1.2714 1.2714 1.4096 1.4096 1.7162 1.7162 1.9470 1.9470 2.1372 2.1372 2.3498 2.3498 2.9909 2.9909 3.0841 3.0841 3.1514 3.1514 3.4224 3.4224 5.7112 5.7112 5.8682 5.8682 5.9364 5.9364 6.0991 6.0991 6.3516 6.3516 6.6321 6.6321 6.6676 6.6676 7.2135 7.2135 7.6596 7.6596 8.2959 8.2959 14.7814 14.7814 15.0008 15.0008 17.1756 17.1756 17.2967 17.2967 k = 0.2111 0.2111 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9803 -40.9803 -40.9784 -40.9784 -40.8434 -40.8434 -40.8431 -40.8431 -15.8335 -15.8335 -15.8025 -15.8025 -15.7565 -15.7565 -15.7245 -15.7245 1.0747 1.0747 1.0976 1.0976 1.2658 1.2658 1.4100 1.4100 1.7331 1.7331 1.9519 1.9519 2.1367 2.1367 2.3588 2.3588 2.9778 2.9778 3.0766 3.0766 3.1379 3.1379 3.4024 3.4024 5.7220 5.7220 5.8686 5.8686 5.9377 5.9377 6.1020 6.1020 6.3570 6.3570 6.6403 6.6403 6.6671 6.6671 7.2145 7.2145 7.6534 7.6534 8.2800 8.2800 14.7482 14.7482 14.9492 14.9492 17.2645 17.2645 17.3326 17.3326 k = 0.2000 0.2000 0.7312 ( 4308 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8431 -40.8431 -15.8343 -15.8343 -15.8059 -15.8059 -15.7531 -15.7531 -15.7239 -15.7239 1.0817 1.0817 1.1021 1.1021 1.2556 1.2556 1.4129 1.4129 1.7504 1.7504 1.9589 1.9589 2.1361 2.1361 2.3621 2.3621 2.9686 2.9686 3.0693 3.0693 3.1246 3.1246 3.3813 3.3813 5.7342 5.7342 5.8690 5.8690 5.9392 5.9392 6.1047 6.1047 6.3628 6.3628 6.6499 6.6499 6.6668 6.6668 7.2155 7.2155 7.6468 7.6468 8.2599 8.2599 14.7168 14.7168 14.8998 14.8998 17.3538 17.3538 17.3730 17.3730 k = 0.1889 0.1889 0.7312 ( 4308 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8350 -15.8350 -15.8092 -15.8092 -15.7498 -15.7498 -15.7233 -15.7233 1.0796 1.0796 1.1174 1.1174 1.2422 1.2422 1.4173 1.4173 1.7680 1.7680 1.9676 1.9676 2.1356 2.1356 2.3596 2.3596 2.9635 2.9635 3.0624 3.0624 3.1116 3.1116 3.3592 3.3592 5.7478 5.7478 5.8697 5.8697 5.9412 5.9412 6.1076 6.1076 6.3691 6.3691 6.6541 6.6541 6.6738 6.6738 7.2165 7.2165 7.6399 7.6399 8.2359 8.2359 14.6874 14.6874 14.8526 14.8526 17.4114 17.4114 17.4495 17.4495 k = 0.1778 0.1778 0.7312 ( 4312 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8356 -15.8356 -15.8125 -15.8125 -15.7466 -15.7466 -15.7227 -15.7227 1.0756 1.0756 1.1360 1.1360 1.2268 1.2268 1.4224 1.4224 1.7857 1.7857 1.9779 1.9779 2.1350 2.1350 2.3512 2.3512 2.9624 2.9624 3.0558 3.0558 3.0991 3.0991 3.3365 3.3365 5.7623 5.7623 5.8705 5.8705 5.9437 5.9437 6.1105 6.1105 6.3758 6.3758 6.6509 6.6509 6.6900 6.6900 7.2174 7.2174 7.6328 7.6328 8.2080 8.2080 14.6598 14.6598 14.8079 14.8079 17.4568 17.4568 17.5423 17.5423 k = 0.1667 0.1667 0.7312 ( 4320 PWs) bands (ev): -76.5512 -76.5512 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9802 -40.9802 -40.9785 -40.9785 -40.8434 -40.8434 -40.8432 -40.8432 -15.8363 -15.8363 -15.8157 -15.8157 -15.7434 -15.7434 -15.7221 -15.7221 1.0714 1.0714 1.1560 1.1560 1.2104 1.2104 1.4275 1.4275 1.8036 1.8036 1.9893 1.9893 2.1345 2.1345 2.3374 2.3374 2.9650 2.9650 3.0495 3.0495 3.0871 3.0871 3.3132 3.3132 5.7775 5.7775 5.8715 5.8715 5.9469 5.9469 6.1132 6.1132 6.3828 6.3828 6.6449 6.6449 6.7106 6.7106 7.2183 7.2183 7.6256 7.6256 8.1765 8.1765 14.6340 14.6340 14.7656 14.7656 17.5050 17.5050 17.6360 17.6360 k = 0.1556 0.1556 0.7312 ( 4316 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3787 -45.3787 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8369 -15.8369 -15.8187 -15.8187 -15.7404 -15.7404 -15.7215 -15.7215 1.0674 1.0674 1.1753 1.1753 1.1952 1.1952 1.4322 1.4322 1.8216 1.8216 2.0018 2.0018 2.1340 2.1340 2.3189 2.3189 2.9709 2.9709 3.0435 3.0435 3.0757 3.0757 3.2898 3.2898 5.7929 5.7929 5.8726 5.8726 5.9510 5.9510 6.1160 6.1160 6.3902 6.3902 6.6375 6.6375 6.7348 6.7348 7.2192 7.2192 7.6183 7.6183 8.1416 8.1416 14.6102 14.6102 14.7259 14.7259 17.5563 17.5563 17.7298 17.7298 k = 0.1444 0.1444 0.7312 ( 4316 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9801 -40.9801 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8375 -15.8375 -15.8216 -15.8216 -15.7375 -15.7375 -15.7210 -15.7210 1.0637 1.0637 1.1725 1.1725 1.2031 1.2031 1.4365 1.4365 1.8394 1.8394 2.0149 2.0149 2.1335 2.1335 2.2964 2.2964 2.9792 2.9792 3.0376 3.0376 3.0649 3.0649 3.2663 3.2663 5.8080 5.8080 5.8737 5.8737 5.9563 5.9563 6.1186 6.1186 6.3977 6.3977 6.6288 6.6288 6.7621 6.7621 7.2200 7.2200 7.6109 7.6109 8.1035 8.1035 14.5881 14.5881 14.6888 14.6888 17.6109 17.6109 17.8232 17.8232 k = 0.1333 0.1333 0.7312 ( 4308 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9786 -40.9786 -40.8434 -40.8434 -40.8432 -40.8432 -15.8381 -15.8381 -15.8243 -15.8243 -15.7348 -15.7348 -15.7205 -15.7205 1.0602 1.0602 1.1564 1.1564 1.2255 1.2255 1.4402 1.4402 1.8571 1.8571 2.0283 2.0283 2.1330 2.1330 2.2706 2.2706 2.9893 2.9893 3.0319 3.0319 3.0548 3.0548 3.2432 3.2432 5.8223 5.8223 5.8749 5.8749 5.9631 5.9631 6.1212 6.1212 6.4053 6.4053 6.6191 6.6191 6.7923 6.7923 7.2208 7.2208 7.6037 7.6037 8.0626 8.0626 14.5679 14.5679 14.6544 14.6544 17.6689 17.6689 17.9155 17.9155 k = 0.1222 0.1222 0.7312 ( 4320 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3794 -45.3794 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8386 -15.8386 -15.8269 -15.8269 -15.7322 -15.7322 -15.7200 -15.7200 1.0570 1.0570 1.1400 1.1400 1.2494 1.2494 1.4434 1.4434 1.8743 1.8743 2.0417 2.0417 2.1323 2.1323 2.2425 2.2425 3.0005 3.0005 3.0263 3.0263 3.0455 3.0455 3.2207 3.2207 5.8353 5.8353 5.8760 5.8760 5.9716 5.9716 6.1234 6.1234 6.4128 6.4128 6.6083 6.6083 6.8253 6.8253 7.2215 7.2215 7.5964 7.5964 8.0189 8.0189 14.5494 14.5494 14.6226 14.6226 17.7302 17.7302 18.0062 18.0062 k = 0.1111 0.1111 0.7312 ( 4320 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9800 -40.9800 -40.9787 -40.9787 -40.8434 -40.8434 -40.8432 -40.8432 -15.8391 -15.8391 -15.8293 -15.8293 -15.7298 -15.7298 -15.7195 -15.7195 1.0541 1.0541 1.1243 1.1243 1.2739 1.2739 1.4461 1.4461 1.8910 1.8910 2.0549 2.0549 2.1317 2.1317 2.2129 2.2129 3.0120 3.0120 3.0207 3.0207 3.0373 3.0373 3.1991 3.1991 5.8466 5.8466 5.8771 5.8771 5.9820 5.9820 6.1255 6.1255 6.4203 6.4203 6.5968 6.5968 6.8609 6.8609 7.2221 7.2221 7.5895 7.5895 7.9730 7.9730 14.5326 14.5326 14.5936 14.5936 17.7950 17.7950 18.0945 18.0945 k = 0.1000 0.1000 0.7312 ( 4324 PWs) bands (ev): -76.5512 -76.5512 -76.5511 -76.5511 -45.3793 -45.3793 -45.3788 -45.3788 -40.9799 -40.9799 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8396 -15.8396 -15.8314 -15.8314 -15.7276 -15.7276 -15.7191 -15.7191 1.0515 1.0515 1.1095 1.1095 1.2987 1.2987 1.4482 1.4482 1.9070 1.9070 2.0675 2.0675 2.1307 2.1307 2.1828 2.1828 3.0151 3.0151 3.0220 3.0220 3.0316 3.0316 3.1787 3.1787 5.8560 5.8560 5.8782 5.8782 5.9943 5.9943 6.1273 6.1273 6.4276 6.4276 6.5847 6.5847 6.8988 6.8988 7.2227 7.2227 7.5829 7.5829 7.9252 7.9252 14.5175 14.5175 14.5674 14.5674 17.8633 17.8633 18.1795 18.1795 k = 0.0889 0.0889 0.7312 ( 4332 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3789 -45.3789 -40.9798 -40.9798 -40.9788 -40.9788 -40.8434 -40.8434 -40.8432 -40.8432 -15.8400 -15.8400 -15.8334 -15.8334 -15.7256 -15.7256 -15.7188 -15.7188 1.0492 1.0492 1.0958 1.0958 1.3236 1.3236 1.4500 1.4500 1.9221 1.9221 2.0793 2.0793 2.1280 2.1280 2.1540 2.1540 3.0096 3.0096 3.0206 3.0206 3.0376 3.0376 3.1599 3.1599 5.8634 5.8634 5.8791 5.8791 6.0081 6.0081 6.1287 6.1287 6.4347 6.4347 6.5722 6.5722 6.9389 6.9389 7.2232 7.2232 7.5767 7.5767 7.8760 7.8760 14.5041 14.5041 14.5439 14.5439 17.9350 17.9350 18.2605 18.2605 k = 0.0778 0.0778 0.7312 ( 4330 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3789 -45.3789 -40.9798 -40.9798 -40.9789 -40.9789 -40.8434 -40.8434 -40.8432 -40.8432 -15.8404 -15.8404 -15.8352 -15.8352 -15.7237 -15.7237 -15.7184 -15.7184 1.0472 1.0472 1.0834 1.0834 1.3481 1.3481 1.4514 1.4514 1.9362 1.9362 2.0900 2.0900 2.1145 2.1145 2.1370 2.1370 3.0044 3.0044 3.0149 3.0149 3.0478 3.0478 3.1429 3.1429 5.8691 5.8691 5.8800 5.8800 6.0230 6.0230 6.1297 6.1297 6.4416 6.4416 6.5596 6.5596 6.9807 6.9807 7.2237 7.2237 7.5710 7.5710 7.8257 7.8257 14.4924 14.4924 14.5231 14.5231 18.0102 18.0102 18.3364 18.3364 k = 0.0667 0.0667 0.7312 ( 4338 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3789 -45.3789 -40.9797 -40.9797 -40.9790 -40.9790 -40.8434 -40.8434 -40.8432 -40.8432 -15.8407 -15.8407 -15.8368 -15.8368 -15.7222 -15.7222 -15.7182 -15.7182 1.0455 1.0455 1.0724 1.0724 1.3717 1.3717 1.4526 1.4526 1.9489 1.9489 2.0868 2.0868 2.1012 2.1012 2.1337 2.1337 2.9996 2.9996 3.0093 3.0093 3.0575 3.0575 3.1280 3.1280 5.8734 5.8734 5.8808 5.8808 6.0384 6.0384 6.1300 6.1300 6.4481 6.4481 6.5469 6.5469 7.0237 7.0237 7.2241 7.2241 7.5658 7.5658 7.7752 7.7752 14.4823 14.4823 14.5052 14.5052 18.0889 18.0889 18.4060 18.4060 k = 0.0556 0.0556 0.7312 ( 4346 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9797 -40.9797 -40.9790 -40.9790 -40.8434 -40.8434 -40.8433 -40.8433 -15.8410 -15.8410 -15.8381 -15.8381 -15.7208 -15.7208 -15.7179 -15.7179 1.0440 1.0440 1.0630 1.0630 1.3939 1.3939 1.4534 1.4534 1.9601 1.9601 2.0607 2.0607 2.1090 2.1090 2.1327 2.1327 2.9954 2.9954 3.0040 3.0040 3.0661 3.0661 3.1154 3.1154 5.8766 5.8766 5.8815 5.8815 6.0537 6.0537 6.1297 6.1297 6.4543 6.4543 6.5346 6.5346 7.0671 7.0671 7.2245 7.2245 7.5613 7.5613 7.7251 7.7251 14.4738 14.4738 14.4900 14.4900 18.1709 18.1709 18.4680 18.4680 k = 0.0444 0.0444 0.7312 ( 4352 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9796 -40.9796 -40.9791 -40.9791 -40.8433 -40.8433 -40.8433 -40.8433 -15.8412 -15.8412 -15.8392 -15.8392 -15.7197 -15.7197 -15.7177 -15.7177 1.0427 1.0427 1.0552 1.0552 1.4140 1.4140 1.4541 1.4541 1.9695 1.9695 2.0367 2.0367 2.1161 2.1161 2.1321 2.1321 2.9919 2.9919 2.9992 2.9992 3.0734 3.0734 3.1050 3.1050 5.8789 5.8789 5.8821 5.8821 6.0682 6.0682 6.1285 6.1285 6.4604 6.4604 6.5229 6.5229 7.1098 7.1098 7.2247 7.2247 7.5576 7.5576 7.6768 7.6768 14.4668 14.4668 14.4775 14.4775 18.2560 18.2560 18.5212 18.5212 k = 0.0333 0.0333 0.7312 ( 4360 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9795 -40.9795 -40.9791 -40.9791 -40.8433 -40.8433 -40.8433 -40.8433 -15.8414 -15.8414 -15.8401 -15.8401 -15.7188 -15.7188 -15.7176 -15.7176 1.0418 1.0418 1.0489 1.0489 1.4310 1.4310 1.4546 1.4546 1.9772 1.9772 2.0163 2.0163 2.1218 2.1218 2.1317 2.1317 2.9893 2.9893 2.9949 2.9949 3.0791 3.0791 3.0971 3.0971 5.8805 5.8805 5.8825 5.8825 6.0815 6.0815 6.1264 6.1264 6.4663 6.4663 6.5120 6.5120 7.1501 7.1501 7.2249 7.2249 7.5545 7.5545 7.6322 7.6322 14.4614 14.4614 14.4678 14.4678 18.3439 18.3439 18.5639 18.5639 k = 0.0222 0.0222 0.7312 ( 4364 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3790 -45.3790 -40.9795 -40.9795 -40.9792 -40.9792 -40.8433 -40.8433 -40.8433 -40.8433 -15.8415 -15.8415 -15.8408 -15.8408 -15.7182 -15.7182 -15.7175 -15.7175 1.0412 1.0412 1.0444 1.0444 1.4440 1.4440 1.4549 1.4549 1.9827 1.9827 2.0007 2.0007 2.1260 2.1260 2.1314 2.1314 2.9876 2.9876 2.9914 2.9914 3.0833 3.0833 3.0916 3.0916 5.8816 5.8816 5.8828 5.8828 6.0934 6.0934 6.1230 6.1230 6.4723 6.4723 6.5021 6.5021 7.1850 7.1850 7.2249 7.2249 7.5525 7.5525 7.5940 7.5940 14.4576 14.4576 14.4609 14.4609 18.4331 18.4331 18.5939 18.5939 k = 0.0111 0.0111 0.7312 ( 4368 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3791 -45.3791 -45.3791 -45.3791 -40.9794 -40.9794 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8415 -15.8415 -15.8412 -15.8412 -15.7178 -15.7178 -15.7175 -15.7175 1.0408 1.0408 1.0417 1.0417 1.4523 1.4523 1.4551 1.4551 1.9862 1.9862 1.9909 1.9909 2.1287 2.1287 2.1310 2.1310 2.9869 2.9869 2.9889 2.9889 3.0859 3.0859 3.0883 3.0883 5.8823 5.8823 5.8828 5.8828 6.1035 6.1035 6.1182 6.1182 6.4786 6.4786 6.4933 6.4933 7.2103 7.2103 7.2246 7.2246 7.5516 7.5516 7.5667 7.5667 14.4554 14.4554 14.4567 14.4567 18.5195 18.5195 18.6065 18.6065 k = 0.0000 0.0000 0.7312 ( 4368 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8414 -15.8414 -15.8414 -15.8414 -15.7175 -15.7175 -15.7175 -15.7175 1.0407 1.0407 1.0407 1.0407 1.4552 1.4552 1.4552 1.4552 1.9874 1.9874 1.9874 1.9874 2.1303 2.1303 2.1303 2.1303 2.9873 2.9873 2.9873 2.9873 3.0870 3.0870 3.0870 3.0870 5.8827 5.8827 5.8827 5.8827 6.1118 6.1118 6.1118 6.1118 6.4856 6.4856 6.4856 6.4856 7.2221 7.2221 7.2221 7.2221 7.5540 7.5540 7.5540 7.5540 14.4550 14.4550 14.4550 14.4550 18.5862 18.5862 18.5862 18.5862 k = 0.0000 0.5000-0.0000 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3737 -45.3737 -45.3737 -45.3737 -40.9616 -40.9616 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9700 -15.9700 -15.9700 -15.9700 -15.6753 -15.6753 -15.6753 -15.6753 0.8181 0.8181 0.8181 0.8181 1.3299 1.3299 1.3299 1.3299 1.8685 1.8685 1.8685 1.8685 2.4718 2.4718 2.4718 2.4718 2.5968 2.5968 2.5968 2.5968 3.5954 3.5954 3.5954 3.5954 5.9473 5.9473 5.9473 5.9473 5.9813 5.9813 5.9813 5.9813 6.5027 6.5027 6.5027 6.5027 7.6959 7.6959 7.6959 7.6959 8.0831 8.0831 8.0831 8.0831 12.2407 12.2407 12.2407 12.2407 16.9403 16.9403 16.9403 16.9403 k = 0.0000 0.5000 0.0156 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3737 -45.3737 -40.9617 -40.9617 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9699 -15.9699 -15.9697 -15.9697 -15.6754 -15.6754 -15.6752 -15.6752 0.8182 0.8182 0.8196 0.8196 1.3292 1.3292 1.3297 1.3297 1.8693 1.8693 1.8698 1.8698 2.4653 2.4653 2.4724 2.4724 2.5944 2.5944 2.6018 2.6018 3.5951 3.5951 3.5958 3.5958 5.9458 5.9458 5.9473 5.9473 5.9810 5.9810 5.9842 5.9842 6.4992 6.4992 6.5059 6.5059 7.6904 7.6904 7.6998 7.6998 8.0798 8.0798 8.0853 8.0853 12.2427 12.2427 12.2433 12.2433 16.9420 16.9420 16.9421 16.9421 k = 0.0000 0.5000 0.0311 ( 4290 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3737 -45.3737 -40.9618 -40.9618 -40.9616 -40.9616 -40.8466 -40.8466 -40.8466 -40.8466 -15.9695 -15.9695 -15.9691 -15.9691 -15.6758 -15.6758 -15.6754 -15.6754 0.8198 0.8198 0.8227 0.8227 1.3279 1.3279 1.3289 1.3289 1.8720 1.8720 1.8731 1.8731 2.4537 2.4537 2.4667 2.4667 2.5949 2.5949 2.6083 2.6083 3.5949 3.5949 3.5965 3.5965 5.9434 5.9434 5.9457 5.9457 5.9832 5.9832 5.9891 5.9891 6.4953 6.4953 6.5089 6.5089 7.6831 7.6831 7.7019 7.7019 8.0754 8.0754 8.0862 8.0862 12.2495 12.2495 12.2506 12.2506 16.9473 16.9473 16.9475 16.9475 k = 0.0000 0.5000 0.0467 ( 4298 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3739 -45.3739 -45.3737 -45.3737 -40.9619 -40.9619 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9687 -15.9687 -15.9682 -15.9682 -15.6763 -15.6763 -15.6757 -15.6757 0.8229 0.8229 0.8273 0.8273 1.3259 1.3259 1.3274 1.3274 1.8766 1.8766 1.8783 1.8783 2.4380 2.4380 2.4548 2.4548 2.5981 2.5981 2.6157 2.6157 3.5949 3.5949 3.5973 3.5973 5.9406 5.9406 5.9430 5.9430 5.9874 5.9874 5.9953 5.9953 6.4912 6.4912 6.5116 6.5116 7.6741 7.6741 7.7020 7.7020 8.0700 8.0700 8.0860 8.0860 12.2609 12.2609 12.2625 12.2625 16.9560 16.9560 16.9565 16.9565 k = 0.0000 0.5000 0.0622 ( 4302 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3739 -45.3739 -45.3738 -45.3738 -40.9621 -40.9621 -40.9618 -40.9618 -40.8466 -40.8466 -40.8465 -40.8465 -15.9676 -15.9676 -15.9668 -15.9668 -15.6770 -15.6770 -15.6761 -15.6761 0.8276 0.8276 0.8334 0.8334 1.3233 1.3233 1.3253 1.3253 1.8831 1.8831 1.8854 1.8854 2.4186 2.4186 2.4378 2.4378 2.6035 2.6035 2.6235 2.6235 3.5950 3.5950 3.5981 3.5981 5.9380 5.9380 5.9398 5.9398 5.9929 5.9929 6.0023 6.0023 6.4867 6.4867 6.5141 6.5141 7.6633 7.6633 7.6999 7.6999 8.0640 8.0640 8.0848 8.0848 12.2769 12.2769 12.2791 12.2791 16.9682 16.9682 16.9689 16.9689 k = 0.0000 0.5000 0.0778 ( 4302 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3740 -45.3740 -45.3738 -45.3738 -40.9623 -40.9623 -40.9619 -40.9619 -40.8466 -40.8466 -40.8465 -40.8465 -15.9662 -15.9662 -15.9652 -15.9652 -15.6778 -15.6778 -15.6767 -15.6767 0.8338 0.8338 0.8411 0.8411 1.3202 1.3202 1.3228 1.3228 1.8912 1.8912 1.8941 1.8941 2.3962 2.3962 2.4163 2.4163 2.6103 2.6103 2.6315 2.6315 3.5950 3.5950 3.5989 3.5989 5.9356 5.9356 5.9366 5.9366 5.9992 5.9992 6.0101 6.0101 6.4821 6.4821 6.5165 6.5165 7.6506 7.6506 7.6955 7.6955 8.0577 8.0577 8.0830 8.0830 12.2974 12.2974 12.3001 12.3001 16.9837 16.9837 16.9847 16.9847 k = 0.0000 0.5000 0.0933 ( 4294 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3741 -45.3741 -45.3738 -45.3738 -40.9626 -40.9626 -40.9621 -40.9621 -40.8465 -40.8465 -40.8465 -40.8465 -15.9644 -15.9644 -15.9632 -15.9632 -15.6787 -15.6787 -15.6775 -15.6775 0.8414 0.8414 0.8503 0.8503 1.3169 1.3169 1.3201 1.3201 1.9008 1.9008 1.9044 1.9044 2.3708 2.3708 2.3913 2.3913 2.6182 2.6182 2.6396 2.6396 3.5950 3.5950 3.5995 3.5995 5.9336 5.9336 5.9336 5.9336 6.0060 6.0060 6.0183 6.0183 6.4772 6.4772 6.5187 6.5187 7.6360 7.6360 7.6884 7.6884 8.0517 8.0517 8.0807 8.0807 12.3223 12.3223 12.3255 12.3255 17.0024 17.0024 17.0038 17.0038 k = 0.0000 0.5000 0.1089 ( 4294 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3742 -45.3742 -45.3739 -45.3739 -40.9629 -40.9629 -40.9623 -40.9623 -40.8465 -40.8465 -40.8464 -40.8464 -15.9623 -15.9623 -15.9609 -15.9609 -15.6798 -15.6798 -15.6784 -15.6784 0.8505 0.8505 0.8609 0.8609 1.3134 1.3134 1.3172 1.3172 1.9115 1.9115 1.9160 1.9160 2.3428 2.3428 2.3631 2.3631 2.6267 2.6267 2.6478 2.6478 3.5947 3.5947 3.5998 3.5998 5.9307 5.9307 5.9320 5.9320 6.0130 6.0130 6.0268 6.0268 6.4720 6.4720 6.5207 6.5207 7.6192 7.6192 7.6783 7.6783 8.0462 8.0462 8.0781 8.0781 12.3516 12.3516 12.3551 12.3551 17.0241 17.0241 17.0260 17.0260 k = 0.0000 0.5000 0.1245 ( 4304 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3743 -45.3743 -45.3740 -45.3740 -40.9632 -40.9632 -40.9625 -40.9625 -40.8465 -40.8465 -40.8463 -40.8463 -15.9599 -15.9599 -15.9583 -15.9583 -15.6811 -15.6811 -15.6795 -15.6795 0.8610 0.8610 0.8730 0.8730 1.3098 1.3098 1.3141 1.3141 1.9233 1.9233 1.9286 1.9286 2.3125 2.3125 2.3323 2.3323 2.6357 2.6357 2.6562 2.6562 3.5940 3.5940 3.5997 3.5997 5.9279 5.9279 5.9305 5.9305 6.0201 6.0201 6.0355 6.0355 6.4667 6.4667 6.5227 6.5227 7.6002 7.6002 7.6649 7.6649 8.0417 8.0417 8.0757 8.0757 12.3850 12.3850 12.3889 12.3889 17.0486 17.0486 17.0512 17.0512 k = 0.0000 0.5000 0.1400 ( 4312 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3744 -45.3744 -45.3740 -45.3740 -40.9636 -40.9636 -40.9628 -40.9628 -40.8464 -40.8464 -40.8463 -40.8463 -15.9572 -15.9572 -15.9554 -15.9554 -15.6825 -15.6825 -15.6807 -15.6807 0.8728 0.8728 0.8864 0.8864 1.3063 1.3063 1.3112 1.3112 1.9357 1.9357 1.9419 1.9419 2.2802 2.2802 2.2995 2.2995 2.6453 2.6453 2.6648 2.6648 3.5929 3.5929 3.5991 3.5991 5.9252 5.9252 5.9293 5.9293 6.0271 6.0271 6.0444 6.0444 6.4612 6.4612 6.5246 6.5246 7.5790 7.5790 7.6482 7.6482 8.0386 8.0386 8.0736 8.0736 12.4225 12.4225 12.4268 12.4268 17.0757 17.0757 17.0791 17.0791 k = 0.0000 0.5000 0.1556 ( 4316 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3745 -45.3745 -45.3741 -45.3741 -40.9640 -40.9640 -40.9631 -40.9631 -40.8463 -40.8463 -40.8462 -40.8462 -15.9541 -15.9541 -15.9522 -15.9522 -15.6840 -15.6840 -15.6820 -15.6820 0.8860 0.8860 0.9011 0.9011 1.3029 1.3029 1.3085 1.3085 1.9484 1.9484 1.9558 1.9558 2.2463 2.2463 2.2650 2.2650 2.6553 2.6553 2.6737 2.6737 3.5912 3.5912 3.5979 3.5979 5.9226 5.9226 5.9282 5.9282 6.0339 6.0339 6.0534 6.0534 6.4556 6.4556 6.5266 6.5266 7.5555 7.5555 7.6280 7.6280 8.0372 8.0372 8.0721 8.0721 12.4640 12.4640 12.4685 12.4685 17.1052 17.1052 17.1095 17.1095 k = 0.0000 0.5000 0.1711 ( 4308 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3746 -45.3746 -45.3742 -45.3742 -40.9644 -40.9644 -40.9634 -40.9634 -40.8463 -40.8463 -40.8461 -40.8461 -15.9508 -15.9508 -15.9487 -15.9487 -15.6857 -15.6857 -15.6835 -15.6835 0.9003 0.9003 0.9172 0.9172 1.3001 1.3001 1.3064 1.3064 1.9608 1.9608 1.9696 1.9696 2.2113 2.2113 2.2296 2.2296 2.6658 2.6658 2.6830 2.6830 3.5890 3.5890 3.5961 3.5961 5.9200 5.9200 5.9272 5.9272 6.0404 6.0404 6.0623 6.0623 6.4501 6.4501 6.5287 6.5287 7.5298 7.5298 7.6046 7.6046 8.0376 8.0376 8.0715 8.0715 12.5092 12.5092 12.5139 12.5139 17.1367 17.1367 17.1422 17.1422 k = 0.0000 0.5000 0.1867 ( 4310 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3748 -45.3748 -45.3743 -45.3743 -40.9649 -40.9649 -40.9638 -40.9638 -40.8462 -40.8462 -40.8460 -40.8460 -15.9473 -15.9473 -15.9450 -15.9450 -15.6875 -15.6875 -15.6851 -15.6851 0.9159 0.9159 0.9344 0.9344 1.2977 1.2977 1.3047 1.3047 1.9721 1.9721 1.9824 1.9824 2.1762 2.1762 2.1943 2.1943 2.6767 2.6767 2.6927 2.6927 3.5861 3.5861 3.5935 3.5935 5.9172 5.9172 5.9260 5.9260 6.0464 6.0464 6.0712 6.0712 6.4445 6.4445 6.5308 6.5308 7.5021 7.5021 7.5780 7.5780 8.0397 8.0397 8.0717 8.0717 12.5581 12.5581 12.5629 12.5629 17.1698 17.1698 17.1768 17.1768 k = 0.0000 0.5000 0.2022 ( 4308 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3749 -45.3749 -45.3744 -45.3744 -40.9653 -40.9653 -40.9642 -40.9642 -40.8461 -40.8461 -40.8459 -40.8459 -15.9434 -15.9434 -15.9410 -15.9410 -15.6894 -15.6894 -15.6868 -15.6868 0.9325 0.9325 0.9527 0.9527 1.2959 1.2959 1.3037 1.3037 1.9807 1.9807 1.9926 1.9926 2.1427 2.1427 2.1607 2.1607 2.6880 2.6880 2.7026 2.7026 3.5826 3.5826 3.5902 3.5902 5.9142 5.9142 5.9245 5.9245 6.0520 6.0520 6.0799 6.0799 6.4392 6.4392 6.5332 6.5332 7.4723 7.4723 7.5486 7.5486 8.0435 8.0435 8.0730 8.0730 12.6104 12.6104 12.6153 12.6153 17.2043 17.2043 17.2129 17.2129 k = 0.0000 0.5000 0.2178 ( 4304 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3751 -45.3751 -45.3746 -45.3746 -40.9658 -40.9658 -40.9646 -40.9646 -40.8461 -40.8461 -40.8459 -40.8459 -15.9394 -15.9394 -15.9367 -15.9367 -15.6914 -15.6914 -15.6886 -15.6886 0.9501 0.9501 0.9720 0.9720 1.2948 1.2948 1.3033 1.3033 1.9836 1.9836 1.9964 1.9964 2.1149 2.1149 2.1320 2.1320 2.6997 2.6997 2.7130 2.7130 3.5784 3.5784 3.5862 3.5862 5.9108 5.9108 5.9225 5.9225 6.0570 6.0570 6.0884 6.0884 6.4340 6.4340 6.5357 6.5357 7.4408 7.4408 7.5167 7.5167 8.0490 8.0490 8.0754 8.0754 12.6660 12.6660 12.6709 12.6709 17.2396 17.2396 17.2501 17.2501 k = 0.0000 0.5000 0.2334 ( 4296 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3753 -45.3753 -45.3747 -45.3747 -40.9664 -40.9664 -40.9651 -40.9651 -40.8460 -40.8460 -40.8458 -40.8458 -15.9351 -15.9351 -15.9322 -15.9322 -15.6935 -15.6935 -15.6906 -15.6906 0.9686 0.9686 0.9923 0.9923 1.2946 1.2946 1.3039 1.3039 1.9760 1.9760 1.9870 1.9870 2.0993 2.0993 2.1128 2.1128 2.7118 2.7118 2.7237 2.7237 3.5736 3.5736 3.5815 3.5815 5.9070 5.9070 5.9201 5.9201 6.0613 6.0613 6.0966 6.0966 6.4291 6.4291 6.5384 6.5384 7.4078 7.4078 7.4827 7.4827 8.0559 8.0559 8.0789 8.0789 12.7249 12.7249 12.7297 12.7297 17.2751 17.2751 17.2878 17.2878 k = 0.0000 0.5000 0.2489 ( 4300 PWs) bands (ev): -76.5518 -76.5518 -76.5518 -76.5518 -45.3754 -45.3754 -45.3748 -45.3748 -40.9669 -40.9669 -40.9656 -40.9656 -40.8459 -40.8459 -40.8456 -40.8456 -15.9306 -15.9306 -15.9276 -15.9276 -15.6957 -15.6957 -15.6926 -15.6926 0.9878 0.9878 1.0133 1.0133 1.2953 1.2953 1.3054 1.3054 1.9551 1.9551 1.9623 1.9623 2.0984 2.0984 2.1062 2.1062 2.7242 2.7242 2.7347 2.7347 3.5682 3.5682 3.5760 3.5760 5.9026 5.9026 5.9169 5.9169 6.0649 6.0649 6.1043 6.1043 6.4246 6.4246 6.5414 6.5414 7.3734 7.3734 7.4468 7.4468 8.0641 8.0641 8.0834 8.0834 12.7867 12.7867 12.7915 12.7915 17.3104 17.3104 17.3255 17.3255 k = 0.0000 0.5000 0.2645 ( 4314 PWs) bands (ev): -76.5518 -76.5518 -76.5518 -76.5518 -45.3756 -45.3756 -45.3750 -45.3750 -40.9675 -40.9675 -40.9661 -40.9661 -40.8458 -40.8458 -40.8455 -40.8455 -15.9259 -15.9259 -15.9228 -15.9228 -15.6980 -15.6980 -15.6947 -15.6947 1.0076 1.0076 1.0349 1.0349 1.2969 1.2969 1.3079 1.3079 1.9239 1.9239 1.9278 1.9278 2.1065 2.1065 2.1095 2.1095 2.7368 2.7368 2.7459 2.7459 3.5621 3.5621 3.5699 3.5699 5.8975 5.8975 5.9129 5.9129 6.0675 6.0675 6.1115 6.1115 6.4205 6.4205 6.5445 6.5445 7.3379 7.3379 7.4095 7.4095 8.0735 8.0735 8.0890 8.0890 12.8515 12.8515 12.8561 12.8561 17.3446 17.3446 17.3625 17.3625 k = 0.0000 0.5000 0.2800 ( 4310 PWs) bands (ev): -76.5518 -76.5518 -76.5518 -76.5518 -45.3758 -45.3758 -45.3751 -45.3751 -40.9681 -40.9681 -40.9666 -40.9666 -40.8457 -40.8457 -40.8454 -40.8454 -15.9211 -15.9211 -15.9177 -15.9177 -15.7004 -15.7004 -15.6970 -15.6970 1.0279 1.0279 1.0569 1.0569 1.2998 1.2998 1.3115 1.3115 1.8868 1.8868 1.8888 1.8888 2.1182 2.1182 2.1188 2.1188 2.7496 2.7496 2.7574 2.7574 3.5556 3.5556 3.5633 3.5633 5.8918 5.8918 5.9081 5.9081 6.0694 6.0694 6.1182 6.1182 6.4171 6.4171 6.5480 6.5480 7.3017 7.3017 7.3711 7.3711 8.0838 8.0838 8.0955 8.0955 12.9190 12.9190 12.9235 12.9235 17.3772 17.3772 17.3979 17.3979 k = 0.0000 0.5000 0.2956 ( 4308 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3760 -45.3760 -45.3753 -45.3753 -40.9687 -40.9687 -40.9671 -40.9671 -40.8456 -40.8456 -40.8453 -40.8453 -15.9161 -15.9161 -15.9126 -15.9126 -15.7028 -15.7028 -15.6993 -15.6993 1.0485 1.0485 1.0791 1.0791 1.3040 1.3040 1.3164 1.3164 1.8467 1.8467 1.8478 1.8478 2.1296 2.1296 2.1328 2.1328 2.7625 2.7625 2.7690 2.7690 3.5487 3.5487 3.5561 3.5561 5.8854 5.8854 5.9024 5.9024 6.0704 6.0704 6.1241 6.1241 6.4142 6.4142 6.5518 6.5518 7.2650 7.2650 7.3319 7.3319 8.0951 8.0951 8.1030 8.1030 12.9892 12.9892 12.9934 12.9934 17.4071 17.4071 17.4309 17.4309 k = 0.0000 0.5000 0.3111 ( 4312 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3762 -45.3762 -45.3754 -45.3754 -40.9693 -40.9693 -40.9676 -40.9676 -40.8455 -40.8455 -40.8452 -40.8452 -15.9110 -15.9110 -15.9073 -15.9073 -15.7054 -15.7054 -15.7016 -15.7016 1.0692 1.0692 1.1013 1.1013 1.3097 1.3097 1.3225 1.3225 1.8053 1.8053 1.8059 1.8059 2.1421 2.1421 2.1474 2.1474 2.7754 2.7754 2.7805 2.7805 3.5415 3.5415 3.5486 3.5486 5.8783 5.8783 5.8957 5.8957 6.0703 6.0703 6.1292 6.1292 6.4122 6.4122 6.5558 6.5558 7.2280 7.2280 7.2922 7.2922 8.1070 8.1070 8.1112 8.1112 13.0618 13.0618 13.0657 13.0657 17.4334 17.4334 17.4604 17.4604 k = 0.0000 0.5000 0.3267 ( 4312 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3763 -45.3763 -45.3756 -45.3756 -40.9699 -40.9699 -40.9682 -40.9682 -40.8454 -40.8454 -40.8451 -40.8451 -15.9057 -15.9057 -15.9019 -15.9019 -15.7079 -15.7079 -15.7041 -15.7041 1.0899 1.0899 1.1232 1.1232 1.3169 1.3169 1.3299 1.3299 1.7635 1.7635 1.7639 1.7639 2.1551 2.1551 2.1621 2.1621 2.7881 2.7881 2.7920 2.7920 3.5341 3.5341 3.5407 3.5407 5.8705 5.8705 5.8881 5.8881 6.0693 6.0693 6.1334 6.1334 6.4110 6.4110 6.5600 6.5600 7.1911 7.1911 7.2523 7.2523 8.1195 8.1195 8.1202 8.1202 13.1368 13.1368 13.1404 13.1404 17.4552 17.4552 17.4854 17.4854 k = 0.0000 0.5000 0.3423 ( 4308 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3765 -45.3765 -45.3758 -45.3758 -40.9705 -40.9705 -40.9687 -40.9687 -40.8453 -40.8453 -40.8450 -40.8450 -15.9004 -15.9004 -15.8964 -15.8964 -15.7106 -15.7106 -15.7065 -15.7065 1.1103 1.1103 1.1444 1.1444 1.3259 1.3259 1.3386 1.3386 1.7218 1.7218 1.7222 1.7222 2.1682 2.1682 2.1767 2.1767 2.8006 2.8006 2.8033 2.8033 3.5266 3.5266 3.5327 3.5327 5.8619 5.8619 5.8796 5.8796 6.0672 6.0672 6.1365 6.1365 6.4107 6.4107 6.5646 6.5646 7.1544 7.1544 7.2124 7.2124 8.1298 8.1298 8.1325 8.1325 13.2141 13.2141 13.2174 13.2174 17.4713 17.4713 17.5045 17.5045 k = 0.0000 0.5000 0.3578 ( 4310 PWs) bands (ev): -76.5516 -76.5516 -76.5516 -76.5516 -45.3767 -45.3767 -45.3759 -45.3759 -40.9711 -40.9711 -40.9693 -40.9693 -40.8452 -40.8452 -40.8449 -40.8449 -15.8950 -15.8950 -15.8908 -15.8908 -15.7132 -15.7132 -15.7091 -15.7091 1.1302 1.1302 1.1646 1.1646 1.3366 1.3366 1.3486 1.3486 1.6808 1.6808 1.6812 1.6812 2.1810 2.1810 2.1909 2.1909 2.8128 2.8128 2.8143 2.8143 3.5191 3.5191 3.5247 3.5247 5.8527 5.8527 5.8701 5.8701 6.0641 6.0641 6.1384 6.1384 6.4113 6.4113 6.5693 6.5693 7.1183 7.1183 7.1728 7.1728 8.1399 8.1399 8.1458 8.1458 13.2936 13.2936 13.2964 13.2964 17.4806 17.4806 17.5165 17.5165 k = 0.0000 0.5000 0.3734 ( 4300 PWs) bands (ev): -76.5516 -76.5516 -76.5516 -76.5516 -45.3769 -45.3769 -45.3761 -45.3761 -40.9718 -40.9718 -40.9698 -40.9698 -40.8451 -40.8451 -40.8447 -40.8447 -15.8895 -15.8895 -15.8852 -15.8852 -15.7159 -15.7159 -15.7117 -15.7117 1.1495 1.1495 1.1836 1.1836 1.3492 1.3492 1.3597 1.3597 1.6410 1.6410 1.6414 1.6414 2.1936 2.1936 2.2047 2.2047 2.8244 2.8244 2.8248 2.8248 3.5119 3.5119 3.5167 3.5167 5.8428 5.8428 5.8599 5.8599 6.0599 6.0599 6.1393 6.1393 6.4128 6.4128 6.5742 6.5742 7.0829 7.0829 7.1338 7.1338 8.1504 8.1504 8.1594 8.1594 13.3751 13.3751 13.3775 13.3775 17.4821 17.4821 17.5201 17.5201 k = 0.0000 0.5000 0.3889 ( 4296 PWs) bands (ev): -76.5516 -76.5516 -76.5516 -76.5516 -45.3771 -45.3771 -45.3762 -45.3762 -40.9724 -40.9724 -40.9704 -40.9704 -40.8449 -40.8449 -40.8446 -40.8446 -15.8840 -15.8840 -15.8796 -15.8796 -15.7187 -15.7187 -15.7143 -15.7143 1.1681 1.1681 1.2012 1.2012 1.3631 1.3631 1.3713 1.3713 1.6030 1.6030 1.6034 1.6034 2.2058 2.2058 2.2180 2.2180 2.8347 2.8347 2.8353 2.8353 3.5049 3.5049 3.5090 3.5090 5.8323 5.8323 5.8489 5.8489 6.0547 6.0547 6.1390 6.1390 6.4151 6.4151 6.5793 6.5793 7.0486 7.0486 7.0956 7.0956 8.1612 8.1612 8.1731 8.1731 13.4585 13.4585 13.4604 13.4604 17.4749 17.4749 17.5142 17.5142 k = 0.0000 0.5000 0.4045 ( 4304 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3773 -45.3773 -45.3764 -45.3764 -40.9730 -40.9730 -40.9710 -40.9710 -40.8448 -40.8448 -40.8445 -40.8445 -15.8785 -15.8785 -15.8739 -15.8739 -15.7214 -15.7214 -15.7169 -15.7169 1.1856 1.1856 1.2171 1.2171 1.3774 1.3774 1.3826 1.3826 1.5679 1.5679 1.5681 1.5681 2.2174 2.2174 2.2307 2.2307 2.8437 2.8437 2.8453 2.8453 3.4983 3.4983 3.5016 3.5016 5.8213 5.8213 5.8372 5.8372 6.0484 6.0484 6.1374 6.1374 6.4181 6.4181 6.5843 6.5843 7.0154 7.0154 7.0582 7.0582 8.1722 8.1722 8.1869 8.1869 13.5438 13.5438 13.5452 13.5452 17.4581 17.4581 17.4979 17.4979 k = 0.0000 0.5000 0.4200 ( 4312 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3775 -45.3775 -45.3766 -45.3766 -40.9736 -40.9736 -40.9715 -40.9715 -40.8447 -40.8447 -40.8444 -40.8444 -15.8731 -15.8731 -15.8683 -15.8683 -15.7242 -15.7242 -15.7196 -15.7196 1.2021 1.2021 1.2313 1.2313 1.3905 1.3905 1.3917 1.3917 1.5374 1.5374 1.5375 1.5375 2.2286 2.2286 2.2428 2.2428 2.8519 2.8519 2.8544 2.8544 3.4923 3.4923 3.4947 3.4947 5.8098 5.8098 5.8250 5.8250 6.0412 6.0412 6.1348 6.1348 6.4218 6.4218 6.5893 6.5893 6.9835 6.9835 7.0219 7.0219 8.1834 8.1834 8.2006 8.2006 13.6308 13.6308 13.6318 13.6318 17.4313 17.4313 17.4706 17.4706 k = 0.0000 0.5000 0.4356 ( 4312 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3777 -45.3777 -45.3767 -45.3767 -40.9742 -40.9742 -40.9721 -40.9721 -40.8446 -40.8446 -40.8443 -40.8443 -15.8676 -15.8676 -15.8627 -15.8627 -15.7270 -15.7270 -15.7223 -15.7223 1.2174 1.2174 1.2438 1.2438 1.3953 1.3953 1.3983 1.3983 1.5152 1.5152 1.5156 1.5156 2.2393 2.2393 2.2545 2.2545 2.8590 2.8590 2.8623 2.8623 3.4870 3.4870 3.4884 3.4884 5.7980 5.7980 5.8123 5.8123 6.0331 6.0331 6.1313 6.1313 6.4260 6.4260 6.5942 6.5942 6.9532 6.9532 6.9870 6.9870 8.1947 8.1947 8.2142 8.2142 13.7195 13.7195 13.7200 13.7200 17.3945 17.3945 17.4322 17.4322 k = 0.0000 0.5000 0.4512 ( 4308 PWs) bands (ev): -76.5514 -76.5514 -76.5514 -76.5514 -45.3778 -45.3778 -45.3769 -45.3769 -40.9748 -40.9748 -40.9726 -40.9726 -40.8445 -40.8445 -40.8442 -40.8442 -15.8622 -15.8622 -15.8571 -15.8571 -15.7298 -15.7298 -15.7250 -15.7250 1.2312 1.2312 1.2544 1.2544 1.3890 1.3890 1.3956 1.3956 1.5065 1.5065 1.5071 1.5071 2.2496 2.2496 2.2656 2.2656 2.8649 2.8649 2.8689 2.8689 3.4825 3.4825 3.4828 3.4828 5.7860 5.7860 5.7993 5.7993 6.0241 6.0241 6.1269 6.1269 6.4306 6.4306 6.5989 6.5989 6.9246 6.9246 6.9535 6.9535 8.2059 8.2059 8.2276 8.2276 13.8097 13.8097 13.8097 13.8097 17.3476 17.3476 17.3831 17.3831 k = 0.0000 0.5000 0.4667 ( 4300 PWs) bands (ev): -76.5514 -76.5514 -76.5514 -76.5514 -45.3780 -45.3780 -45.3770 -45.3770 -40.9754 -40.9754 -40.9731 -40.9731 -40.8444 -40.8444 -40.8441 -40.8441 -15.8568 -15.8568 -15.8516 -15.8516 -15.7325 -15.7325 -15.7277 -15.7277 1.2428 1.2428 1.2623 1.2623 1.3737 1.3737 1.3824 1.3824 1.5101 1.5101 1.5135 1.5135 2.2595 2.2595 2.2762 2.2762 2.8695 2.8695 2.8742 2.8742 3.4781 3.4781 3.4788 3.4788 5.7738 5.7738 5.7861 5.7861 6.0145 6.0145 6.1218 6.1218 6.4353 6.4353 6.6032 6.6032 6.8980 6.8980 6.9217 6.9217 8.2170 8.2170 8.2408 8.2408 13.9010 13.9010 13.9015 13.9015 17.2913 17.2913 17.3238 17.3238 k = 0.0000 0.5000 0.4823 ( 4300 PWs) bands (ev): -76.5514 -76.5514 -76.5514 -76.5514 -45.3782 -45.3782 -45.3772 -45.3772 -40.9759 -40.9759 -40.9736 -40.9736 -40.8443 -40.8443 -40.8440 -40.8440 -15.8515 -15.8515 -15.8461 -15.8461 -15.7353 -15.7353 -15.7304 -15.7304 1.2509 1.2509 1.2659 1.2659 1.3552 1.3552 1.3661 1.3661 1.5215 1.5215 1.5287 1.5287 2.2690 2.2690 2.2864 2.2864 2.8727 2.8727 2.8780 2.8780 3.4743 3.4743 3.4761 3.4761 5.7615 5.7615 5.7728 5.7728 6.0045 6.0045 6.1161 6.1161 6.4400 6.4400 6.6070 6.6070 6.8734 6.8734 6.8916 6.8916 8.2279 8.2279 8.2535 8.2535 13.9937 13.9937 13.9947 13.9947 17.2262 17.2262 17.2552 17.2552 k = 0.0000 0.5000 0.4978 ( 4288 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3783 -45.3783 -45.3773 -45.3773 -40.9765 -40.9765 -40.9741 -40.9741 -40.8442 -40.8442 -40.8439 -40.8439 -15.8463 -15.8463 -15.8408 -15.8408 -15.7381 -15.7381 -15.7331 -15.7331 1.2526 1.2526 1.2625 1.2625 1.3404 1.3404 1.3538 1.3538 1.5367 1.5367 1.5478 1.5478 2.2781 2.2781 2.2961 2.2961 2.8745 2.8745 2.8804 2.8804 3.4714 3.4714 3.4744 3.4744 5.7494 5.7494 5.7595 5.7595 5.9939 5.9939 6.1099 6.1099 6.4446 6.4446 6.6101 6.6101 6.8511 6.8511 6.8635 6.8635 8.2385 8.2385 8.2659 8.2659 14.0878 14.0878 14.0893 14.0893 17.1532 17.1532 17.1785 17.1785 k = 0.0000 0.5000 0.5134 ( 4296 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3785 -45.3785 -45.3775 -45.3775 -40.9770 -40.9770 -40.9746 -40.9746 -40.8441 -40.8441 -40.8438 -40.8438 -15.8412 -15.8412 -15.8356 -15.8356 -15.7409 -15.7409 -15.7359 -15.7359 1.2447 1.2447 1.2508 1.2508 1.3343 1.3343 1.3492 1.3492 1.5536 1.5536 1.5685 1.5685 2.2869 2.2869 2.3055 2.3055 2.8747 2.8747 2.8812 2.8812 3.4694 3.4694 3.4736 3.4736 5.7373 5.7373 5.7463 5.7463 5.9830 5.9830 6.1034 6.1034 6.4487 6.4487 6.6123 6.6123 6.8311 6.8311 6.8373 6.8373 8.2487 8.2487 8.2777 8.2777 14.1831 14.1831 14.1851 14.1851 17.0732 17.0732 17.0948 17.0948 k = 0.0000 0.5000 0.5289 ( 4294 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3787 -45.3787 -45.3776 -45.3776 -40.9774 -40.9774 -40.9750 -40.9750 -40.8441 -40.8441 -40.8437 -40.8437 -15.8362 -15.8362 -15.8304 -15.8304 -15.7436 -15.7436 -15.7386 -15.7386 1.2288 1.2288 1.2330 1.2330 1.3366 1.3366 1.3511 1.3511 1.5710 1.5710 1.5895 1.5895 2.2955 2.2955 2.3145 2.3145 2.8736 2.8736 2.8805 2.8805 3.4684 3.4684 3.4737 3.4737 5.7255 5.7255 5.7335 5.7335 5.9719 5.9719 6.0967 6.0967 6.4525 6.4525 6.6136 6.6136 6.8133 6.8133 6.8137 6.8137 8.2585 8.2585 8.2890 8.2890 14.2797 14.2797 14.2821 14.2821 16.9873 16.9873 17.0052 17.0052 k = 0.0000 0.5000 0.5445 ( 4292 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3788 -45.3788 -45.3777 -45.3777 -40.9779 -40.9779 -40.9754 -40.9754 -40.8440 -40.8440 -40.8436 -40.8436 -15.8314 -15.8314 -15.8254 -15.8254 -15.7464 -15.7464 -15.7413 -15.7413 1.2089 1.2089 1.2125 1.2125 1.3435 1.3435 1.3566 1.3566 1.5883 1.5883 1.6102 1.6102 2.3039 2.3039 2.3234 2.3234 2.8711 2.8711 2.8785 2.8785 3.4682 3.4682 3.4746 3.4746 5.7141 5.7141 5.7210 5.7210 5.9609 5.9609 6.0899 6.0899 6.4556 6.4556 6.6137 6.6137 6.7915 6.7915 6.7989 6.7989 8.2679 8.2679 8.2996 8.2996 14.3775 14.3775 14.3804 14.3804 16.8963 16.8963 16.9107 16.9107 k = 0.0000 0.5000 0.5601 ( 4296 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3789 -45.3789 -45.3778 -45.3778 -40.9783 -40.9783 -40.9758 -40.9758 -40.8439 -40.8439 -40.8435 -40.8435 -15.8267 -15.8267 -15.8206 -15.8206 -15.7491 -15.7491 -15.7441 -15.7441 1.1880 1.1880 1.1914 1.1914 1.3524 1.3524 1.3637 1.3637 1.6049 1.6049 1.6301 1.6301 2.3121 2.3121 2.3320 2.3320 2.8673 2.8673 2.8753 2.8753 3.4687 3.4687 3.4762 3.4762 5.7031 5.7031 5.7090 5.7090 5.9501 5.9501 6.0831 6.0831 6.4581 6.4581 6.6126 6.6126 6.7720 6.7720 6.7866 6.7866 8.2767 8.2767 8.3097 8.3097 14.4764 14.4764 14.4797 14.4797 16.8011 16.8011 16.8123 16.8123 k = 0.0000 0.5000 0.5756 ( 4300 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3790 -45.3790 -45.3780 -45.3780 -40.9787 -40.9787 -40.9762 -40.9762 -40.8438 -40.8438 -40.8434 -40.8434 -15.8221 -15.8221 -15.8159 -15.8159 -15.7518 -15.7518 -15.7468 -15.7468 1.1676 1.1676 1.1710 1.1710 1.3620 1.3620 1.3715 1.3715 1.6206 1.6206 1.6489 1.6489 2.3202 2.3202 2.3403 2.3403 2.8625 2.8625 2.8710 2.8710 3.4698 3.4698 3.4784 3.4784 5.6926 5.6926 5.6975 5.6975 5.9395 5.9395 6.0766 6.0766 6.4599 6.4599 6.6104 6.6104 6.7547 6.7547 6.7769 6.7769 8.2849 8.2849 8.3189 8.3189 14.5765 14.5765 14.5800 14.5800 16.7025 16.7025 16.7107 16.7107 k = 0.0000 0.5000 0.5912 ( 4300 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3792 -45.3792 -45.3781 -45.3781 -40.9791 -40.9791 -40.9765 -40.9765 -40.8438 -40.8438 -40.8434 -40.8434 -15.8177 -15.8177 -15.8113 -15.8113 -15.7546 -15.7546 -15.7496 -15.7496 1.1483 1.1483 1.1518 1.1518 1.3716 1.3716 1.3793 1.3793 1.6352 1.6352 1.6664 1.6664 2.3281 2.3281 2.3485 2.3485 2.8569 2.8569 2.8659 2.8659 3.4715 3.4715 3.4810 3.4810 5.6828 5.6828 5.6868 5.6868 5.9295 5.9295 6.0703 6.0703 6.4609 6.4609 6.6072 6.6072 6.7398 6.7398 6.7694 6.7694 8.2925 8.2925 8.3275 8.3275 14.6775 14.6775 14.6814 14.6814 16.6011 16.6011 16.6066 16.6066 k = 0.0000 0.5000 0.6067 ( 4292 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3781 -45.3781 -40.9794 -40.9794 -40.9768 -40.9768 -40.8437 -40.8437 -40.8433 -40.8433 -15.8135 -15.8135 -15.8068 -15.8068 -15.7572 -15.7572 -15.7524 -15.7524 1.1306 1.1306 1.1341 1.1341 1.3809 1.3809 1.3870 1.3870 1.6484 1.6484 1.6824 1.6824 2.3357 2.3357 2.3565 2.3565 2.8506 2.8506 2.8602 2.8602 3.4735 3.4735 3.4839 3.4839 5.6738 5.6738 5.6769 5.6769 5.9201 5.9201 6.0644 6.0644 6.4614 6.4614 6.6034 6.6034 6.7271 6.7271 6.7640 6.7640 8.2994 8.2994 8.3353 8.3353 14.7795 14.7795 14.7836 14.7836 16.4976 16.4976 16.5007 16.5007 k = 0.0000 0.5000 0.6223 ( 4288 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3793 -45.3793 -45.3782 -45.3782 -40.9797 -40.9797 -40.9771 -40.9771 -40.8437 -40.8437 -40.8432 -40.8432 -15.8094 -15.8094 -15.8026 -15.8026 -15.7599 -15.7599 -15.7552 -15.7552 1.1147 1.1147 1.1183 1.1183 1.3896 1.3896 1.3942 1.3942 1.6602 1.6602 1.6967 1.6967 2.3430 2.3430 2.3641 2.3641 2.8441 2.8441 2.8542 2.8542 3.4757 3.4757 3.4869 3.4869 5.6656 5.6656 5.6680 5.6680 5.9116 5.9116 6.0591 6.0591 6.4612 6.4612 6.5992 6.5992 6.7165 6.7165 6.7602 6.7602 8.3056 8.3056 8.3422 8.3422 14.8825 14.8825 14.8867 14.8867 16.3925 16.3925 16.3935 16.3935 k = 0.0000 0.5000 0.6378 ( 4288 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3794 -45.3794 -45.3783 -45.3783 -40.9800 -40.9800 -40.9774 -40.9774 -40.8436 -40.8436 -40.8432 -40.8432 -15.8056 -15.8056 -15.7984 -15.7984 -15.7626 -15.7626 -15.7580 -15.7580 1.1007 1.1007 1.1043 1.1043 1.3975 1.3975 1.4008 1.4008 1.6704 1.6704 1.7092 1.7092 2.3499 2.3499 2.3712 2.3712 2.8375 2.8375 2.8482 2.8482 3.4779 3.4779 3.4898 3.4898 5.6583 5.6583 5.6600 5.6600 5.9038 5.9038 6.0542 6.0542 6.4605 6.4605 6.5949 6.5949 6.7078 6.7078 6.7577 6.7577 8.3111 8.3111 8.3483 8.3483 14.9863 14.9863 14.9905 14.9905 16.2853 16.2853 16.2863 16.2863 k = 0.0000 0.5000 0.6534 ( 4282 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3783 -45.3783 -40.9802 -40.9802 -40.9776 -40.9776 -40.8436 -40.8436 -40.8431 -40.8431 -15.8019 -15.8019 -15.7945 -15.7945 -15.7652 -15.7652 -15.7609 -15.7609 1.0887 1.0887 1.0924 1.0924 1.4045 1.4045 1.4066 1.4066 1.6791 1.6791 1.7198 1.7198 2.3561 2.3561 2.3777 2.3777 2.8312 2.8312 2.8425 2.8425 3.4801 3.4801 3.4926 3.4926 5.6520 5.6520 5.6532 5.6532 5.8972 5.8972 6.0500 6.0500 6.4596 6.4596 6.5908 6.5908 6.7009 6.7009 6.7561 6.7561 8.3157 8.3157 8.3535 8.3535 15.0909 15.0909 15.0950 15.0950 16.1766 16.1766 16.1793 16.1793 k = 0.0000 0.5000 0.6690 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3795 -45.3795 -45.3784 -45.3784 -40.9804 -40.9804 -40.9777 -40.9777 -40.8435 -40.8435 -40.8431 -40.8431 -15.7985 -15.7985 -15.7906 -15.7906 -15.7678 -15.7678 -15.7638 -15.7638 1.0787 1.0787 1.0825 1.0825 1.4103 1.4103 1.4115 1.4115 1.6861 1.6861 1.7285 1.7285 2.3616 2.3616 2.3834 2.3834 2.8255 2.8255 2.8372 2.8372 3.4820 3.4820 3.4950 3.4950 5.6467 5.6467 5.6474 5.6474 5.8915 5.8915 6.0463 6.0463 6.4585 6.4585 6.5871 6.5871 6.6956 6.6956 6.7551 6.7551 8.3195 8.3195 8.3577 8.3577 15.1961 15.1961 15.2000 15.2000 16.0676 16.0676 16.0719 16.0719 k = 0.0000 0.5000 0.6845 ( 4288 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3784 -45.3784 -40.9805 -40.9805 -40.9779 -40.9779 -40.8435 -40.8435 -40.8431 -40.8431 -15.7954 -15.7954 -15.7870 -15.7870 -15.7702 -15.7702 -15.7668 -15.7668 1.0710 1.0710 1.0748 1.0748 1.4151 1.4151 1.4155 1.4155 1.6916 1.6916 1.7354 1.7354 2.3661 2.3661 2.3881 2.3881 2.8206 2.8206 2.8329 2.8329 3.4837 3.4837 3.4970 3.4970 5.6426 5.6426 5.6428 5.6428 5.8870 5.8870 6.0435 6.0435 6.4575 6.4575 6.5841 6.5841 6.6917 6.6917 6.7545 6.7545 8.3225 8.3225 8.3610 8.3610 15.3019 15.3019 15.3051 15.3051 15.9588 15.9588 15.9648 15.9648 k = 0.0000 0.5000 0.7001 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9806 -40.9806 -40.9779 -40.9779 -40.8435 -40.8435 -40.8431 -40.8431 -15.7928 -15.7928 -15.7835 -15.7835 -15.7724 -15.7724 -15.7697 -15.7697 1.0654 1.0654 1.0692 1.0692 1.4184 1.4184 1.4185 1.4185 1.6955 1.6955 1.7402 1.7402 2.3694 2.3694 2.3916 2.3916 2.8170 2.8170 2.8296 2.8296 3.4849 3.4849 3.4985 3.4985 5.6396 5.6396 5.6396 5.6396 5.8838 5.8838 6.0415 6.0415 6.4567 6.4567 6.5819 6.5819 6.6890 6.6890 6.7542 6.7542 8.3247 8.3247 8.3634 8.3634 15.4076 15.4076 15.4094 15.4094 15.8508 15.8508 15.8589 15.8589 k = 0.0000 0.5000 0.7156 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3796 -45.3796 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7909 -15.7909 -15.7802 -15.7802 -15.7739 -15.7739 -15.7727 -15.7727 1.0621 1.0621 1.0659 1.0659 1.4201 1.4201 1.4206 1.4206 1.6978 1.6978 1.7431 1.7431 2.3715 2.3715 2.3938 2.3938 2.8147 2.8147 2.8275 2.8275 3.4857 3.4857 3.4994 3.4994 5.6376 5.6376 5.6378 5.6378 5.8819 5.8819 6.0402 6.0402 6.4561 6.4561 6.5805 6.5805 6.6874 6.6874 6.7541 6.7541 8.3260 8.3260 8.3649 8.3649 15.5095 15.5095 15.5113 15.5113 15.7458 15.7458 15.7579 15.7579 k = 0.0000 0.5000 0.7312 ( 4300 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3797 -45.3797 -45.3785 -45.3785 -40.9807 -40.9807 -40.9780 -40.9780 -40.8435 -40.8435 -40.8431 -40.8431 -15.7902 -15.7902 -15.7783 -15.7783 -15.7746 -15.7746 -15.7746 -15.7746 1.0610 1.0610 1.0648 1.0648 1.4206 1.4206 1.4212 1.4212 1.6985 1.6985 1.7440 1.7440 2.3721 2.3721 2.3945 2.3945 2.8139 2.8139 2.8268 2.8268 3.4858 3.4858 3.4997 3.4997 5.6369 5.6369 5.6371 5.6371 5.8811 5.8811 6.0398 6.0398 6.4558 6.4558 6.5800 6.5800 6.6868 6.6868 6.7540 6.7540 8.3263 8.3263 8.3653 8.3653 15.5726 15.5726 15.5842 15.5842 15.6724 15.6724 15.6944 15.6944 k = 0.5000 0.5000-0.0000 ( 4288 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9719 -15.9719 -15.9719 -15.9719 -15.6712 -15.6712 -15.6712 -15.6712 0.3431 0.3431 0.3431 0.3431 1.2705 1.2705 1.2705 1.2705 2.4667 2.4667 2.4667 2.4667 2.7277 2.7277 2.7277 2.7277 3.0276 3.0276 3.0276 3.0276 3.2400 3.2400 3.2400 3.2400 5.5642 5.5642 5.5642 5.5642 5.8590 5.8590 5.8590 5.8590 6.5211 6.5211 6.5211 6.5211 7.3982 7.3982 7.3982 7.3982 8.2180 8.2180 8.2180 8.2180 13.7175 13.7175 13.7175 13.7175 14.3941 14.3941 14.3941 14.3941 k = 0.5000 0.5000 0.0156 ( 4288 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9617 -40.9617 -40.9617 -40.9617 -40.8466 -40.8466 -40.8466 -40.8466 -15.9717 -15.9717 -15.9717 -15.9717 -15.6713 -15.6713 -15.6713 -15.6713 0.3437 0.3437 0.3437 0.3437 1.2701 1.2701 1.2701 1.2701 2.4679 2.4679 2.4679 2.4679 2.7259 2.7259 2.7259 2.7259 3.0280 3.0280 3.0280 3.0280 3.2390 3.2390 3.2390 3.2390 5.5648 5.5648 5.5648 5.5648 5.8596 5.8596 5.8596 5.8596 6.5207 6.5207 6.5207 6.5207 7.3988 7.3988 7.3988 7.3988 8.2167 8.2167 8.2167 8.2167 13.7189 13.7189 13.7189 13.7189 14.3960 14.3960 14.3960 14.3960 k = 0.5000 0.5000 0.0311 ( 4296 PWs) bands (ev): -76.5521 -76.5521 -76.5521 -76.5521 -45.3738 -45.3738 -45.3738 -45.3738 -40.9618 -40.9618 -40.9618 -40.9618 -40.8466 -40.8466 -40.8466 -40.8466 -15.9712 -15.9712 -15.9712 -15.9712 -15.6715 -15.6715 -15.6715 -15.6715 0.3457 0.3457 0.3457 0.3457 1.2692 1.2692 1.2692 1.2692 2.4715 2.4715 2.4715 2.4715 2.7206 2.7206 2.7206 2.7206 3.0291 3.0291 3.0291 3.0291 3.2359 3.2359 3.2359 3.2359 5.5669 5.5669 5.5669 5.5669 5.8615 5.8615 5.8615 5.8615 6.5193 6.5193 6.5193 6.5193 7.4004 7.4004 7.4004 7.4004 8.2126 8.2126 8.2126 8.2126 13.7231 13.7231 13.7231 13.7231 14.4016 14.4016 14.4016 14.4016 k = 0.5000 0.5000 0.0467 ( 4288 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3738 -45.3738 -45.3738 -45.3738 -40.9619 -40.9619 -40.9619 -40.9619 -40.8466 -40.8466 -40.8466 -40.8466 -15.9704 -15.9704 -15.9704 -15.9704 -15.6719 -15.6719 -15.6719 -15.6719 0.3489 0.3489 0.3489 0.3489 1.2679 1.2679 1.2679 1.2679 2.4776 2.4776 2.4776 2.4776 2.7118 2.7118 2.7118 2.7118 3.0309 3.0309 3.0309 3.0309 3.2308 3.2308 3.2308 3.2308 5.5703 5.5703 5.5703 5.5703 5.8647 5.8647 5.8647 5.8647 6.5172 6.5172 6.5172 6.5172 7.4030 7.4030 7.4030 7.4030 8.2061 8.2061 8.2061 8.2061 13.7301 13.7301 13.7301 13.7301 14.4108 14.4108 14.4108 14.4108 k = 0.5000 0.5000 0.0622 ( 4296 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3739 -45.3739 -45.3739 -45.3739 -40.9620 -40.9620 -40.9620 -40.9620 -40.8465 -40.8465 -40.8465 -40.8465 -15.9692 -15.9692 -15.9692 -15.9692 -15.6724 -15.6724 -15.6724 -15.6724 0.3535 0.3535 0.3535 0.3535 1.2661 1.2661 1.2661 1.2661 2.4859 2.4859 2.4859 2.4859 2.6997 2.6997 2.6997 2.6997 3.0334 3.0334 3.0334 3.0334 3.2237 3.2237 3.2237 3.2237 5.5750 5.5750 5.5750 5.5750 5.8690 5.8690 5.8690 5.8690 6.5141 6.5141 6.5141 6.5141 7.4066 7.4066 7.4066 7.4066 8.1968 8.1968 8.1968 8.1968 13.7399 13.7399 13.7399 13.7399 14.4237 14.4237 14.4237 14.4237 k = 0.5000 0.5000 0.0778 ( 4300 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3739 -45.3739 -45.3739 -45.3739 -40.9622 -40.9622 -40.9622 -40.9622 -40.8465 -40.8465 -40.8465 -40.8465 -15.9677 -15.9677 -15.9677 -15.9677 -15.6730 -15.6730 -15.6730 -15.6730 0.3592 0.3592 0.3592 0.3592 1.2640 1.2640 1.2640 1.2640 2.4965 2.4965 2.4965 2.4965 2.6843 2.6843 2.6843 2.6843 3.0365 3.0365 3.0365 3.0365 3.2146 3.2146 3.2146 3.2146 5.5809 5.5809 5.5809 5.5809 5.8746 5.8746 5.8746 5.8746 6.5102 6.5102 6.5102 6.5102 7.4111 7.4111 7.4111 7.4111 8.1851 8.1851 8.1851 8.1851 13.7524 13.7524 13.7524 13.7524 14.4402 14.4402 14.4402 14.4402 k = 0.5000 0.5000 0.0933 ( 4296 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3740 -45.3740 -45.3740 -45.3740 -40.9624 -40.9624 -40.9624 -40.9624 -40.8465 -40.8465 -40.8465 -40.8465 -15.9659 -15.9659 -15.9659 -15.9659 -15.6738 -15.6738 -15.6738 -15.6738 0.3662 0.3662 0.3662 0.3662 1.2615 1.2615 1.2615 1.2615 2.5091 2.5091 2.5091 2.5091 2.6660 2.6660 2.6660 2.6660 3.0403 3.0403 3.0403 3.0403 3.2036 3.2036 3.2036 3.2036 5.5880 5.5880 5.5880 5.5880 5.8813 5.8813 5.8813 5.8813 6.5055 6.5055 6.5055 6.5055 7.4166 7.4166 7.4166 7.4166 8.1709 8.1709 8.1709 8.1709 13.7678 13.7678 13.7678 13.7678 14.4601 14.4601 14.4601 14.4601 k = 0.5000 0.5000 0.1089 ( 4296 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3740 -45.3740 -45.3740 -45.3740 -40.9627 -40.9627 -40.9627 -40.9627 -40.8464 -40.8464 -40.8464 -40.8464 -15.9638 -15.9638 -15.9638 -15.9638 -15.6747 -15.6747 -15.6747 -15.6747 0.3745 0.3745 0.3745 0.3745 1.2588 1.2588 1.2588 1.2588 2.5236 2.5236 2.5236 2.5236 2.6448 2.6448 2.6448 2.6448 3.0448 3.0448 3.0448 3.0448 3.1908 3.1908 3.1908 3.1908 5.5961 5.5961 5.5961 5.5961 5.8890 5.8890 5.8890 5.8890 6.5000 6.5000 6.5000 6.5000 7.4229 7.4229 7.4229 7.4229 8.1545 8.1545 8.1545 8.1545 13.7859 13.7859 13.7859 13.7859 14.4835 14.4835 14.4835 14.4835 k = 0.5000 0.5000 0.1245 ( 4296 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3741 -45.3741 -45.3741 -45.3741 -40.9629 -40.9629 -40.9629 -40.9629 -40.8464 -40.8464 -40.8464 -40.8464 -15.9614 -15.9614 -15.9614 -15.9614 -15.6758 -15.6758 -15.6758 -15.6758 0.3839 0.3839 0.3839 0.3839 1.2560 1.2560 1.2560 1.2560 2.5394 2.5394 2.5394 2.5394 2.6214 2.6214 2.6214 2.6214 3.0499 3.0499 3.0499 3.0499 3.1763 3.1763 3.1763 3.1763 5.6052 5.6052 5.6052 5.6052 5.8976 5.8976 5.8976 5.8976 6.4938 6.4938 6.4938 6.4938 7.4300 7.4300 7.4300 7.4300 8.1358 8.1358 8.1358 8.1358 13.8067 13.8067 13.8067 13.8067 14.5102 14.5102 14.5102 14.5102 k = 0.5000 0.5000 0.1400 ( 4304 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3742 -45.3742 -45.3742 -45.3742 -40.9633 -40.9633 -40.9633 -40.9633 -40.8463 -40.8463 -40.8463 -40.8463 -15.9587 -15.9587 -15.9587 -15.9587 -15.6770 -15.6770 -15.6770 -15.6770 0.3945 0.3945 0.3945 0.3945 1.2531 1.2531 1.2531 1.2531 2.5545 2.5545 2.5545 2.5545 2.5979 2.5979 2.5979 2.5979 3.0555 3.0555 3.0555 3.0555 3.1601 3.1601 3.1601 3.1601 5.6150 5.6150 5.6150 5.6150 5.9072 5.9072 5.9072 5.9072 6.4868 6.4868 6.4868 6.4868 7.4378 7.4378 7.4378 7.4378 8.1151 8.1151 8.1151 8.1151 13.8303 13.8303 13.8303 13.8303 14.5401 14.5401 14.5401 14.5401 k = 0.5000 0.5000 0.1556 ( 4288 PWs) bands (ev): -76.5520 -76.5520 -76.5520 -76.5520 -45.3743 -45.3743 -45.3743 -45.3743 -40.9636 -40.9636 -40.9636 -40.9636 -40.8462 -40.8462 -40.8462 -40.8462 -15.9557 -15.9557 -15.9557 -15.9557 -15.6783 -15.6783 -15.6783 -15.6783 0.4062 0.4062 0.4062 0.4062 1.2502 1.2502 1.2502 1.2502 2.5534 2.5534 2.5534 2.5534 2.5899 2.5899 2.5899 2.5899 3.0618 3.0618 3.0618 3.0618 3.1425 3.1425 3.1425 3.1425 5.6258 5.6258 5.6258 5.6258 5.9176 5.9176 5.9176 5.9176 6.4792 6.4792 6.4792 6.4792 7.4462 7.4462 7.4462 7.4462 8.0925 8.0925 8.0925 8.0925 13.8565 13.8565 13.8565 13.8565 14.5731 14.5731 14.5731 14.5731 k = 0.5000 0.5000 0.1711 ( 4288 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3744 -45.3744 -45.3744 -45.3744 -40.9640 -40.9640 -40.9640 -40.9640 -40.8462 -40.8462 -40.8462 -40.8462 -15.9525 -15.9525 -15.9525 -15.9525 -15.6797 -15.6797 -15.6797 -15.6797 0.4189 0.4189 0.4189 0.4189 1.2475 1.2475 1.2475 1.2475 2.5273 2.5273 2.5273 2.5273 2.6060 2.6060 2.6060 2.6060 3.0684 3.0684 3.0684 3.0684 3.1237 3.1237 3.1237 3.1237 5.6370 5.6370 5.6370 5.6370 5.9287 5.9287 5.9287 5.9287 6.4708 6.4708 6.4708 6.4708 7.4551 7.4551 7.4551 7.4551 8.0682 8.0682 8.0682 8.0682 13.8855 13.8855 13.8855 13.8855 14.6090 14.6090 14.6090 14.6090 k = 0.5000 0.5000 0.1867 ( 4280 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3746 -45.3746 -45.3746 -45.3746 -40.9644 -40.9644 -40.9644 -40.9644 -40.8461 -40.8461 -40.8461 -40.8461 -15.9490 -15.9490 -15.9490 -15.9490 -15.6812 -15.6812 -15.6812 -15.6812 0.4327 0.4327 0.4327 0.4327 1.2451 1.2451 1.2451 1.2451 2.4954 2.4954 2.4954 2.4954 2.6274 2.6274 2.6274 2.6274 3.0746 3.0746 3.0746 3.0746 3.1044 3.1044 3.1044 3.1044 5.6487 5.6487 5.6487 5.6487 5.9404 5.9404 5.9404 5.9404 6.4619 6.4619 6.4619 6.4619 7.4645 7.4645 7.4645 7.4645 8.0425 8.0425 8.0425 8.0425 13.9171 13.9171 13.9171 13.9171 14.6477 14.6477 14.6477 14.6477 k = 0.5000 0.5000 0.2022 ( 4280 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3747 -45.3747 -45.3747 -45.3747 -40.9648 -40.9648 -40.9648 -40.9648 -40.8460 -40.8460 -40.8460 -40.8460 -15.9452 -15.9452 -15.9452 -15.9452 -15.6828 -15.6828 -15.6828 -15.6828 0.4475 0.4475 0.4475 0.4475 1.2429 1.2429 1.2429 1.2429 2.4609 2.4609 2.4609 2.4609 2.6506 2.6506 2.6506 2.6506 3.0736 3.0736 3.0736 3.0736 3.0918 3.0918 3.0918 3.0918 5.6607 5.6607 5.6607 5.6607 5.9525 5.9525 5.9525 5.9525 6.4523 6.4523 6.4523 6.4523 7.4741 7.4741 7.4741 7.4741 8.0153 8.0153 8.0153 8.0153 13.9513 13.9513 13.9513 13.9513 14.6892 14.6892 14.6892 14.6892 k = 0.5000 0.5000 0.2178 ( 4272 PWs) bands (ev): -76.5519 -76.5519 -76.5519 -76.5519 -45.3748 -45.3748 -45.3748 -45.3748 -40.9653 -40.9653 -40.9653 -40.9653 -40.8459 -40.8459 -40.8459 -40.8459 -15.9413 -15.9413 -15.9413 -15.9413 -15.6845 -15.6845 -15.6845 -15.6845 0.4631 0.4631 0.4631 0.4631 1.2413 1.2413 1.2413 1.2413 2.4248 2.4248 2.4248 2.4248 2.6746 2.6746 2.6746 2.6746 3.0553 3.0553 3.0553 3.0553 3.0961 3.0961 3.0961 3.0961 5.6731 5.6731 5.6731 5.6731 5.9651 5.9651 5.9651 5.9651 6.4423 6.4423 6.4423 6.4423 7.4838 7.4838 7.4838 7.4838 7.9870 7.9870 7.9870 7.9870 13.9880 13.9880 13.9880 13.9880 14.7332 14.7332 14.7332 14.7332 k = 0.5000 0.5000 0.2334 ( 4272 PWs) bands (ev): -76.5518 -76.5518 -76.5518 -76.5518 -45.3750 -45.3750 -45.3750 -45.3750 -40.9658 -40.9658 -40.9658 -40.9658 -40.8458 -40.8458 -40.8458 -40.8458 -15.9371 -15.9371 -15.9371 -15.9371 -15.6863 -15.6863 -15.6863 -15.6863 0.4796 0.4796 0.4796 0.4796 1.2400 1.2400 1.2400 1.2400 2.3873 2.3873 2.3873 2.3873 2.6991 2.6991 2.6991 2.6991 3.0329 3.0329 3.0329 3.0329 3.1045 3.1045 3.1045 3.1045 5.6855 5.6855 5.6855 5.6855 5.9780 5.9780 5.9780 5.9780 6.4318 6.4318 6.4318 6.4318 7.4935 7.4935 7.4935 7.4935 7.9578 7.9578 7.9578 7.9578 14.0273 14.0273 14.0273 14.0273 14.7796 14.7796 14.7796 14.7796 k = 0.5000 0.5000 0.2489 ( 4272 PWs) bands (ev): -76.5518 -76.5518 -76.5518 -76.5518 -45.3751 -45.3751 -45.3751 -45.3751 -40.9663 -40.9663 -40.9663 -40.9663 -40.8457 -40.8457 -40.8457 -40.8457 -15.9328 -15.9328 -15.9328 -15.9328 -15.6882 -15.6882 -15.6882 -15.6882 0.4969 0.4969 0.4969 0.4969 1.2394 1.2394 1.2394 1.2394 2.3488 2.3488 2.3488 2.3488 2.7235 2.7235 2.7235 2.7235 3.0098 3.0098 3.0098 3.0098 3.1138 3.1138 3.1138 3.1138 5.6981 5.6981 5.6981 5.6981 5.9910 5.9910 5.9910 5.9910 6.4209 6.4209 6.4209 6.4209 7.5032 7.5032 7.5032 7.5032 7.9278 7.9278 7.9278 7.9278 14.0691 14.0691 14.0691 14.0691 14.8283 14.8283 14.8283 14.8283 k = 0.5000 0.5000 0.2645 ( 4280 PWs) bands (ev): -76.5518 -76.5518 -76.5518 -76.5518 -45.3753 -45.3753 -45.3753 -45.3753 -40.9668 -40.9668 -40.9668 -40.9668 -40.8456 -40.8456 -40.8456 -40.8456 -15.9283 -15.9283 -15.9283 -15.9283 -15.6902 -15.6902 -15.6902 -15.6902 0.5148 0.5148 0.5148 0.5148 1.2393 1.2393 1.2393 1.2393 2.3096 2.3096 2.3096 2.3096 2.7468 2.7468 2.7468 2.7468 2.9872 2.9872 2.9872 2.9872 3.1236 3.1236 3.1236 3.1236 5.7105 5.7105 5.7105 5.7105 6.0040 6.0040 6.0040 6.0040 6.4097 6.4097 6.4097 6.4097 7.5125 7.5125 7.5125 7.5125 7.8974 7.8974 7.8974 7.8974 14.1132 14.1132 14.1132 14.1132 14.8792 14.8792 14.8792 14.8792 k = 0.5000 0.5000 0.2800 ( 4276 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3755 -45.3755 -45.3755 -45.3755 -40.9674 -40.9674 -40.9674 -40.9674 -40.8455 -40.8455 -40.8455 -40.8455 -15.9236 -15.9236 -15.9236 -15.9236 -15.6922 -15.6922 -15.6922 -15.6922 0.5334 0.5334 0.5334 0.5334 1.2399 1.2399 1.2399 1.2399 2.2698 2.2698 2.2698 2.2698 2.7677 2.7677 2.7677 2.7677 2.9665 2.9665 2.9665 2.9665 3.1340 3.1340 3.1340 3.1340 5.7229 5.7229 5.7229 5.7229 6.0170 6.0170 6.0170 6.0170 6.3984 6.3984 6.3984 6.3984 7.5213 7.5213 7.5213 7.5213 7.8669 7.8669 7.8669 7.8669 14.1597 14.1597 14.1597 14.1597 14.9321 14.9321 14.9321 14.9321 k = 0.5000 0.5000 0.2956 ( 4276 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3756 -45.3756 -45.3756 -45.3756 -40.9679 -40.9679 -40.9679 -40.9679 -40.8454 -40.8454 -40.8454 -40.8454 -15.9189 -15.9189 -15.9189 -15.9189 -15.6942 -15.6942 -15.6942 -15.6942 0.5526 0.5526 0.5526 0.5526 1.2413 1.2413 1.2413 1.2413 2.2297 2.2297 2.2297 2.2297 2.7834 2.7834 2.7834 2.7834 2.9505 2.9505 2.9505 2.9505 3.1448 3.1448 3.1448 3.1448 5.7351 5.7351 5.7351 5.7351 6.0298 6.0298 6.0298 6.0298 6.3871 6.3871 6.3871 6.3871 7.5294 7.5294 7.5294 7.5294 7.8365 7.8365 7.8365 7.8365 14.2085 14.2085 14.2085 14.2085 14.9869 14.9869 14.9869 14.9869 k = 0.5000 0.5000 0.3111 ( 4292 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3758 -45.3758 -45.3758 -45.3758 -40.9685 -40.9685 -40.9685 -40.9685 -40.8453 -40.8453 -40.8453 -40.8453 -15.9140 -15.9140 -15.9140 -15.9140 -15.6964 -15.6964 -15.6964 -15.6964 0.5721 0.5721 0.5721 0.5721 1.2434 1.2434 1.2434 1.2434 2.1894 2.1894 2.1894 2.1894 2.7901 2.7901 2.7901 2.7901 2.9429 2.9429 2.9429 2.9429 3.1559 3.1559 3.1559 3.1559 5.7470 5.7470 5.7470 5.7470 6.0421 6.0421 6.0421 6.0421 6.3758 6.3758 6.3758 6.3758 7.5363 7.5363 7.5363 7.5363 7.8067 7.8067 7.8067 7.8067 14.2594 14.2594 14.2594 14.2594 15.0435 15.0435 15.0435 15.0435 k = 0.5000 0.5000 0.3267 ( 4292 PWs) bands (ev): -76.5517 -76.5517 -76.5517 -76.5517 -45.3760 -45.3760 -45.3760 -45.3760 -40.9691 -40.9691 -40.9691 -40.9691 -40.8452 -40.8452 -40.8452 -40.8452 -15.9090 -15.9090 -15.9090 -15.9090 -15.6985 -15.6985 -15.6985 -15.6985 0.5920 0.5920 0.5920 0.5920 1.2465 1.2465 1.2465 1.2465 2.1493 2.1493 2.1493 2.1493 2.7847 2.7847 2.7847 2.7847 2.9468 2.9468 2.9468 2.9468 3.1673 3.1673 3.1673 3.1673 5.7586 5.7586 5.7586 5.7586 6.0541 6.0541 6.0541 6.0541 6.3648 6.3648 6.3648 6.3648 7.5417 7.5417 7.5417 7.5417 7.7780 7.7780 7.7780 7.7780 14.3124 14.3124 14.3124 14.3124 15.1019 15.1019 15.1019 15.1019 k = 0.5000 0.5000 0.3423 ( 4268 PWs) bands (ev): -76.5516 -76.5516 -76.5516 -76.5516 -45.3761 -45.3761 -45.3761 -45.3761 -40.9697 -40.9697 -40.9697 -40.9697 -40.8451 -40.8451 -40.8451 -40.8451 -15.9040 -15.9040 -15.9040 -15.9040 -15.7006 -15.7006 -15.7006 -15.7006 0.6124 0.6124 0.6124 0.6124 1.2504 1.2504 1.2504 1.2504 2.1094 2.1094 2.1094 2.1094 2.7687 2.7687 2.7687 2.7687 2.9608 2.9608 2.9608 2.9608 3.1790 3.1790 3.1790 3.1790 5.7700 5.7700 5.7700 5.7700 6.0654 6.0654 6.0654 6.0654 6.3543 6.3543 6.3543 6.3543 7.5450 7.5450 7.5450 7.5450 7.7514 7.7514 7.7514 7.7514 14.3675 14.3675 14.3675 14.3675 15.1619 15.1619 15.1619 15.1619 k = 0.5000 0.5000 0.3578 ( 4268 PWs) bands (ev): -76.5516 -76.5516 -76.5516 -76.5516 -45.3763 -45.3763 -45.3763 -45.3763 -40.9702 -40.9702 -40.9702 -40.9702 -40.8450 -40.8450 -40.8450 -40.8450 -15.8990 -15.8990 -15.8990 -15.8990 -15.7028 -15.7028 -15.7028 -15.7028 0.6328 0.6328 0.6328 0.6328 1.2551 1.2551 1.2551 1.2551 2.0700 2.0700 2.0700 2.0700 2.7456 2.7456 2.7456 2.7456 2.9812 2.9812 2.9812 2.9812 3.1909 3.1909 3.1909 3.1909 5.7808 5.7808 5.7808 5.7808 6.0757 6.0757 6.0757 6.0757 6.3444 6.3444 6.3444 6.3444 7.5451 7.5451 7.5451 7.5451 7.7276 7.7276 7.7276 7.7276 14.4244 14.4244 14.4244 14.4244 15.2233 15.2233 15.2233 15.2233 k = 0.5000 0.5000 0.3734 ( 4264 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3765 -45.3765 -45.3765 -45.3765 -40.9708 -40.9708 -40.9708 -40.9708 -40.8449 -40.8449 -40.8449 -40.8449 -15.8939 -15.8939 -15.8939 -15.8939 -15.7050 -15.7050 -15.7050 -15.7050 0.6533 0.6533 0.6533 0.6533 1.2607 1.2607 1.2607 1.2607 2.0312 2.0312 2.0312 2.0312 2.7186 2.7186 2.7186 2.7186 3.0049 3.0049 3.0049 3.0049 3.2029 3.2029 3.2029 3.2029 5.7910 5.7910 5.7910 5.7910 6.0848 6.0848 6.0848 6.0848 6.3354 6.3354 6.3354 6.3354 7.5411 7.5411 7.5411 7.5411 7.7078 7.7078 7.7078 7.7078 14.4831 14.4831 14.4831 14.4831 15.2862 15.2862 15.2862 15.2862 k = 0.5000 0.5000 0.3889 ( 4256 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3767 -45.3767 -45.3767 -45.3767 -40.9714 -40.9714 -40.9714 -40.9714 -40.8448 -40.8448 -40.8448 -40.8448 -15.8888 -15.8888 -15.8888 -15.8888 -15.7072 -15.7072 -15.7072 -15.7072 0.6738 0.6738 0.6738 0.6738 1.2673 1.2673 1.2673 1.2673 1.9931 1.9931 1.9931 1.9931 2.6891 2.6891 2.6891 2.6891 3.0303 3.0303 3.0303 3.0303 3.2150 3.2150 3.2150 3.2150 5.8009 5.8009 5.8009 5.8009 6.0925 6.0925 6.0925 6.0925 6.3277 6.3277 6.3277 6.3277 7.5321 7.5321 7.5321 7.5321 7.6930 7.6930 7.6930 7.6930 14.5435 14.5435 14.5435 14.5435 15.3505 15.3505 15.3505 15.3505 k = 0.5000 0.5000 0.4045 ( 4256 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3768 -45.3768 -45.3768 -45.3768 -40.9720 -40.9720 -40.9720 -40.9720 -40.8447 -40.8447 -40.8447 -40.8447 -15.8838 -15.8838 -15.8838 -15.8838 -15.7093 -15.7093 -15.7093 -15.7093 0.6941 0.6941 0.6941 0.6941 1.2746 1.2746 1.2746 1.2746 1.9560 1.9560 1.9560 1.9560 2.6582 2.6582 2.6582 2.6582 3.0565 3.0565 3.0565 3.0565 3.2272 3.2272 3.2272 3.2272 5.8103 5.8103 5.8103 5.8103 6.0984 6.0984 6.0984 6.0984 6.3214 6.3214 6.3214 6.3214 7.5180 7.5180 7.5180 7.5180 7.6834 7.6834 7.6834 7.6834 14.6054 14.6054 14.6054 14.6054 15.4161 15.4161 15.4161 15.4161 k = 0.5000 0.5000 0.4200 ( 4256 PWs) bands (ev): -76.5515 -76.5515 -76.5515 -76.5515 -45.3770 -45.3770 -45.3770 -45.3770 -40.9726 -40.9726 -40.9726 -40.9726 -40.8446 -40.8446 -40.8446 -40.8446 -15.8788 -15.8788 -15.8788 -15.8788 -15.7115 -15.7115 -15.7115 -15.7115 0.7143 0.7143 0.7143 0.7143 1.2828 1.2828 1.2828 1.2828 1.9200 1.9200 1.9200 1.9200 2.6263 2.6263 2.6263 2.6263 3.0828 3.0828 3.0828 3.0828 3.2393 3.2393 3.2393 3.2393 5.8190 5.8190 5.8190 5.8190 6.1024 6.1024 6.1024 6.1024 6.3168 6.3168 6.3168 6.3168 7.4996 7.4996 7.4996 7.4996 7.6782 7.6782 7.6782 7.6782 14.6686 14.6686 14.6686 14.6686 15.4828 15.4828 15.4828 15.4828 k = 0.5000 0.5000 0.4356 ( 4256 PWs) bands (ev): -76.5514 -76.5514 -76.5514 -76.5514 -45.3772 -45.3772 -45.3772 -45.3772 -40.9731 -40.9731 -40.9731 -40.9731 -40.8445 -40.8445 -40.8445 -40.8445 -15.8739 -15.8739 -15.8739 -15.8739 -15.7136 -15.7136 -15.7136 -15.7136 0.7340 0.7340 0.7340 0.7340 1.2919 1.2919 1.2919 1.2919 1.8852 1.8852 1.8852 1.8852 2.5940 2.5940 2.5940 2.5940 3.1090 3.1090 3.1090 3.1090 3.2514 3.2514 3.2514 3.2514 5.8272 5.8272 5.8272 5.8272 6.1043 6.1043 6.1043 6.1043 6.3141 6.3141 6.3141 6.3141 7.4783 7.4783 7.4783 7.4783 7.6763 7.6763 7.6763 7.6763 14.7331 14.7331 14.7331 14.7331 15.5507 15.5507 15.5507 15.5507 k = 0.5000 0.5000 0.4512 ( 4260 PWs) bands (ev): -76.5514 -76.5514 -76.5514 -76.5514 -45.3774 -45.3774 -45.3774 -45.3774 -40.9737 -40.9737 -40.9737 -40.9737 -40.8444 -40.8444 -40.8444 -40.8444 -15.8691 -15.8691 -15.8691 -15.8691 -15.7156 -15.7156 -15.7156 -15.7156 0.7533 0.7533 0.7533 0.7533 1.3018 1.3018 1.3018 1.3018 1.8517 1.8517 1.8517 1.8517 2.5613 2.5613 2.5613 2.5613 3.1347 3.1347 3.1347 3.1347 3.2633 3.2633 3.2633 3.2633 5.8348 5.8348 5.8348 5.8348 6.1042 6.1042 6.1042 6.1042 6.3133 6.3133 6.3133 6.3133 7.4553 7.4553 7.4553 7.4553 7.6764 7.6764 7.6764 7.6764 14.7985 14.7985 14.7985 14.7985 15.6197 15.6197 15.6197 15.6197 k = 0.5000 0.5000 0.4667 ( 4260 PWs) bands (ev): -76.5514 -76.5514 -76.5514 -76.5514 -45.3775 -45.3775 -45.3775 -45.3775 -40.9742 -40.9742 -40.9742 -40.9742 -40.8443 -40.8443 -40.8443 -40.8443 -15.8644 -15.8644 -15.8644 -15.8644 -15.7176 -15.7176 -15.7176 -15.7176 0.7721 0.7721 0.7721 0.7721 1.3125 1.3125 1.3125 1.3125 1.8198 1.8198 1.8198 1.8198 2.5285 2.5285 2.5285 2.5285 3.1598 3.1598 3.1598 3.1598 3.2751 3.2751 3.2751 3.2751 5.8418 5.8418 5.8418 5.8418 6.1021 6.1021 6.1021 6.1021 6.3144 6.3144 6.3144 6.3144 7.4316 7.4316 7.4316 7.4316 7.6778 7.6778 7.6778 7.6778 14.8648 14.8648 14.8648 14.8648 15.6898 15.6898 15.6898 15.6898 k = 0.5000 0.5000 0.4823 ( 4260 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3777 -45.3777 -45.3777 -45.3777 -40.9748 -40.9748 -40.9748 -40.9748 -40.8442 -40.8442 -40.8442 -40.8442 -15.8598 -15.8598 -15.8598 -15.8598 -15.7196 -15.7196 -15.7196 -15.7196 0.7902 0.7902 0.7902 0.7902 1.3238 1.3238 1.3238 1.3238 1.7893 1.7893 1.7893 1.7893 2.4959 2.4959 2.4959 2.4959 3.1842 3.1842 3.1842 3.1842 3.2867 3.2867 3.2867 3.2867 5.8482 5.8482 5.8482 5.8482 6.0983 6.0983 6.0983 6.0983 6.3171 6.3171 6.3171 6.3171 7.4077 7.4077 7.4077 7.4077 7.6799 7.6799 7.6799 7.6799 14.9318 14.9318 14.9318 14.9318 15.7608 15.7608 15.7608 15.7608 k = 0.5000 0.5000 0.4978 ( 4288 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3778 -45.3778 -45.3778 -45.3778 -40.9753 -40.9753 -40.9753 -40.9753 -40.8441 -40.8441 -40.8441 -40.8441 -15.8555 -15.8555 -15.8555 -15.8555 -15.7215 -15.7215 -15.7215 -15.7215 0.8075 0.8075 0.8075 0.8075 1.3358 1.3358 1.3358 1.3358 1.7604 1.7604 1.7604 1.7604 2.4633 2.4633 2.4633 2.4633 3.2074 3.2074 3.2074 3.2074 3.2979 3.2979 3.2979 3.2979 5.8539 5.8539 5.8539 5.8539 6.0931 6.0931 6.0931 6.0931 6.3209 6.3209 6.3209 6.3209 7.3842 7.3842 7.3842 7.3842 7.6823 7.6823 7.6823 7.6823 14.9991 14.9991 14.9991 14.9991 15.8328 15.8328 15.8328 15.8328 k = 0.5000 0.5000 0.5134 ( 4312 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3780 -45.3780 -45.3780 -45.3780 -40.9758 -40.9758 -40.9758 -40.9758 -40.8440 -40.8440 -40.8440 -40.8440 -15.8513 -15.8513 -15.8513 -15.8513 -15.7233 -15.7233 -15.7233 -15.7233 0.8239 0.8239 0.8239 0.8239 1.3483 1.3483 1.3483 1.3483 1.7333 1.7333 1.7333 1.7333 2.4313 2.4313 2.4313 2.4313 3.2297 3.2297 3.2297 3.2297 3.3088 3.3088 3.3088 3.3088 5.8590 5.8590 5.8590 5.8590 6.0869 6.0869 6.0869 6.0869 6.3257 6.3257 6.3257 6.3257 7.3613 7.3613 7.3613 7.3613 7.6847 7.6847 7.6847 7.6847 15.0664 15.0664 15.0664 15.0664 15.9056 15.9056 15.9056 15.9056 k = 0.5000 0.5000 0.5289 ( 4304 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3781 -45.3781 -45.3781 -45.3781 -40.9762 -40.9762 -40.9762 -40.9762 -40.8439 -40.8439 -40.8439 -40.8439 -15.8473 -15.8473 -15.8473 -15.8473 -15.7250 -15.7250 -15.7250 -15.7250 0.8394 0.8394 0.8394 0.8394 1.3614 1.3614 1.3614 1.3614 1.7082 1.7082 1.7082 1.7082 2.3999 2.3999 2.3999 2.3999 3.2510 3.2510 3.2510 3.2510 3.3194 3.3194 3.3194 3.3194 5.8637 5.8637 5.8637 5.8637 6.0802 6.0802 6.0802 6.0802 6.3313 6.3313 6.3313 6.3313 7.3396 7.3396 7.3396 7.3396 7.6871 7.6871 7.6871 7.6871 15.1336 15.1336 15.1336 15.1336 15.9792 15.9792 15.9792 15.9792 k = 0.5000 0.5000 0.5445 ( 4304 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3783 -45.3783 -45.3783 -45.3783 -40.9767 -40.9767 -40.9767 -40.9767 -40.8438 -40.8438 -40.8438 -40.8438 -15.8435 -15.8435 -15.8435 -15.8435 -15.7266 -15.7266 -15.7266 -15.7266 0.8539 0.8539 0.8539 0.8539 1.3749 1.3749 1.3749 1.3749 1.6849 1.6849 1.6849 1.6849 2.3693 2.3693 2.3693 2.3693 3.2709 3.2709 3.2709 3.2709 3.3294 3.3294 3.3294 3.3294 5.8677 5.8677 5.8677 5.8677 6.0731 6.0731 6.0731 6.0731 6.3373 6.3373 6.3373 6.3373 7.3190 7.3190 7.3190 7.3190 7.6894 7.6894 7.6894 7.6894 15.2002 15.2002 15.2002 15.2002 16.0535 16.0535 16.0535 16.0535 k = 0.5000 0.5000 0.5601 ( 4304 PWs) bands (ev): -76.5513 -76.5513 -76.5513 -76.5513 -45.3784 -45.3784 -45.3784 -45.3784 -40.9771 -40.9771 -40.9771 -40.9771 -40.8438 -40.8438 -40.8438 -40.8438 -15.8399 -15.8399 -15.8399 -15.8399 -15.7281 -15.7281 -15.7281 -15.7281 0.8673 0.8673 0.8673 0.8673 1.3886 1.3886 1.3886 1.3886 1.6636 1.6636 1.6636 1.6636 2.3397 2.3397 2.3397 2.3397 3.2894 3.2894 3.2894 3.2894 3.3390 3.3390 3.3390 3.3390 5.8713 5.8713 5.8713 5.8713 6.0659 6.0659 6.0659 6.0659 6.3434 6.3434 6.3434 6.3434 7.2997 7.2997 7.2997 7.2997 7.6916 7.6916 7.6916 7.6916 15.2657 15.2657 15.2657 15.2657 16.1283 16.1283 16.1283 16.1283 k = 0.5000 0.5000 0.5756 ( 4304 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3785 -45.3785 -45.3785 -45.3785 -40.9774 -40.9774 -40.9774 -40.9774 -40.8437 -40.8437 -40.8437 -40.8437 -15.8366 -15.8366 -15.8366 -15.8366 -15.7295 -15.7295 -15.7295 -15.7295 0.8796 0.8796 0.8796 0.8796 1.4024 1.4024 1.4024 1.4024 1.6443 1.6443 1.6443 1.6443 2.3111 2.3111 2.3111 2.3111 3.3065 3.3065 3.3065 3.3065 3.3481 3.3481 3.3481 3.3481 5.8743 5.8743 5.8743 5.8743 6.0589 6.0589 6.0589 6.0589 6.3494 6.3494 6.3494 6.3494 7.2817 7.2817 7.2817 7.2817 7.6936 7.6936 7.6936 7.6936 15.3298 15.3298 15.3298 15.3298 16.2036 16.2036 16.2036 16.2036 k = 0.5000 0.5000 0.5912 ( 4304 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3786 -45.3786 -45.3786 -45.3786 -40.9778 -40.9778 -40.9778 -40.9778 -40.8436 -40.8436 -40.8436 -40.8436 -15.8336 -15.8336 -15.8336 -15.8336 -15.7308 -15.7308 -15.7308 -15.7308 0.8906 0.8906 0.8906 0.8906 1.4160 1.4160 1.4160 1.4160 1.6269 1.6269 1.6269 1.6269 2.2840 2.2840 2.2840 2.2840 3.3221 3.3221 3.3221 3.3221 3.3566 3.3566 3.3566 3.3566 5.8769 5.8769 5.8769 5.8769 6.0521 6.0521 6.0521 6.0521 6.3553 6.3553 6.3553 6.3553 7.2652 7.2652 7.2652 7.2652 7.6953 7.6953 7.6953 7.6953 15.3918 15.3918 15.3918 15.3918 16.2791 16.2791 16.2791 16.2791 k = 0.5000 0.5000 0.6067 ( 4296 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3787 -45.3787 -45.3787 -45.3787 -40.9781 -40.9781 -40.9781 -40.9781 -40.8436 -40.8436 -40.8436 -40.8436 -15.8308 -15.8308 -15.8308 -15.8308 -15.7319 -15.7319 -15.7319 -15.7319 0.9005 0.9005 0.9005 0.9005 1.4294 1.4294 1.4294 1.4294 1.6115 1.6115 1.6115 1.6115 2.2586 2.2586 2.2586 2.2586 3.3360 3.3360 3.3360 3.3360 3.3646 3.3646 3.3646 3.3646 5.8790 5.8790 5.8790 5.8790 6.0459 6.0459 6.0459 6.0459 6.3609 6.3609 6.3609 6.3609 7.2503 7.2503 7.2503 7.2503 7.6968 7.6968 7.6968 7.6968 15.4511 15.4511 15.4511 15.4511 16.3546 16.3546 16.3546 16.3546 k = 0.5000 0.5000 0.6223 ( 4296 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3788 -45.3788 -45.3788 -45.3788 -40.9784 -40.9784 -40.9784 -40.9784 -40.8435 -40.8435 -40.8435 -40.8435 -15.8284 -15.8284 -15.8284 -15.8284 -15.7330 -15.7330 -15.7330 -15.7330 0.9092 0.9092 0.9092 0.9092 1.4421 1.4421 1.4421 1.4421 1.5981 1.5981 1.5981 1.5981 2.2350 2.2350 2.2350 2.2350 3.3481 3.3481 3.3481 3.3481 3.3721 3.3721 3.3721 3.3721 5.8806 5.8806 5.8806 5.8806 6.0402 6.0402 6.0402 6.0402 6.3660 6.3660 6.3660 6.3660 7.2370 7.2370 7.2370 7.2370 7.6981 7.6981 7.6981 7.6981 15.5069 15.5069 15.5069 15.5069 16.4294 16.4294 16.4294 16.4294 k = 0.5000 0.5000 0.6378 ( 4296 PWs) bands (ev): -76.5512 -76.5512 -76.5512 -76.5512 -45.3789 -45.3789 -45.3789 -45.3789 -40.9786 -40.9786 -40.9786 -40.9786 -40.8435 -40.8435 -40.8435 -40.8435 -15.8262 -15.8262 -15.8262 -15.8262 -15.7339 -15.7339 -15.7339 -15.7339 0.9166 0.9166 0.9166 0.9166 1.4540 1.4540 1.4540 1.4540 1.5866 1.5866 1.5866 1.5866 2.2136 2.2136 2.2136 2.2136 3.3584 3.3584 3.3584 3.3584 3.3789 3.3789 3.3789 3.3789 5.8819 5.8819 5.8819 5.8819 6.0352 6.0352 6.0352 6.0352 6.3706 6.3706 6.3706 6.3706 7.2254 7.2254 7.2254 7.2254 7.6991 7.6991 7.6991 7.6991 15.5583 15.5583 15.5583 15.5583 16.5031 16.5031 16.5031 16.5031 k = 0.5000 0.5000 0.6534 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3789 -45.3789 -45.3789 -45.3789 -40.9788 -40.9788 -40.9788 -40.9788 -40.8434 -40.8434 -40.8434 -40.8434 -15.8244 -15.8244 -15.8244 -15.8244 -15.7346 -15.7346 -15.7346 -15.7346 0.9229 0.9229 0.9229 0.9229 1.4648 1.4648 1.4648 1.4648 1.5771 1.5771 1.5771 1.5771 2.1948 2.1948 2.1948 2.1948 3.3668 3.3668 3.3668 3.3668 3.3851 3.3851 3.3851 3.3851 5.8830 5.8830 5.8830 5.8830 6.0309 6.0309 6.0309 6.0309 6.3746 6.3746 6.3746 6.3746 7.2155 7.2155 7.2155 7.2155 7.7001 7.7001 7.7001 7.7001 15.6044 15.6044 15.6044 15.6044 16.5746 16.5746 16.5746 16.5746 k = 0.5000 0.5000 0.6690 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3790 -45.3790 -45.3790 -45.3790 -40.9790 -40.9790 -40.9790 -40.9790 -40.8434 -40.8434 -40.8434 -40.8434 -15.8229 -15.8229 -15.8229 -15.8229 -15.7353 -15.7353 -15.7353 -15.7353 0.9279 0.9279 0.9279 0.9279 1.4741 1.4741 1.4741 1.4741 1.5695 1.5695 1.5695 1.5695 2.1787 2.1787 2.1787 2.1787 3.3734 3.3734 3.3734 3.3734 3.3906 3.3906 3.3906 3.3906 5.8837 5.8837 5.8837 5.8837 6.0273 6.0273 6.0273 6.0273 6.3779 6.3779 6.3779 6.3779 7.2074 7.2074 7.2074 7.2074 7.7008 7.7008 7.7008 7.7008 15.6441 15.6441 15.6441 15.6441 16.6422 16.6422 16.6422 16.6422 k = 0.5000 0.5000 0.6845 ( 4284 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3790 -45.3790 -45.3790 -45.3790 -40.9791 -40.9791 -40.9791 -40.9791 -40.8434 -40.8434 -40.8434 -40.8434 -15.8217 -15.8217 -15.8217 -15.8217 -15.7358 -15.7358 -15.7358 -15.7358 0.9318 0.9318 0.9318 0.9318 1.4816 1.4816 1.4816 1.4816 1.5636 1.5636 1.5636 1.5636 2.1659 2.1659 2.1659 2.1659 3.3782 3.3782 3.3782 3.3782 3.3952 3.3952 3.3952 3.3952 5.8842 5.8842 5.8842 5.8842 6.0245 6.0245 6.0245 6.0245 6.3806 6.3806 6.3806 6.3806 7.2010 7.2010 7.2010 7.2010 7.7013 7.7013 7.7013 7.7013 15.6765 15.6765 15.6765 15.6765 16.7033 16.7033 16.7033 16.7033 k = 0.5000 0.5000 0.7001 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3790 -45.3790 -45.3790 -45.3790 -40.9792 -40.9792 -40.9792 -40.9792 -40.8433 -40.8433 -40.8433 -40.8433 -15.8208 -15.8208 -15.8208 -15.8208 -15.7362 -15.7362 -15.7362 -15.7362 0.9346 0.9346 0.9346 0.9346 1.4872 1.4872 1.4872 1.4872 1.5595 1.5595 1.5595 1.5595 2.1564 2.1564 2.1564 2.1564 3.3816 3.3816 3.3816 3.3816 3.3987 3.3987 3.3987 3.3987 5.8845 5.8845 5.8845 5.8845 6.0224 6.0224 6.0224 6.0224 6.3825 6.3825 6.3825 6.3825 7.1964 7.1964 7.1964 7.1964 7.7017 7.7017 7.7017 7.7017 15.7004 15.7004 15.7004 15.7004 16.7538 16.7538 16.7538 16.7538 k = 0.5000 0.5000 0.7156 ( 4292 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8203 -15.8203 -15.8203 -15.8203 -15.7364 -15.7364 -15.7364 -15.7364 0.9362 0.9362 0.9362 0.9362 1.4906 1.4906 1.4906 1.4906 1.5571 1.5571 1.5571 1.5571 2.1506 2.1506 2.1506 2.1506 3.3835 3.3835 3.3835 3.3835 3.4008 3.4008 3.4008 3.4008 5.8847 5.8847 5.8847 5.8847 6.0212 6.0212 6.0212 6.0212 6.3836 6.3836 6.3836 6.3836 7.1936 7.1936 7.1936 7.1936 7.7019 7.7019 7.7019 7.7019 15.7151 15.7151 15.7151 15.7151 16.7882 16.7882 16.7882 16.7882 k = 0.5000 0.5000 0.7312 ( 4296 PWs) bands (ev): -76.5511 -76.5511 -76.5511 -76.5511 -45.3791 -45.3791 -45.3791 -45.3791 -40.9793 -40.9793 -40.9793 -40.9793 -40.8433 -40.8433 -40.8433 -40.8433 -15.8201 -15.8201 -15.8201 -15.8201 -15.7364 -15.7364 -15.7364 -15.7364 0.9367 0.9367 0.9367 0.9367 1.4917 1.4917 1.4917 1.4917 1.5563 1.5563 1.5563 1.5563 2.1487 2.1487 2.1487 2.1487 3.3841 3.3841 3.3841 3.3841 3.4015 3.4015 3.4015 3.4015 5.8847 5.8847 5.8847 5.8847 6.0208 6.0208 6.0208 6.0208 6.3840 6.3840 6.3840 6.3840 7.1927 7.1927 7.1927 7.1927 7.7020 7.7020 7.7020 7.7020 15.7201 15.7201 15.7201 15.7201 16.8006 16.8006 16.8006 16.8006 Writing output data file PdF2.save init_run : 0.28s CPU 0.50s WALL ( 1 calls) electrons : 179.95s CPU 183.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 179.93s CPU 183.47s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 368 calls) cegterg : 166.51s CPU 168.91s WALL ( 402 calls) Called by sum_band: Called by *egterg: h_psi : 79.40s CPU 81.31s WALL ( 6160 calls) s_psi : 4.67s CPU 4.79s WALL ( 6160 calls) g_psi : 0.26s CPU 0.28s WALL ( 5390 calls) cdiaghg : 69.68s CPU 70.42s WALL ( 5758 calls) cegterg:over : 9.06s CPU 8.99s WALL ( 5390 calls) cegterg:upda : 7.24s CPU 7.25s WALL ( 5390 calls) cegterg:last : 4.52s CPU 4.55s WALL ( 1054 calls) cdiaghg:chol : 3.99s CPU 4.09s WALL ( 5758 calls) cdiaghg:inve : 2.95s CPU 2.92s WALL ( 5758 calls) cdiaghg:para : 5.12s CPU 5.33s WALL ( 11516 calls) Called by h_psi: h_psi:vloc : 67.82s CPU 69.61s WALL ( 6160 calls) h_psi:vnl : 11.32s CPU 11.40s WALL ( 6160 calls) add_vuspsi : 5.70s CPU 5.70s WALL ( 6160 calls) General routines calbec : 5.61s CPU 5.68s WALL ( 6160 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 61.00s CPU 62.80s WALL ( 954652 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.42s WALL ( 736 calls) Parallel routines fft_scatter : 26.35s CPU 27.53s WALL ( 954675 calls) PWSCF : 3m25.19s CPU 3m48.04s WALL This run was terminated on: 18: 1:59 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=