Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16: 1:21 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: ./CrSBr.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 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 42 42 12 2408 2408 366 Max 43 43 13 2414 2414 372 Sum 1515 1515 435 86867 86867 13267 bravais-lattice index = 14 lattice parameter (alat) = 6.6254 a.u. unit-cell volume = 898.3371 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 54.00 number of Kohn-Sham states= 64 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.625379 celldm(2)= 1.359669 celldm(3)= 2.271820 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 1.359669 0.000000 ) a(3) = ( 0.000000 0.000000 2.271820 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.735473 -0.000000 ) b(3) = ( 0.000000 0.000000 0.440176 ) PseudoPot. # 1 for Cr read from file: /users/gautes/Pseudo/Cr.rel-pbe-oncvpsp.UPF MD5 check sum: 05b5af6f30ea3763d55f309fcccb1da3 Pseudo is Norm-conserving, Zval = 14.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 1638 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 PseudoPot. # 2 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 PseudoPot. # 3 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 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 atomic species valence mass pseudopotential Cr 14.00 51.99610 Cr( 1.00) S 6.00 32.06500 S( 1.00) Br 7.00 79.90400 Br( 1.00) 8 Sym. Ops., with inversion, found ( 6 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 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.6798346 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.6798346 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.6798346 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.6798346 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] i 5 inversion -i -5 inversion E s_v -s_v 6 -6 inv. 180 deg rotation - cart. axis [0,0,1] s_v'-s_v' 7 -7 inv. 180 deg rotation - cart. axis [0,1,0] s_v''-s_v' 8 -8 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0024752 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0024752 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0024752 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0024752 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0024752 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0024752 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0024752 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0024752 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0024752 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0024752 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0024752 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0024752 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0024752 k( 16) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0024752 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0024752 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0024752 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0024752 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0024752 k( 22) = ( 0.2333333 -0.0000000 -0.0000000), wk = 0.0024752 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0024752 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0024752 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0024752 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0024752 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0024752 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0024752 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0024752 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0024752 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0024752 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0024752 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0024752 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0024752 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0024752 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0024752 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0024752 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0024752 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0024752 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0024752 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0024752 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0024752 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0024752 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 48) = ( 0.5000000 0.0111435 -0.0000000), wk = 0.0024752 k( 49) = ( 0.5000000 0.0222871 -0.0000000), wk = 0.0024752 k( 50) = ( 0.5000000 0.0334306 -0.0000000), wk = 0.0024752 k( 51) = ( 0.5000000 0.0445741 -0.0000000), wk = 0.0024752 k( 52) = ( 0.5000000 0.0557177 -0.0000000), wk = 0.0024752 k( 53) = ( 0.5000000 0.0668612 -0.0000000), wk = 0.0024752 k( 54) = ( 0.5000000 0.0780047 -0.0000000), wk = 0.0024752 k( 55) = ( 0.5000000 0.0891482 -0.0000000), wk = 0.0024752 k( 56) = ( 0.5000000 0.1002918 -0.0000000), wk = 0.0024752 k( 57) = ( 0.5000000 0.1114353 -0.0000000), wk = 0.0024752 k( 58) = ( 0.5000000 0.1225788 -0.0000000), wk = 0.0024752 k( 59) = ( 0.5000000 0.1337224 -0.0000000), wk = 0.0024752 k( 60) = ( 0.5000000 0.1448659 -0.0000000), wk = 0.0024752 k( 61) = ( 0.5000000 0.1560094 -0.0000000), wk = 0.0024752 k( 62) = ( 0.5000000 0.1671530 -0.0000000), wk = 0.0024752 k( 63) = ( 0.5000000 0.1782965 -0.0000000), wk = 0.0024752 k( 64) = ( 0.5000000 0.1894400 -0.0000000), wk = 0.0024752 k( 65) = ( 0.5000000 0.2005836 -0.0000000), wk = 0.0024752 k( 66) = ( 0.5000000 0.2117271 -0.0000000), wk = 0.0024752 k( 67) = ( 0.5000000 0.2228706 -0.0000000), wk = 0.0024752 k( 68) = ( 0.5000000 0.2340142 -0.0000000), wk = 0.0024752 k( 69) = ( 0.5000000 0.2451577 -0.0000000), wk = 0.0024752 k( 70) = ( 0.5000000 0.2563012 -0.0000000), wk = 0.0024752 k( 71) = ( 0.5000000 0.2674447 -0.0000000), wk = 0.0024752 k( 72) = ( 0.5000000 0.2785883 -0.0000000), wk = 0.0024752 k( 73) = ( 0.5000000 0.2897318 -0.0000000), wk = 0.0024752 k( 74) = ( 0.5000000 0.3008753 -0.0000000), wk = 0.0024752 k( 75) = ( 0.5000000 0.3120189 -0.0000000), wk = 0.0024752 k( 76) = ( 0.5000000 0.3231624 -0.0000000), wk = 0.0024752 k( 77) = ( 0.5000000 0.3343059 -0.0000000), wk = 0.0024752 k( 78) = ( 0.5000000 0.3454495 -0.0000000), wk = 0.0024752 k( 79) = ( 0.5000000 0.3565930 -0.0000000), wk = 0.0024752 k( 80) = ( 0.5000000 0.3677365 -0.0000000), wk = 0.0024752 k( 81) = ( 0.5000000 0.3677365 -0.0000000), wk = 0.0024752 k( 82) = ( 0.4888889 0.3677365 -0.0000000), wk = 0.0024752 k( 83) = ( 0.4777778 0.3677365 -0.0000000), wk = 0.0024752 k( 84) = ( 0.4666667 0.3677365 -0.0000000), wk = 0.0024752 k( 85) = ( 0.4555556 0.3677365 -0.0000000), wk = 0.0024752 k( 86) = ( 0.4444444 0.3677365 -0.0000000), wk = 0.0024752 k( 87) = ( 0.4333333 0.3677365 -0.0000000), wk = 0.0024752 k( 88) = ( 0.4222222 0.3677365 -0.0000000), wk = 0.0024752 k( 89) = ( 0.4111111 0.3677365 -0.0000000), wk = 0.0024752 k( 90) = ( 0.4000000 0.3677365 -0.0000000), wk = 0.0024752 k( 91) = ( 0.3888889 0.3677365 -0.0000000), wk = 0.0024752 k( 92) = ( 0.3777778 0.3677365 -0.0000000), wk = 0.0024752 k( 93) = ( 0.3666667 0.3677365 -0.0000000), wk = 0.0024752 k( 94) = ( 0.3555556 0.3677365 -0.0000000), wk = 0.0024752 k( 95) = ( 0.3444444 0.3677365 -0.0000000), wk = 0.0024752 k( 96) = ( 0.3333333 0.3677365 -0.0000000), wk = 0.0024752 k( 97) = ( 0.3222222 0.3677365 -0.0000000), wk = 0.0024752 k( 98) = ( 0.3111111 0.3677365 -0.0000000), wk = 0.0024752 k( 99) = ( 0.3000000 0.3677365 -0.0000000), wk = 0.0024752 k( 100) = ( 0.2888889 0.3677365 -0.0000000), wk = 0.0024752 k( 101) = ( 0.2777778 0.3677365 -0.0000000), wk = 0.0024752 k( 102) = ( 0.2666667 0.3677365 -0.0000000), wk = 0.0024752 k( 103) = ( 0.2555556 0.3677365 -0.0000000), wk = 0.0024752 k( 104) = ( 0.2444444 0.3677365 -0.0000000), wk = 0.0024752 k( 105) = ( 0.2333333 0.3677365 -0.0000000), wk = 0.0024752 k( 106) = ( 0.2222222 0.3677365 -0.0000000), wk = 0.0024752 k( 107) = ( 0.2111111 0.3677365 -0.0000000), wk = 0.0024752 k( 108) = ( 0.2000000 0.3677365 -0.0000000), wk = 0.0024752 k( 109) = ( 0.1888889 0.3677365 -0.0000000), wk = 0.0024752 k( 110) = ( 0.1777778 0.3677365 -0.0000000), wk = 0.0024752 k( 111) = ( 0.1666667 0.3677365 -0.0000000), wk = 0.0024752 k( 112) = ( 0.1555556 0.3677365 -0.0000000), wk = 0.0024752 k( 113) = ( 0.1444444 0.3677365 -0.0000000), wk = 0.0024752 k( 114) = ( 0.1333333 0.3677365 -0.0000000), wk = 0.0024752 k( 115) = ( 0.1222222 0.3677365 -0.0000000), wk = 0.0024752 k( 116) = ( 0.1111111 0.3677365 -0.0000000), wk = 0.0024752 k( 117) = ( 0.1000000 0.3677365 -0.0000000), wk = 0.0024752 k( 118) = ( 0.0888889 0.3677365 -0.0000000), wk = 0.0024752 k( 119) = ( 0.0777778 0.3677365 -0.0000000), wk = 0.0024752 k( 120) = ( 0.0666667 0.3677365 -0.0000000), wk = 0.0024752 k( 121) = ( 0.0555556 0.3677365 -0.0000000), wk = 0.0024752 k( 122) = ( 0.0444444 0.3677365 -0.0000000), wk = 0.0024752 k( 123) = ( 0.0333333 0.3677365 -0.0000000), wk = 0.0024752 k( 124) = ( 0.0222222 0.3677365 -0.0000000), wk = 0.0024752 k( 125) = ( 0.0111111 0.3677365 -0.0000000), wk = 0.0024752 k( 126) = ( 0.0000000 0.3677365 -0.0000000), wk = 0.0024752 k( 127) = ( 0.0000000 0.3677365 -0.0000000), wk = 0.0024752 k( 128) = ( 0.0000000 0.3565930 -0.0000000), wk = 0.0024752 k( 129) = ( 0.0000000 0.3454495 -0.0000000), wk = 0.0024752 k( 130) = ( 0.0000000 0.3343059 -0.0000000), wk = 0.0024752 k( 131) = ( 0.0000000 0.3231624 -0.0000000), wk = 0.0024752 k( 132) = ( 0.0000000 0.3120189 -0.0000000), wk = 0.0024752 k( 133) = ( 0.0000000 0.3008753 -0.0000000), wk = 0.0024752 k( 134) = ( 0.0000000 0.2897318 -0.0000000), wk = 0.0024752 k( 135) = ( 0.0000000 0.2785883 -0.0000000), wk = 0.0024752 k( 136) = ( 0.0000000 0.2674447 -0.0000000), wk = 0.0024752 k( 137) = ( 0.0000000 0.2563012 -0.0000000), wk = 0.0024752 k( 138) = ( 0.0000000 0.2451577 -0.0000000), wk = 0.0024752 k( 139) = ( 0.0000000 0.2340142 -0.0000000), wk = 0.0024752 k( 140) = ( 0.0000000 0.2228706 -0.0000000), wk = 0.0024752 k( 141) = ( 0.0000000 0.2117271 -0.0000000), wk = 0.0024752 k( 142) = ( 0.0000000 0.2005836 -0.0000000), wk = 0.0024752 k( 143) = ( 0.0000000 0.1894400 -0.0000000), wk = 0.0024752 k( 144) = ( 0.0000000 0.1782965 -0.0000000), wk = 0.0024752 k( 145) = ( 0.0000000 0.1671530 -0.0000000), wk = 0.0024752 k( 146) = ( 0.0000000 0.1560094 -0.0000000), wk = 0.0024752 k( 147) = ( 0.0000000 0.1448659 -0.0000000), wk = 0.0024752 k( 148) = ( 0.0000000 0.1337224 -0.0000000), wk = 0.0024752 k( 149) = ( 0.0000000 0.1225788 -0.0000000), wk = 0.0024752 k( 150) = ( 0.0000000 0.1114353 -0.0000000), wk = 0.0024752 k( 151) = ( 0.0000000 0.1002918 -0.0000000), wk = 0.0024752 k( 152) = ( 0.0000000 0.0891482 -0.0000000), wk = 0.0024752 k( 153) = ( 0.0000000 0.0780047 -0.0000000), wk = 0.0024752 k( 154) = ( 0.0000000 0.0668612 -0.0000000), wk = 0.0024752 k( 155) = ( 0.0000000 0.0557177 -0.0000000), wk = 0.0024752 k( 156) = ( 0.0000000 0.0445741 -0.0000000), wk = 0.0024752 k( 157) = ( 0.0000000 0.0334306 -0.0000000), wk = 0.0024752 k( 158) = ( 0.0000000 0.0222871 -0.0000000), wk = 0.0024752 k( 159) = ( 0.0000000 0.0111435 -0.0000000), wk = 0.0024752 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 162) = ( 0.0000000 0.0000000 0.0110044), wk = 0.0024752 k( 163) = ( 0.0000000 0.0000000 0.0220088), wk = 0.0024752 k( 164) = ( 0.0000000 0.0000000 0.0330132), wk = 0.0024752 k( 165) = ( 0.0000000 0.0000000 0.0440176), wk = 0.0024752 k( 166) = ( 0.0000000 0.0000000 0.0550220), wk = 0.0024752 k( 167) = ( 0.0000000 0.0000000 0.0660264), wk = 0.0024752 k( 168) = ( 0.0000000 0.0000000 0.0770308), wk = 0.0024752 k( 169) = ( 0.0000000 0.0000000 0.0880352), wk = 0.0024752 k( 170) = ( 0.0000000 0.0000000 0.0990395), wk = 0.0024752 k( 171) = ( 0.0000000 0.0000000 0.1100439), wk = 0.0024752 k( 172) = ( 0.0000000 0.0000000 0.1210483), wk = 0.0024752 k( 173) = ( 0.0000000 0.0000000 0.1320527), wk = 0.0024752 k( 174) = ( 0.0000000 0.0000000 0.1430571), wk = 0.0024752 k( 175) = ( 0.0000000 0.0000000 0.1540615), wk = 0.0024752 k( 176) = ( 0.0000000 0.0000000 0.1650659), wk = 0.0024752 k( 177) = ( 0.0000000 0.0000000 0.1760703), wk = 0.0024752 k( 178) = ( 0.0000000 0.0000000 0.1870747), wk = 0.0024752 k( 179) = ( 0.0000000 0.0000000 0.1980791), wk = 0.0024752 k( 180) = ( 0.0000000 0.0000000 0.2090835), wk = 0.0024752 k( 181) = ( 0.0000000 0.0000000 0.2200879), wk = 0.0024752 k( 182) = ( 0.0000000 0.0000000 0.2200879), wk = 0.0024752 k( 183) = ( 0.0111111 -0.0000000 0.2200879), wk = 0.0024752 k( 184) = ( 0.0222222 -0.0000000 0.2200879), wk = 0.0024752 k( 185) = ( 0.0333333 -0.0000000 0.2200879), wk = 0.0024752 k( 186) = ( 0.0444444 -0.0000000 0.2200879), wk = 0.0024752 k( 187) = ( 0.0555556 -0.0000000 0.2200879), wk = 0.0024752 k( 188) = ( 0.0666667 -0.0000000 0.2200879), wk = 0.0024752 k( 189) = ( 0.0777778 -0.0000000 0.2200879), wk = 0.0024752 k( 190) = ( 0.0888889 -0.0000000 0.2200879), wk = 0.0024752 k( 191) = ( 0.1000000 -0.0000000 0.2200879), wk = 0.0024752 k( 192) = ( 0.1111111 -0.0000000 0.2200879), wk = 0.0024752 k( 193) = ( 0.1222222 -0.0000000 0.2200879), wk = 0.0024752 k( 194) = ( 0.1333333 -0.0000000 0.2200879), wk = 0.0024752 k( 195) = ( 0.1444444 -0.0000000 0.2200879), wk = 0.0024752 k( 196) = ( 0.1555556 -0.0000000 0.2200879), wk = 0.0024752 k( 197) = ( 0.1666667 -0.0000000 0.2200879), wk = 0.0024752 k( 198) = ( 0.1777778 -0.0000000 0.2200879), wk = 0.0024752 k( 199) = ( 0.1888889 -0.0000000 0.2200879), wk = 0.0024752 k( 200) = ( 0.2000000 -0.0000000 0.2200879), wk = 0.0024752 k( 201) = ( 0.2111111 -0.0000000 0.2200879), wk = 0.0024752 k( 202) = ( 0.2222222 -0.0000000 0.2200879), wk = 0.0024752 k( 203) = ( 0.2333333 -0.0000000 0.2200879), wk = 0.0024752 k( 204) = ( 0.2444444 -0.0000000 0.2200879), wk = 0.0024752 k( 205) = ( 0.2555556 -0.0000000 0.2200879), wk = 0.0024752 k( 206) = ( 0.2666667 -0.0000000 0.2200879), wk = 0.0024752 k( 207) = ( 0.2777778 -0.0000000 0.2200879), wk = 0.0024752 k( 208) = ( 0.2888889 -0.0000000 0.2200879), wk = 0.0024752 k( 209) = ( 0.3000000 -0.0000000 0.2200879), wk = 0.0024752 k( 210) = ( 0.3111111 -0.0000000 0.2200879), wk = 0.0024752 k( 211) = ( 0.3222222 -0.0000000 0.2200879), wk = 0.0024752 k( 212) = ( 0.3333333 -0.0000000 0.2200879), wk = 0.0024752 k( 213) = ( 0.3444444 -0.0000000 0.2200879), wk = 0.0024752 k( 214) = ( 0.3555556 -0.0000000 0.2200879), wk = 0.0024752 k( 215) = ( 0.3666667 -0.0000000 0.2200879), wk = 0.0024752 k( 216) = ( 0.3777778 -0.0000000 0.2200879), wk = 0.0024752 k( 217) = ( 0.3888889 -0.0000000 0.2200879), wk = 0.0024752 k( 218) = ( 0.4000000 -0.0000000 0.2200879), wk = 0.0024752 k( 219) = ( 0.4111111 -0.0000000 0.2200879), wk = 0.0024752 k( 220) = ( 0.4222222 -0.0000000 0.2200879), wk = 0.0024752 k( 221) = ( 0.4333333 -0.0000000 0.2200879), wk = 0.0024752 k( 222) = ( 0.4444444 -0.0000000 0.2200879), wk = 0.0024752 k( 223) = ( 0.4555556 -0.0000000 0.2200879), wk = 0.0024752 k( 224) = ( 0.4666667 -0.0000000 0.2200879), wk = 0.0024752 k( 225) = ( 0.4777778 -0.0000000 0.2200879), wk = 0.0024752 k( 226) = ( 0.4888889 -0.0000000 0.2200879), wk = 0.0024752 k( 227) = ( 0.5000000 -0.0000000 0.2200879), wk = 0.0024752 k( 228) = ( 0.5000000 -0.0000000 0.2200879), wk = 0.0024752 k( 229) = ( 0.5000000 0.0111435 0.2200879), wk = 0.0024752 k( 230) = ( 0.5000000 0.0222871 0.2200879), wk = 0.0024752 k( 231) = ( 0.5000000 0.0334306 0.2200879), wk = 0.0024752 k( 232) = ( 0.5000000 0.0445741 0.2200879), wk = 0.0024752 k( 233) = ( 0.5000000 0.0557177 0.2200879), wk = 0.0024752 k( 234) = ( 0.5000000 0.0668612 0.2200879), wk = 0.0024752 k( 235) = ( 0.5000000 0.0780047 0.2200879), wk = 0.0024752 k( 236) = ( 0.5000000 0.0891482 0.2200879), wk = 0.0024752 k( 237) = ( 0.5000000 0.1002918 0.2200879), wk = 0.0024752 k( 238) = ( 0.5000000 0.1114353 0.2200879), wk = 0.0024752 k( 239) = ( 0.5000000 0.1225788 0.2200879), wk = 0.0024752 k( 240) = ( 0.5000000 0.1337224 0.2200879), wk = 0.0024752 k( 241) = ( 0.5000000 0.1448659 0.2200879), wk = 0.0024752 k( 242) = ( 0.5000000 0.1560094 0.2200879), wk = 0.0024752 k( 243) = ( 0.5000000 0.1671530 0.2200879), wk = 0.0024752 k( 244) = ( 0.5000000 0.1782965 0.2200879), wk = 0.0024752 k( 245) = ( 0.5000000 0.1894400 0.2200879), wk = 0.0024752 k( 246) = ( 0.5000000 0.2005836 0.2200879), wk = 0.0024752 k( 247) = ( 0.5000000 0.2117271 0.2200879), wk = 0.0024752 k( 248) = ( 0.5000000 0.2228706 0.2200879), wk = 0.0024752 k( 249) = ( 0.5000000 0.2340142 0.2200879), wk = 0.0024752 k( 250) = ( 0.5000000 0.2451577 0.2200879), wk = 0.0024752 k( 251) = ( 0.5000000 0.2563012 0.2200879), wk = 0.0024752 k( 252) = ( 0.5000000 0.2674447 0.2200879), wk = 0.0024752 k( 253) = ( 0.5000000 0.2785883 0.2200879), wk = 0.0024752 k( 254) = ( 0.5000000 0.2897318 0.2200879), wk = 0.0024752 k( 255) = ( 0.5000000 0.3008753 0.2200879), wk = 0.0024752 k( 256) = ( 0.5000000 0.3120189 0.2200879), wk = 0.0024752 k( 257) = ( 0.5000000 0.3231624 0.2200879), wk = 0.0024752 k( 258) = ( 0.5000000 0.3343059 0.2200879), wk = 0.0024752 k( 259) = ( 0.5000000 0.3454495 0.2200879), wk = 0.0024752 k( 260) = ( 0.5000000 0.3565930 0.2200879), wk = 0.0024752 k( 261) = ( 0.5000000 0.3677365 0.2200879), wk = 0.0024752 k( 262) = ( 0.5000000 0.3677365 0.2200879), wk = 0.0024752 k( 263) = ( 0.4888889 0.3677365 0.2200879), wk = 0.0024752 k( 264) = ( 0.4777778 0.3677365 0.2200879), wk = 0.0024752 k( 265) = ( 0.4666667 0.3677365 0.2200879), wk = 0.0024752 k( 266) = ( 0.4555556 0.3677365 0.2200879), wk = 0.0024752 k( 267) = ( 0.4444444 0.3677365 0.2200879), wk = 0.0024752 k( 268) = ( 0.4333333 0.3677365 0.2200879), wk = 0.0024752 k( 269) = ( 0.4222222 0.3677365 0.2200879), wk = 0.0024752 k( 270) = ( 0.4111111 0.3677365 0.2200879), wk = 0.0024752 k( 271) = ( 0.4000000 0.3677365 0.2200879), wk = 0.0024752 k( 272) = ( 0.3888889 0.3677365 0.2200879), wk = 0.0024752 k( 273) = ( 0.3777778 0.3677365 0.2200879), wk = 0.0024752 k( 274) = ( 0.3666667 0.3677365 0.2200879), wk = 0.0024752 k( 275) = ( 0.3555556 0.3677365 0.2200879), wk = 0.0024752 k( 276) = ( 0.3444444 0.3677365 0.2200879), wk = 0.0024752 k( 277) = ( 0.3333333 0.3677365 0.2200879), wk = 0.0024752 k( 278) = ( 0.3222222 0.3677365 0.2200879), wk = 0.0024752 k( 279) = ( 0.3111111 0.3677365 0.2200879), wk = 0.0024752 k( 280) = ( 0.3000000 0.3677365 0.2200879), wk = 0.0024752 k( 281) = ( 0.2888889 0.3677365 0.2200879), wk = 0.0024752 k( 282) = ( 0.2777778 0.3677365 0.2200879), wk = 0.0024752 k( 283) = ( 0.2666667 0.3677365 0.2200879), wk = 0.0024752 k( 284) = ( 0.2555556 0.3677365 0.2200879), wk = 0.0024752 k( 285) = ( 0.2444444 0.3677365 0.2200879), wk = 0.0024752 k( 286) = ( 0.2333333 0.3677365 0.2200879), wk = 0.0024752 k( 287) = ( 0.2222222 0.3677365 0.2200879), wk = 0.0024752 k( 288) = ( 0.2111111 0.3677365 0.2200879), wk = 0.0024752 k( 289) = ( 0.2000000 0.3677365 0.2200879), wk = 0.0024752 k( 290) = ( 0.1888889 0.3677365 0.2200879), wk = 0.0024752 k( 291) = ( 0.1777778 0.3677365 0.2200879), wk = 0.0024752 k( 292) = ( 0.1666667 0.3677365 0.2200879), wk = 0.0024752 k( 293) = ( 0.1555556 0.3677365 0.2200879), wk = 0.0024752 k( 294) = ( 0.1444444 0.3677365 0.2200879), wk = 0.0024752 k( 295) = ( 0.1333333 0.3677365 0.2200879), wk = 0.0024752 k( 296) = ( 0.1222222 0.3677365 0.2200879), wk = 0.0024752 k( 297) = ( 0.1111111 0.3677365 0.2200879), wk = 0.0024752 k( 298) = ( 0.1000000 0.3677365 0.2200879), wk = 0.0024752 k( 299) = ( 0.0888889 0.3677365 0.2200879), wk = 0.0024752 k( 300) = ( 0.0777778 0.3677365 0.2200879), wk = 0.0024752 k( 301) = ( 0.0666667 0.3677365 0.2200879), wk = 0.0024752 k( 302) = ( 0.0555556 0.3677365 0.2200879), wk = 0.0024752 k( 303) = ( 0.0444444 0.3677365 0.2200879), wk = 0.0024752 k( 304) = ( 0.0333333 0.3677365 0.2200879), wk = 0.0024752 k( 305) = ( 0.0222222 0.3677365 0.2200879), wk = 0.0024752 k( 306) = ( 0.0111111 0.3677365 0.2200879), wk = 0.0024752 k( 307) = ( 0.0000000 0.3677365 0.2200879), wk = 0.0024752 k( 308) = ( 0.0000000 0.3677365 0.2200879), wk = 0.0024752 k( 309) = ( 0.0000000 0.3565930 0.2200879), wk = 0.0024752 k( 310) = ( 0.0000000 0.3454495 0.2200879), wk = 0.0024752 k( 311) = ( 0.0000000 0.3343059 0.2200879), wk = 0.0024752 k( 312) = ( 0.0000000 0.3231624 0.2200879), wk = 0.0024752 k( 313) = ( 0.0000000 0.3120189 0.2200879), wk = 0.0024752 k( 314) = ( 0.0000000 0.3008753 0.2200879), wk = 0.0024752 k( 315) = ( 0.0000000 0.2897318 0.2200879), wk = 0.0024752 k( 316) = ( 0.0000000 0.2785883 0.2200879), wk = 0.0024752 k( 317) = ( 0.0000000 0.2674447 0.2200879), wk = 0.0024752 k( 318) = ( 0.0000000 0.2563012 0.2200879), wk = 0.0024752 k( 319) = ( 0.0000000 0.2451577 0.2200879), wk = 0.0024752 k( 320) = ( 0.0000000 0.2340142 0.2200879), wk = 0.0024752 k( 321) = ( 0.0000000 0.2228706 0.2200879), wk = 0.0024752 k( 322) = ( 0.0000000 0.2117271 0.2200879), wk = 0.0024752 k( 323) = ( 0.0000000 0.2005836 0.2200879), wk = 0.0024752 k( 324) = ( 0.0000000 0.1894400 0.2200879), wk = 0.0024752 k( 325) = ( 0.0000000 0.1782965 0.2200879), wk = 0.0024752 k( 326) = ( 0.0000000 0.1671530 0.2200879), wk = 0.0024752 k( 327) = ( 0.0000000 0.1560094 0.2200879), wk = 0.0024752 k( 328) = ( 0.0000000 0.1448659 0.2200879), wk = 0.0024752 k( 329) = ( 0.0000000 0.1337224 0.2200879), wk = 0.0024752 k( 330) = ( 0.0000000 0.1225788 0.2200879), wk = 0.0024752 k( 331) = ( 0.0000000 0.1114353 0.2200879), wk = 0.0024752 k( 332) = ( 0.0000000 0.1002918 0.2200879), wk = 0.0024752 k( 333) = ( 0.0000000 0.0891482 0.2200879), wk = 0.0024752 k( 334) = ( 0.0000000 0.0780047 0.2200879), wk = 0.0024752 k( 335) = ( 0.0000000 0.0668612 0.2200879), wk = 0.0024752 k( 336) = ( 0.0000000 0.0557177 0.2200879), wk = 0.0024752 k( 337) = ( 0.0000000 0.0445741 0.2200879), wk = 0.0024752 k( 338) = ( 0.0000000 0.0334306 0.2200879), wk = 0.0024752 k( 339) = ( 0.0000000 0.0222871 0.2200879), wk = 0.0024752 k( 340) = ( 0.0000000 0.0111435 0.2200879), wk = 0.0024752 k( 341) = ( 0.0000000 0.0000000 0.2200879), wk = 0.0024752 k( 342) = ( 0.0000000 0.3677365 -0.0000000), wk = 0.0024752 k( 343) = ( 0.0000000 0.3677365 0.0110044), wk = 0.0024752 k( 344) = ( 0.0000000 0.3677365 0.0220088), wk = 0.0024752 k( 345) = ( 0.0000000 0.3677365 0.0330132), wk = 0.0024752 k( 346) = ( 0.0000000 0.3677365 0.0440176), wk = 0.0024752 k( 347) = ( 0.0000000 0.3677365 0.0550220), wk = 0.0024752 k( 348) = ( 0.0000000 0.3677365 0.0660264), wk = 0.0024752 k( 349) = ( 0.0000000 0.3677365 0.0770308), wk = 0.0024752 k( 350) = ( 0.0000000 0.3677365 0.0880352), wk = 0.0024752 k( 351) = ( 0.0000000 0.3677365 0.0990395), wk = 0.0024752 k( 352) = ( 0.0000000 0.3677365 0.1100439), wk = 0.0024752 k( 353) = ( 0.0000000 0.3677365 0.1210483), wk = 0.0024752 k( 354) = ( 0.0000000 0.3677365 0.1320527), wk = 0.0024752 k( 355) = ( 0.0000000 0.3677365 0.1430571), wk = 0.0024752 k( 356) = ( 0.0000000 0.3677365 0.1540615), wk = 0.0024752 k( 357) = ( 0.0000000 0.3677365 0.1650659), wk = 0.0024752 k( 358) = ( 0.0000000 0.3677365 0.1760703), wk = 0.0024752 k( 359) = ( 0.0000000 0.3677365 0.1870747), wk = 0.0024752 k( 360) = ( 0.0000000 0.3677365 0.1980791), wk = 0.0024752 k( 361) = ( 0.0000000 0.3677365 0.2090835), wk = 0.0024752 k( 362) = ( 0.0000000 0.3677365 0.2200879), wk = 0.0024752 k( 363) = ( 0.5000000 -0.0000000 0.2200879), wk = 0.0024752 k( 364) = ( 0.5000000 -0.0000000 0.2090835), wk = 0.0024752 k( 365) = ( 0.5000000 -0.0000000 0.1980791), wk = 0.0024752 k( 366) = ( 0.5000000 -0.0000000 0.1870747), wk = 0.0024752 k( 367) = ( 0.5000000 -0.0000000 0.1760703), wk = 0.0024752 k( 368) = ( 0.5000000 -0.0000000 0.1650659), wk = 0.0024752 k( 369) = ( 0.5000000 -0.0000000 0.1540615), wk = 0.0024752 k( 370) = ( 0.5000000 -0.0000000 0.1430571), wk = 0.0024752 k( 371) = ( 0.5000000 -0.0000000 0.1320527), wk = 0.0024752 k( 372) = ( 0.5000000 -0.0000000 0.1210483), wk = 0.0024752 k( 373) = ( 0.5000000 -0.0000000 0.1100439), wk = 0.0024752 k( 374) = ( 0.5000000 -0.0000000 0.0990395), wk = 0.0024752 k( 375) = ( 0.5000000 -0.0000000 0.0880352), wk = 0.0024752 k( 376) = ( 0.5000000 -0.0000000 0.0770308), wk = 0.0024752 k( 377) = ( 0.5000000 -0.0000000 0.0660264), wk = 0.0024752 k( 378) = ( 0.5000000 -0.0000000 0.0550220), wk = 0.0024752 k( 379) = ( 0.5000000 -0.0000000 0.0440176), wk = 0.0024752 k( 380) = ( 0.5000000 -0.0000000 0.0330132), wk = 0.0024752 k( 381) = ( 0.5000000 -0.0000000 0.0220088), wk = 0.0024752 k( 382) = ( 0.5000000 -0.0000000 0.0110044), wk = 0.0024752 k( 383) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0024752 k( 384) = ( 0.5000000 0.3677365 -0.0000000), wk = 0.0024752 k( 385) = ( 0.5000000 0.3677365 0.0110044), wk = 0.0024752 k( 386) = ( 0.5000000 0.3677365 0.0220088), wk = 0.0024752 k( 387) = ( 0.5000000 0.3677365 0.0330132), wk = 0.0024752 k( 388) = ( 0.5000000 0.3677365 0.0440176), wk = 0.0024752 k( 389) = ( 0.5000000 0.3677365 0.0550220), wk = 0.0024752 k( 390) = ( 0.5000000 0.3677365 0.0660264), wk = 0.0024752 k( 391) = ( 0.5000000 0.3677365 0.0770308), wk = 0.0024752 k( 392) = ( 0.5000000 0.3677365 0.0880352), wk = 0.0024752 k( 393) = ( 0.5000000 0.3677365 0.0990395), wk = 0.0024752 k( 394) = ( 0.5000000 0.3677365 0.1100439), wk = 0.0024752 k( 395) = ( 0.5000000 0.3677365 0.1210483), wk = 0.0024752 k( 396) = ( 0.5000000 0.3677365 0.1320527), wk = 0.0024752 k( 397) = ( 0.5000000 0.3677365 0.1430571), wk = 0.0024752 k( 398) = ( 0.5000000 0.3677365 0.1540615), wk = 0.0024752 k( 399) = ( 0.5000000 0.3677365 0.1650659), wk = 0.0024752 k( 400) = ( 0.5000000 0.3677365 0.1760703), wk = 0.0024752 k( 401) = ( 0.5000000 0.3677365 0.1870747), wk = 0.0024752 k( 402) = ( 0.5000000 0.3677365 0.1980791), wk = 0.0024752 k( 403) = ( 0.5000000 0.3677365 0.2090835), wk = 0.0024752 k( 404) = ( 0.5000000 0.3677365 0.2200879), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0111111 -0.0000000 0.0000000), wk = 0.0024752 k( 3) = ( 0.0222222 -0.0000000 0.0000000), wk = 0.0024752 k( 4) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0024752 k( 5) = ( 0.0444444 -0.0000000 0.0000000), wk = 0.0024752 k( 6) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0024752 k( 7) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0024752 k( 8) = ( 0.0777778 -0.0000000 0.0000000), wk = 0.0024752 k( 9) = ( 0.0888889 -0.0000000 0.0000000), wk = 0.0024752 k( 10) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0024752 k( 11) = ( 0.1111111 0.0000000 0.0000000), wk = 0.0024752 k( 12) = ( 0.1222222 0.0000000 -0.0000000), wk = 0.0024752 k( 13) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0024752 k( 14) = ( 0.1444444 -0.0000000 0.0000000), wk = 0.0024752 k( 15) = ( 0.1555556 -0.0000000 0.0000000), wk = 0.0024752 k( 16) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0024752 k( 17) = ( 0.1777778 -0.0000000 0.0000000), wk = 0.0024752 k( 18) = ( 0.1888889 0.0000000 0.0000000), wk = 0.0024752 k( 19) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0024752 k( 20) = ( 0.2111111 0.0000000 0.0000000), wk = 0.0024752 k( 21) = ( 0.2222222 0.0000000 0.0000000), wk = 0.0024752 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0024752 k( 23) = ( 0.2444444 0.0000000 -0.0000000), wk = 0.0024752 k( 24) = ( 0.2555556 0.0000000 0.0000000), wk = 0.0024752 k( 25) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0024752 k( 26) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0024752 k( 27) = ( 0.2888889 0.0000000 0.0000000), wk = 0.0024752 k( 28) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0024752 k( 29) = ( 0.3111111 -0.0000000 0.0000000), wk = 0.0024752 k( 30) = ( 0.3222222 -0.0000000 0.0000000), wk = 0.0024752 k( 31) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0024752 k( 32) = ( 0.3444444 0.0000000 0.0000000), wk = 0.0024752 k( 33) = ( 0.3555556 -0.0000000 0.0000000), wk = 0.0024752 k( 34) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0024752 k( 35) = ( 0.3777778 0.0000000 0.0000000), wk = 0.0024752 k( 36) = ( 0.3888889 0.0000000 0.0000000), wk = 0.0024752 k( 37) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0024752 k( 38) = ( 0.4111111 0.0000000 0.0000000), wk = 0.0024752 k( 39) = ( 0.4222222 0.0000000 0.0000000), wk = 0.0024752 k( 40) = ( 0.4333333 -0.0000000 0.0000000), wk = 0.0024752 k( 41) = ( 0.4444444 0.0000000 0.0000000), wk = 0.0024752 k( 42) = ( 0.4555556 -0.0000000 0.0000000), wk = 0.0024752 k( 43) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0024752 k( 44) = ( 0.4777778 -0.0000000 0.0000000), wk = 0.0024752 k( 45) = ( 0.4888889 0.0000000 0.0000000), wk = 0.0024752 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024752 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024752 k( 48) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0024752 k( 49) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0024752 k( 50) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0024752 k( 51) = ( 0.5000000 0.0606061 0.0000000), wk = 0.0024752 k( 52) = ( 0.5000000 0.0757576 0.0000000), wk = 0.0024752 k( 53) = ( 0.5000000 0.0909091 0.0000000), wk = 0.0024752 k( 54) = ( 0.5000000 0.1060606 0.0000000), wk = 0.0024752 k( 55) = ( 0.5000000 0.1212121 0.0000000), wk = 0.0024752 k( 56) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0024752 k( 57) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0024752 k( 58) = ( 0.5000000 0.1666667 0.0000000), wk = 0.0024752 k( 59) = ( 0.5000000 0.1818182 0.0000000), wk = 0.0024752 k( 60) = ( 0.5000000 0.1969697 0.0000000), wk = 0.0024752 k( 61) = ( 0.5000000 0.2121212 0.0000000), wk = 0.0024752 k( 62) = ( 0.5000000 0.2272727 0.0000000), wk = 0.0024752 k( 63) = ( 0.5000000 0.2424242 -0.0000000), wk = 0.0024752 k( 64) = ( 0.5000000 0.2575758 0.0000000), wk = 0.0024752 k( 65) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0024752 k( 66) = ( 0.5000000 0.2878788 0.0000000), wk = 0.0024752 k( 67) = ( 0.5000000 0.3030303 0.0000000), wk = 0.0024752 k( 68) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0024752 k( 69) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0024752 k( 70) = ( 0.5000000 0.3484849 0.0000000), wk = 0.0024752 k( 71) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0024752 k( 72) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0024752 k( 73) = ( 0.5000000 0.3939394 0.0000000), wk = 0.0024752 k( 74) = ( 0.5000000 0.4090909 -0.0000000), wk = 0.0024752 k( 75) = ( 0.5000000 0.4242424 0.0000000), wk = 0.0024752 k( 76) = ( 0.5000000 0.4393939 0.0000000), wk = 0.0024752 k( 77) = ( 0.5000000 0.4545454 0.0000000), wk = 0.0024752 k( 78) = ( 0.5000000 0.4696970 0.0000000), wk = 0.0024752 k( 79) = ( 0.5000000 0.4848485 0.0000000), wk = 0.0024752 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 81) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 82) = ( 0.4888889 0.5000000 0.0000000), wk = 0.0024752 k( 83) = ( 0.4777778 0.5000000 0.0000000), wk = 0.0024752 k( 84) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0024752 k( 85) = ( 0.4555556 0.5000000 0.0000000), wk = 0.0024752 k( 86) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0024752 k( 87) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0024752 k( 88) = ( 0.4222222 0.5000000 0.0000000), wk = 0.0024752 k( 89) = ( 0.4111111 0.5000000 0.0000000), wk = 0.0024752 k( 90) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0024752 k( 91) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0024752 k( 92) = ( 0.3777778 0.5000000 0.0000000), wk = 0.0024752 k( 93) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0024752 k( 94) = ( 0.3555556 0.5000000 0.0000000), wk = 0.0024752 k( 95) = ( 0.3444444 0.5000000 0.0000000), wk = 0.0024752 k( 96) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0024752 k( 97) = ( 0.3222222 0.5000000 0.0000000), wk = 0.0024752 k( 98) = ( 0.3111111 0.5000000 -0.0000000), wk = 0.0024752 k( 99) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0024752 k( 100) = ( 0.2888889 0.5000000 0.0000000), wk = 0.0024752 k( 101) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0024752 k( 102) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0024752 k( 103) = ( 0.2555556 0.5000000 0.0000000), wk = 0.0024752 k( 104) = ( 0.2444444 0.5000000 0.0000000), wk = 0.0024752 k( 105) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0024752 k( 106) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0024752 k( 107) = ( 0.2111111 0.5000000 0.0000000), wk = 0.0024752 k( 108) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0024752 k( 109) = ( 0.1888889 0.5000000 0.0000000), wk = 0.0024752 k( 110) = ( 0.1777778 0.5000000 0.0000000), wk = 0.0024752 k( 111) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0024752 k( 112) = ( 0.1555556 0.5000000 0.0000000), wk = 0.0024752 k( 113) = ( 0.1444444 0.5000000 0.0000000), wk = 0.0024752 k( 114) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0024752 k( 115) = ( 0.1222222 0.5000000 0.0000000), wk = 0.0024752 k( 116) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0024752 k( 117) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0024752 k( 118) = ( 0.0888889 0.5000000 0.0000000), wk = 0.0024752 k( 119) = ( 0.0777778 0.5000000 0.0000000), wk = 0.0024752 k( 120) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0024752 k( 121) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0024752 k( 122) = ( 0.0444444 0.5000000 0.0000000), wk = 0.0024752 k( 123) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0024752 k( 124) = ( 0.0222222 0.5000000 0.0000000), wk = 0.0024752 k( 125) = ( 0.0111111 0.5000000 0.0000000), wk = 0.0024752 k( 126) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 127) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 128) = ( 0.0000000 0.4848485 0.0000000), wk = 0.0024752 k( 129) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0024752 k( 130) = ( 0.0000000 0.4545455 0.0000000), wk = 0.0024752 k( 131) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0024752 k( 132) = ( 0.0000000 0.4242424 0.0000000), wk = 0.0024752 k( 133) = ( 0.0000000 0.4090909 0.0000000), wk = 0.0024752 k( 134) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0024752 k( 135) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0024752 k( 136) = ( 0.0000000 0.3636364 0.0000000), wk = 0.0024752 k( 137) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0024752 k( 138) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0024752 k( 139) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0024752 k( 140) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0024752 k( 141) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0024752 k( 142) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0024752 k( 143) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0024752 k( 144) = ( 0.0000000 0.2424242 0.0000000), wk = 0.0024752 k( 145) = ( 0.0000000 0.2272727 0.0000000), wk = 0.0024752 k( 146) = ( 0.0000000 0.2121212 0.0000000), wk = 0.0024752 k( 147) = ( 0.0000000 0.1969697 0.0000000), wk = 0.0024752 k( 148) = ( 0.0000000 0.1818182 0.0000000), wk = 0.0024752 k( 149) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0024752 k( 150) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0024752 k( 151) = ( 0.0000000 0.1363636 0.0000000), wk = 0.0024752 k( 152) = ( 0.0000000 0.1212121 0.0000000), wk = 0.0024752 k( 153) = ( 0.0000000 0.1060606 -0.0000000), wk = 0.0024752 k( 154) = ( 0.0000000 0.0909091 0.0000000), wk = 0.0024752 k( 155) = ( 0.0000000 0.0757576 0.0000000), wk = 0.0024752 k( 156) = ( 0.0000000 0.0606061 0.0000000), wk = 0.0024752 k( 157) = ( 0.0000000 0.0454546 0.0000000), wk = 0.0024752 k( 158) = ( 0.0000000 0.0303030 0.0000000), wk = 0.0024752 k( 159) = ( 0.0000000 0.0151515 -0.0000000), wk = 0.0024752 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 161) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 162) = ( 0.0000000 0.0000000 0.0250000), wk = 0.0024752 k( 163) = ( 0.0000000 0.0000000 0.0500000), wk = 0.0024752 k( 164) = ( 0.0000000 0.0000000 0.0750000), wk = 0.0024752 k( 165) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0024752 k( 166) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0024752 k( 167) = ( 0.0000000 0.0000000 0.1500000), wk = 0.0024752 k( 168) = ( 0.0000000 0.0000000 0.1750000), wk = 0.0024752 k( 169) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0024752 k( 170) = ( 0.0000000 0.0000000 0.2250000), wk = 0.0024752 k( 171) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024752 k( 172) = ( 0.0000000 0.0000000 0.2750000), wk = 0.0024752 k( 173) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0024752 k( 174) = ( 0.0000000 0.0000000 0.3250000), wk = 0.0024752 k( 175) = ( 0.0000000 0.0000000 0.3500000), wk = 0.0024752 k( 176) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0024752 k( 177) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0024752 k( 178) = ( 0.0000000 0.0000000 0.4250000), wk = 0.0024752 k( 179) = ( 0.0000000 0.0000000 0.4500000), wk = 0.0024752 k( 180) = ( 0.0000000 0.0000000 0.4750000), wk = 0.0024752 k( 181) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 182) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 183) = ( 0.0111111 -0.0000000 0.5000000), wk = 0.0024752 k( 184) = ( 0.0222222 -0.0000000 0.5000000), wk = 0.0024752 k( 185) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0024752 k( 186) = ( 0.0444444 -0.0000000 0.5000000), wk = 0.0024752 k( 187) = ( 0.0555556 0.0000000 0.5000000), wk = 0.0024752 k( 188) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0024752 k( 189) = ( 0.0777778 -0.0000000 0.5000000), wk = 0.0024752 k( 190) = ( 0.0888889 -0.0000000 0.5000000), wk = 0.0024752 k( 191) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0024752 k( 192) = ( 0.1111111 0.0000000 0.5000000), wk = 0.0024752 k( 193) = ( 0.1222222 0.0000000 0.5000000), wk = 0.0024752 k( 194) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0024752 k( 195) = ( 0.1444444 -0.0000000 0.5000000), wk = 0.0024752 k( 196) = ( 0.1555556 -0.0000000 0.5000000), wk = 0.0024752 k( 197) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0024752 k( 198) = ( 0.1777778 -0.0000000 0.5000000), wk = 0.0024752 k( 199) = ( 0.1888889 0.0000000 0.5000000), wk = 0.0024752 k( 200) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0024752 k( 201) = ( 0.2111111 0.0000000 0.5000000), wk = 0.0024752 k( 202) = ( 0.2222222 0.0000000 0.5000000), wk = 0.0024752 k( 203) = ( 0.2333333 -0.0000000 0.5000000), wk = 0.0024752 k( 204) = ( 0.2444444 0.0000000 0.5000000), wk = 0.0024752 k( 205) = ( 0.2555556 0.0000000 0.5000000), wk = 0.0024752 k( 206) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0024752 k( 207) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0024752 k( 208) = ( 0.2888889 0.0000000 0.5000000), wk = 0.0024752 k( 209) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0024752 k( 210) = ( 0.3111111 -0.0000000 0.5000000), wk = 0.0024752 k( 211) = ( 0.3222222 -0.0000000 0.5000000), wk = 0.0024752 k( 212) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0024752 k( 213) = ( 0.3444444 0.0000000 0.5000000), wk = 0.0024752 k( 214) = ( 0.3555556 -0.0000000 0.5000000), wk = 0.0024752 k( 215) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0024752 k( 216) = ( 0.3777778 0.0000000 0.5000000), wk = 0.0024752 k( 217) = ( 0.3888889 0.0000000 0.5000000), wk = 0.0024752 k( 218) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0024752 k( 219) = ( 0.4111111 0.0000000 0.5000000), wk = 0.0024752 k( 220) = ( 0.4222222 0.0000000 0.5000000), wk = 0.0024752 k( 221) = ( 0.4333333 -0.0000000 0.5000000), wk = 0.0024752 k( 222) = ( 0.4444444 0.0000000 0.5000000), wk = 0.0024752 k( 223) = ( 0.4555556 -0.0000000 0.5000000), wk = 0.0024752 k( 224) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0024752 k( 225) = ( 0.4777778 -0.0000000 0.5000000), wk = 0.0024752 k( 226) = ( 0.4888889 0.0000000 0.5000000), wk = 0.0024752 k( 227) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024752 k( 228) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024752 k( 229) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0024752 k( 230) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0024752 k( 231) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0024752 k( 232) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0024752 k( 233) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0024752 k( 234) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0024752 k( 235) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0024752 k( 236) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0024752 k( 237) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0024752 k( 238) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0024752 k( 239) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0024752 k( 240) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0024752 k( 241) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0024752 k( 242) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0024752 k( 243) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0024752 k( 244) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0024752 k( 245) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0024752 k( 246) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0024752 k( 247) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0024752 k( 248) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0024752 k( 249) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0024752 k( 250) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0024752 k( 251) = ( 0.5000000 0.3484849 0.5000000), wk = 0.0024752 k( 252) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0024752 k( 253) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0024752 k( 254) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0024752 k( 255) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0024752 k( 256) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0024752 k( 257) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0024752 k( 258) = ( 0.5000000 0.4545454 0.5000000), wk = 0.0024752 k( 259) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0024752 k( 260) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0024752 k( 261) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 262) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 263) = ( 0.4888889 0.5000000 0.5000000), wk = 0.0024752 k( 264) = ( 0.4777778 0.5000000 0.5000000), wk = 0.0024752 k( 265) = ( 0.4666667 0.5000000 0.5000000), wk = 0.0024752 k( 266) = ( 0.4555556 0.5000000 0.5000000), wk = 0.0024752 k( 267) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0024752 k( 268) = ( 0.4333333 0.5000000 0.5000000), wk = 0.0024752 k( 269) = ( 0.4222222 0.5000000 0.5000000), wk = 0.0024752 k( 270) = ( 0.4111111 0.5000000 0.5000000), wk = 0.0024752 k( 271) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0024752 k( 272) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0024752 k( 273) = ( 0.3777778 0.5000000 0.5000000), wk = 0.0024752 k( 274) = ( 0.3666667 0.5000000 0.5000000), wk = 0.0024752 k( 275) = ( 0.3555556 0.5000000 0.5000000), wk = 0.0024752 k( 276) = ( 0.3444444 0.5000000 0.5000000), wk = 0.0024752 k( 277) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0024752 k( 278) = ( 0.3222222 0.5000000 0.5000000), wk = 0.0024752 k( 279) = ( 0.3111111 0.5000000 0.5000000), wk = 0.0024752 k( 280) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0024752 k( 281) = ( 0.2888889 0.5000000 0.5000000), wk = 0.0024752 k( 282) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0024752 k( 283) = ( 0.2666667 0.5000000 0.5000000), wk = 0.0024752 k( 284) = ( 0.2555556 0.5000000 0.5000000), wk = 0.0024752 k( 285) = ( 0.2444444 0.5000000 0.5000000), wk = 0.0024752 k( 286) = ( 0.2333333 0.5000000 0.5000000), wk = 0.0024752 k( 287) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0024752 k( 288) = ( 0.2111111 0.5000000 0.5000000), wk = 0.0024752 k( 289) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0024752 k( 290) = ( 0.1888889 0.5000000 0.5000000), wk = 0.0024752 k( 291) = ( 0.1777778 0.5000000 0.5000000), wk = 0.0024752 k( 292) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0024752 k( 293) = ( 0.1555556 0.5000000 0.5000000), wk = 0.0024752 k( 294) = ( 0.1444444 0.5000000 0.5000000), wk = 0.0024752 k( 295) = ( 0.1333333 0.5000000 0.5000000), wk = 0.0024752 k( 296) = ( 0.1222222 0.5000000 0.5000000), wk = 0.0024752 k( 297) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0024752 k( 298) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0024752 k( 299) = ( 0.0888889 0.5000000 0.5000000), wk = 0.0024752 k( 300) = ( 0.0777778 0.5000000 0.5000000), wk = 0.0024752 k( 301) = ( 0.0666667 0.5000000 0.5000000), wk = 0.0024752 k( 302) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0024752 k( 303) = ( 0.0444444 0.5000000 0.5000000), wk = 0.0024752 k( 304) = ( 0.0333333 0.5000000 0.5000000), wk = 0.0024752 k( 305) = ( 0.0222222 0.5000000 0.5000000), wk = 0.0024752 k( 306) = ( 0.0111111 0.5000000 0.5000000), wk = 0.0024752 k( 307) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 308) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 309) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0024752 k( 310) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0024752 k( 311) = ( 0.0000000 0.4545455 0.5000000), wk = 0.0024752 k( 312) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0024752 k( 313) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0024752 k( 314) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0024752 k( 315) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0024752 k( 316) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0024752 k( 317) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0024752 k( 318) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0024752 k( 319) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0024752 k( 320) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0024752 k( 321) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0024752 k( 322) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0024752 k( 323) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0024752 k( 324) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0024752 k( 325) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0024752 k( 326) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0024752 k( 327) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0024752 k( 328) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0024752 k( 329) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0024752 k( 330) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0024752 k( 331) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0024752 k( 332) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0024752 k( 333) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0024752 k( 334) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0024752 k( 335) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0024752 k( 336) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0024752 k( 337) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0024752 k( 338) = ( 0.0000000 0.0454546 0.5000000), wk = 0.0024752 k( 339) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0024752 k( 340) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0024752 k( 341) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 342) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 343) = ( 0.0000000 0.5000000 0.0250000), wk = 0.0024752 k( 344) = ( 0.0000000 0.5000000 0.0500000), wk = 0.0024752 k( 345) = ( 0.0000000 0.5000000 0.0750000), wk = 0.0024752 k( 346) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0024752 k( 347) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0024752 k( 348) = ( 0.0000000 0.5000000 0.1500000), wk = 0.0024752 k( 349) = ( 0.0000000 0.5000000 0.1750000), wk = 0.0024752 k( 350) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0024752 k( 351) = ( 0.0000000 0.5000000 0.2250000), wk = 0.0024752 k( 352) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024752 k( 353) = ( 0.0000000 0.5000000 0.2750000), wk = 0.0024752 k( 354) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0024752 k( 355) = ( 0.0000000 0.5000000 0.3250000), wk = 0.0024752 k( 356) = ( 0.0000000 0.5000000 0.3500000), wk = 0.0024752 k( 357) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0024752 k( 358) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0024752 k( 359) = ( 0.0000000 0.5000000 0.4250000), wk = 0.0024752 k( 360) = ( 0.0000000 0.5000000 0.4500000), wk = 0.0024752 k( 361) = ( 0.0000000 0.5000000 0.4750000), wk = 0.0024752 k( 362) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 363) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0024752 k( 364) = ( 0.5000000 0.0000000 0.4750000), wk = 0.0024752 k( 365) = ( 0.5000000 0.0000000 0.4500000), wk = 0.0024752 k( 366) = ( 0.5000000 0.0000000 0.4250000), wk = 0.0024752 k( 367) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0024752 k( 368) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0024752 k( 369) = ( 0.5000000 0.0000000 0.3500000), wk = 0.0024752 k( 370) = ( 0.5000000 0.0000000 0.3250000), wk = 0.0024752 k( 371) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0024752 k( 372) = ( 0.5000000 0.0000000 0.2750000), wk = 0.0024752 k( 373) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0024752 k( 374) = ( 0.5000000 0.0000000 0.2250000), wk = 0.0024752 k( 375) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0024752 k( 376) = ( 0.5000000 0.0000000 0.1750000), wk = 0.0024752 k( 377) = ( 0.5000000 0.0000000 0.1500000), wk = 0.0024752 k( 378) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0024752 k( 379) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0024752 k( 380) = ( 0.5000000 0.0000000 0.0750000), wk = 0.0024752 k( 381) = ( 0.5000000 0.0000000 0.0500000), wk = 0.0024752 k( 382) = ( 0.5000000 0.0000000 0.0250000), wk = 0.0024752 k( 383) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0024752 k( 384) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 385) = ( 0.5000000 0.5000000 0.0250000), wk = 0.0024752 k( 386) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0024752 k( 387) = ( 0.5000000 0.5000000 0.0750000), wk = 0.0024752 k( 388) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0024752 k( 389) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0024752 k( 390) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0024752 k( 391) = ( 0.5000000 0.5000000 0.1750000), wk = 0.0024752 k( 392) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0024752 k( 393) = ( 0.5000000 0.5000000 0.2250000), wk = 0.0024752 k( 394) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0024752 k( 395) = ( 0.5000000 0.5000000 0.2750000), wk = 0.0024752 k( 396) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0024752 k( 397) = ( 0.5000000 0.5000000 0.3250000), wk = 0.0024752 k( 398) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0024752 k( 399) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0024752 k( 400) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0024752 k( 401) = ( 0.5000000 0.5000000 0.4250000), wk = 0.0024752 k( 402) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0024752 k( 403) = ( 0.5000000 0.5000000 0.4750000), wk = 0.0024752 k( 404) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0024752 Dense grid: 86867 G-vectors FFT dimensions: ( 40, 54, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.62 Mb ( 634, 64) NL pseudopotentials 0.79 Mb ( 317, 164) Each V/rho on FFT grid 0.10 Mb ( 6480) Each G-vector array 0.02 Mb ( 2414) G-vector shells 0.01 Mb ( 1228) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.48 Mb ( 634, 256) Each subspace H/S matrix 0.06 Mb ( 64, 64) Each matrix 0.32 Mb ( 164, 2, 64) The potential is recalculated from file : ./CrSBr.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.5 secs Computing kpt #: 4 total cpu time spent up to now is 6.4 secs Computing kpt #: 5 total cpu time spent up to now is 7.2 secs Computing kpt #: 6 total cpu time spent up to now is 8.1 secs Computing kpt #: 7 total cpu time spent up to now is 9.0 secs Computing kpt #: 8 total cpu time spent up to now is 9.8 secs Computing kpt #: 9 total cpu time spent up to now is 10.7 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.5 secs Computing kpt #: 12 total cpu time spent up to now is 13.4 secs Computing kpt #: 13 total cpu time spent up to now is 14.3 secs Computing kpt #: 14 total cpu time spent up to now is 15.2 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 17.0 secs Computing kpt #: 17 total cpu time spent up to now is 18.0 secs Computing kpt #: 18 total cpu time spent up to now is 18.9 secs Computing kpt #: 19 total cpu time spent up to now is 19.8 secs Computing kpt #: 20 total cpu time spent up to now is 20.7 secs Computing kpt #: 21 total cpu time spent up to now is 21.7 secs Computing kpt #: 22 total cpu time spent up to now is 22.6 secs Computing kpt #: 23 total cpu time spent up to now is 23.6 secs Computing kpt #: 24 total cpu time spent up to now is 24.5 secs Computing kpt #: 25 total cpu time spent up to now is 25.5 secs Computing kpt #: 26 total cpu time spent up to now is 26.5 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 total cpu time spent up to now is 28.4 secs Computing kpt #: 29 total cpu time spent up to now is 29.4 secs Computing kpt #: 30 total cpu time spent up to now is 30.3 secs Computing kpt #: 31 total cpu time spent up to now is 31.2 secs Computing kpt #: 32 total cpu time spent up to now is 32.4 secs Computing kpt #: 33 total cpu time spent up to now is 33.3 secs Computing kpt #: 34 total cpu time spent up to now is 34.3 secs Computing kpt #: 35 total cpu time spent up to now is 35.4 secs Computing kpt #: 36 total cpu time spent up to now is 36.5 secs Computing kpt #: 37 total cpu time spent up to now is 37.4 secs Computing kpt #: 38 total cpu time spent up to now is 38.4 secs Computing kpt #: 39 total cpu time spent up to now is 39.3 secs Computing kpt #: 40 total cpu time spent up to now is 40.4 secs Computing kpt #: 41 total cpu time spent up to now is 41.4 secs Computing kpt #: 42 total cpu time spent up to now is 42.5 secs Computing kpt #: 43 total cpu time spent up to now is 43.4 secs Computing kpt #: 44 total cpu time spent up to now is 44.4 secs Computing kpt #: 45 total cpu time spent up to now is 45.3 secs Computing kpt #: 46 total cpu time spent up to now is 46.3 secs Computing kpt #: 47 total cpu time spent up to now is 47.2 secs Computing kpt #: 48 total cpu time spent up to now is 48.3 secs Computing kpt #: 49 total cpu time spent up to now is 49.3 secs Computing kpt #: 50 total cpu time spent up to now is 50.4 secs Computing kpt #: 51 total cpu time spent up to now is 51.5 secs Computing kpt #: 52 total cpu time spent up to now is 52.7 secs Computing kpt #: 53 total cpu time spent up to now is 53.8 secs Computing kpt #: 54 total cpu time spent up to now is 54.9 secs Computing kpt #: 55 total cpu time spent up to now is 56.1 secs Computing kpt #: 56 total cpu time spent up to now is 57.2 secs Computing kpt #: 57 total cpu time spent up to now is 58.3 secs Computing kpt #: 58 total cpu time spent up to now is 59.5 secs Computing kpt #: 59 total cpu time spent up to now is 60.7 secs Computing kpt #: 60 total cpu time spent up to now is 61.8 secs Computing kpt #: 61 total cpu time spent up to now is 63.0 secs Computing kpt #: 62 total cpu time spent up to now is 64.1 secs Computing kpt #: 63 total cpu time spent up to now is 65.3 secs Computing kpt #: 64 total cpu time spent up to now is 66.5 secs Computing kpt #: 65 total cpu time spent up to now is 67.8 secs Computing kpt #: 66 total cpu time spent up to now is 69.1 secs Computing kpt #: 67 total cpu time spent up to now is 70.2 secs Computing kpt #: 68 total cpu time spent up to now is 71.2 secs Computing kpt #: 69 total cpu time spent up to now is 72.2 secs Computing kpt #: 70 total cpu time spent up to now is 73.2 secs Computing kpt #: 71 total cpu time spent up to now is 74.1 secs Computing kpt #: 72 total cpu time spent up to now is 75.1 secs Computing kpt #: 73 total cpu time spent up to now is 76.0 secs Computing kpt #: 74 total cpu time spent up to now is 76.9 secs Computing kpt #: 75 total cpu time spent up to now is 77.7 secs Computing kpt #: 76 total cpu time spent up to now is 78.6 secs Computing kpt #: 77 total cpu time spent up to now is 79.5 secs Computing kpt #: 78 total cpu time spent up to now is 80.4 secs Computing kpt #: 79 total cpu time spent up to now is 81.3 secs Computing kpt #: 80 total cpu time spent up to now is 82.1 secs Computing kpt #: 81 total cpu time spent up to now is 83.0 secs Computing kpt #: 82 total cpu time spent up to now is 83.8 secs Computing kpt #: 83 total cpu time spent up to now is 84.7 secs Computing kpt #: 84 total cpu time spent up to now is 85.6 secs Computing kpt #: 85 total cpu time spent up to now is 86.5 secs Computing kpt #: 86 total cpu time spent up to now is 87.3 secs Computing kpt #: 87 total cpu time spent up to now is 88.2 secs Computing kpt #: 88 total cpu time spent up to now is 89.1 secs Computing kpt #: 89 total cpu time spent up to now is 90.0 secs Computing kpt #: 90 total cpu time spent up to now is 90.9 secs Computing kpt #: 91 total cpu time spent up to now is 91.7 secs Computing kpt #: 92 total cpu time spent up to now is 92.6 secs Computing kpt #: 93 total cpu time spent up to now is 93.5 secs Computing kpt #: 94 total cpu time spent up to now is 94.4 secs Computing kpt #: 95 total cpu time spent up to now is 95.2 secs Computing kpt #: 96 total cpu time spent up to now is 96.1 secs Computing kpt #: 97 total cpu time spent up to now is 97.0 secs Computing kpt #: 98 total cpu time spent up to now is 97.8 secs Computing kpt #: 99 total cpu time spent up to now is 98.7 secs Computing kpt #: 100 total cpu time spent up to now is 99.6 secs Computing kpt #: 101 total cpu time spent up to now is 100.5 secs Computing kpt #: 102 total cpu time spent up to now is 101.4 secs Computing kpt #: 103 total cpu time spent up to now is 102.2 secs Computing kpt #: 104 total cpu time spent up to now is 103.1 secs Computing kpt #: 105 total cpu time spent up to now is 104.0 secs Computing kpt #: 106 total cpu time spent up to now is 104.9 secs Computing kpt #: 107 total cpu time spent up to now is 105.8 secs Computing kpt #: 108 total cpu time spent up to now is 106.7 secs Computing kpt #: 109 total cpu time spent up to now is 107.6 secs Computing kpt #: 110 total cpu time spent up to now is 108.5 secs Computing kpt #: 111 total cpu time spent up to now is 109.3 secs Computing kpt #: 112 total cpu time spent up to now is 110.2 secs Computing kpt #: 113 total cpu time spent up to now is 111.1 secs Computing kpt #: 114 total cpu time spent up to now is 112.0 secs Computing kpt #: 115 total cpu time spent up to now is 112.9 secs Computing kpt #: 116 total cpu time spent up to now is 113.8 secs Computing kpt #: 117 total cpu time spent up to now is 114.7 secs Computing kpt #: 118 total cpu time spent up to now is 115.6 secs Computing kpt #: 119 total cpu time spent up to now is 116.5 secs Computing kpt #: 120 total cpu time spent up to now is 117.5 secs Computing kpt #: 121 total cpu time spent up to now is 118.4 secs Computing kpt #: 122 total cpu time spent up to now is 119.3 secs Computing kpt #: 123 total cpu time spent up to now is 120.2 secs Computing kpt #: 124 total cpu time spent up to now is 121.1 secs Computing kpt #: 125 total cpu time spent up to now is 121.9 secs Computing kpt #: 126 total cpu time spent up to now is 122.8 secs Computing kpt #: 127 total cpu time spent up to now is 123.7 secs Computing kpt #: 128 total cpu time spent up to now is 124.6 secs Computing kpt #: 129 total cpu time spent up to now is 125.5 secs Computing kpt #: 130 total cpu time spent up to now is 126.4 secs Computing kpt #: 131 total cpu time spent up to now is 127.3 secs Computing kpt #: 132 total cpu time spent up to now is 128.2 secs Computing kpt #: 133 total cpu time spent up to now is 129.1 secs Computing kpt #: 134 total cpu time spent up to now is 130.0 secs Computing kpt #: 135 total cpu time spent up to now is 131.0 secs Computing kpt #: 136 total cpu time spent up to now is 132.0 secs Computing kpt #: 137 total cpu time spent up to now is 133.0 secs Computing kpt #: 138 total cpu time spent up to now is 134.1 secs Computing kpt #: 139 total cpu time spent up to now is 135.1 secs Computing kpt #: 140 total cpu time spent up to now is 136.0 secs Computing kpt #: 141 total cpu time spent up to now is 136.9 secs Computing kpt #: 142 total cpu time spent up to now is 137.8 secs Computing kpt #: 143 total cpu time spent up to now is 138.7 secs Computing kpt #: 144 total cpu time spent up to now is 139.6 secs Computing kpt #: 145 total cpu time spent up to now is 140.6 secs Computing kpt #: 146 total cpu time spent up to now is 141.5 secs Computing kpt #: 147 total cpu time spent up to now is 142.5 secs Computing kpt #: 148 total cpu time spent up to now is 143.4 secs Computing kpt #: 149 total cpu time spent up to now is 144.3 secs Computing kpt #: 150 total cpu time spent up to now is 145.1 secs Computing kpt #: 151 total cpu time spent up to now is 146.0 secs Computing kpt #: 152 total cpu time spent up to now is 146.8 secs Computing kpt #: 153 total cpu time spent up to now is 147.7 secs Computing kpt #: 154 total cpu time spent up to now is 148.5 secs Computing kpt #: 155 total cpu time spent up to now is 149.4 secs Computing kpt #: 156 total cpu time spent up to now is 150.2 secs Computing kpt #: 157 total cpu time spent up to now is 151.1 secs Computing kpt #: 158 total cpu time spent up to now is 151.9 secs Computing kpt #: 159 total cpu time spent up to now is 152.7 secs Computing kpt #: 160 total cpu time spent up to now is 153.6 secs Computing kpt #: 161 total cpu time spent up to now is 154.4 secs Computing kpt #: 162 total cpu time spent up to now is 155.2 secs Computing kpt #: 163 total cpu time spent up to now is 156.1 secs Computing kpt #: 164 total cpu time spent up to now is 156.9 secs Computing kpt #: 165 total cpu time spent up to now is 157.7 secs Computing kpt #: 166 total cpu time spent up to now is 158.6 secs Computing kpt #: 167 total cpu time spent up to now is 159.4 secs Computing kpt #: 168 total cpu time spent up to now is 160.3 secs Computing kpt #: 169 total cpu time spent up to now is 161.1 secs Computing kpt #: 170 total cpu time spent up to now is 161.9 secs Computing kpt #: 171 total cpu time spent up to now is 162.7 secs Computing kpt #: 172 total cpu time spent up to now is 163.6 secs Computing kpt #: 173 total cpu time spent up to now is 164.4 secs Computing kpt #: 174 total cpu time spent up to now is 165.2 secs Computing kpt #: 175 total cpu time spent up to now is 166.1 secs Computing kpt #: 176 total cpu time spent up to now is 166.9 secs Computing kpt #: 177 total cpu time spent up to now is 167.7 secs Computing kpt #: 178 total cpu time spent up to now is 168.5 secs Computing kpt #: 179 total cpu time spent up to now is 169.4 secs Computing kpt #: 180 total cpu time spent up to now is 170.2 secs Computing kpt #: 181 total cpu time spent up to now is 171.0 secs Computing kpt #: 182 total cpu time spent up to now is 171.9 secs Computing kpt #: 183 total cpu time spent up to now is 172.7 secs Computing kpt #: 184 total cpu time spent up to now is 173.5 secs Computing kpt #: 185 total cpu time spent up to now is 174.4 secs Computing kpt #: 186 total cpu time spent up to now is 175.2 secs Computing kpt #: 187 total cpu time spent up to now is 176.1 secs Computing kpt #: 188 total cpu time spent up to now is 176.9 secs Computing kpt #: 189 total cpu time spent up to now is 177.8 secs Computing kpt #: 190 total cpu time spent up to now is 178.7 secs Computing kpt #: 191 total cpu time spent up to now is 179.6 secs Computing kpt #: 192 total cpu time spent up to now is 180.5 secs Computing kpt #: 193 total cpu time spent up to now is 181.4 secs Computing kpt #: 194 total cpu time spent up to now is 182.3 secs Computing kpt #: 195 total cpu time spent up to now is 183.2 secs Computing kpt #: 196 total cpu time spent up to now is 184.2 secs Computing kpt #: 197 total cpu time spent up to now is 185.1 secs Computing kpt #: 198 total cpu time spent up to now is 186.1 secs Computing kpt #: 199 total cpu time spent up to now is 187.1 secs Computing kpt #: 200 total cpu time spent up to now is 188.0 secs Computing kpt #: 201 total cpu time spent up to now is 189.0 secs Computing kpt #: 202 total cpu time spent up to now is 190.0 secs Computing kpt #: 203 total cpu time spent up to now is 190.9 secs Computing kpt #: 204 total cpu time spent up to now is 191.9 secs Computing kpt #: 205 total cpu time spent up to now is 192.9 secs Computing kpt #: 206 total cpu time spent up to now is 194.0 secs Computing kpt #: 207 total cpu time spent up to now is 194.9 secs Computing kpt #: 208 total cpu time spent up to now is 195.9 secs Computing kpt #: 209 total cpu time spent up to now is 196.8 secs Computing kpt #: 210 total cpu time spent up to now is 197.8 secs Computing kpt #: 211 total cpu time spent up to now is 198.9 secs Computing kpt #: 212 total cpu time spent up to now is 199.8 secs Computing kpt #: 213 total cpu time spent up to now is 201.0 secs Computing kpt #: 214 total cpu time spent up to now is 201.9 secs Computing kpt #: 215 total cpu time spent up to now is 202.8 secs Computing kpt #: 216 total cpu time spent up to now is 203.8 secs Computing kpt #: 217 total cpu time spent up to now is 204.8 secs Computing kpt #: 218 total cpu time spent up to now is 205.7 secs Computing kpt #: 219 total cpu time spent up to now is 206.6 secs Computing kpt #: 220 total cpu time spent up to now is 207.6 secs Computing kpt #: 221 total cpu time spent up to now is 208.5 secs Computing kpt #: 222 total cpu time spent up to now is 209.6 secs Computing kpt #: 223 total cpu time spent up to now is 210.6 secs Computing kpt #: 224 total cpu time spent up to now is 211.5 secs Computing kpt #: 225 total cpu time spent up to now is 212.4 secs Computing kpt #: 226 total cpu time spent up to now is 213.4 secs Computing kpt #: 227 total cpu time spent up to now is 214.3 secs Computing kpt #: 228 total cpu time spent up to now is 215.2 secs Computing kpt #: 229 total cpu time spent up to now is 216.2 secs Computing kpt #: 230 total cpu time spent up to now is 217.2 secs Computing kpt #: 231 total cpu time spent up to now is 218.3 secs Computing kpt #: 232 total cpu time spent up to now is 219.4 secs Computing kpt #: 233 total cpu time spent up to now is 220.5 secs Computing kpt #: 234 total cpu time spent up to now is 221.7 secs Computing kpt #: 235 total cpu time spent up to now is 222.8 secs Computing kpt #: 236 total cpu time spent up to now is 223.9 secs Computing kpt #: 237 total cpu time spent up to now is 225.1 secs Computing kpt #: 238 total cpu time spent up to now is 226.2 secs Computing kpt #: 239 total cpu time spent up to now is 227.3 secs Computing kpt #: 240 total cpu time spent up to now is 228.5 secs Computing kpt #: 241 total cpu time spent up to now is 229.6 secs Computing kpt #: 242 total cpu time spent up to now is 230.7 secs Computing kpt #: 243 total cpu time spent up to now is 231.9 secs Computing kpt #: 244 total cpu time spent up to now is 232.9 secs Computing kpt #: 245 total cpu time spent up to now is 234.0 secs Computing kpt #: 246 total cpu time spent up to now is 235.0 secs Computing kpt #: 247 total cpu time spent up to now is 236.0 secs Computing kpt #: 248 total cpu time spent up to now is 236.9 secs Computing kpt #: 249 total cpu time spent up to now is 237.9 secs Computing kpt #: 250 total cpu time spent up to now is 238.8 secs Computing kpt #: 251 total cpu time spent up to now is 239.7 secs Computing kpt #: 252 total cpu time spent up to now is 240.6 secs Computing kpt #: 253 total cpu time spent up to now is 241.6 secs Computing kpt #: 254 total cpu time spent up to now is 242.5 secs Computing kpt #: 255 total cpu time spent up to now is 243.4 secs Computing kpt #: 256 total cpu time spent up to now is 244.2 secs Computing kpt #: 257 total cpu time spent up to now is 245.1 secs Computing kpt #: 258 total cpu time spent up to now is 246.0 secs Computing kpt #: 259 total cpu time spent up to now is 246.9 secs Computing kpt #: 260 total cpu time spent up to now is 247.7 secs Computing kpt #: 261 total cpu time spent up to now is 248.6 secs Computing kpt #: 262 total cpu time spent up to now is 249.4 secs Computing kpt #: 263 total cpu time spent up to now is 250.3 secs Computing kpt #: 264 total cpu time spent up to now is 251.2 secs Computing kpt #: 265 total cpu time spent up to now is 252.0 secs Computing kpt #: 266 total cpu time spent up to now is 252.9 secs Computing kpt #: 267 total cpu time spent up to now is 253.8 secs Computing kpt #: 268 total cpu time spent up to now is 254.6 secs Computing kpt #: 269 total cpu time spent up to now is 255.5 secs Computing kpt #: 270 total cpu time spent up to now is 256.4 secs Computing kpt #: 271 total cpu time spent up to now is 257.3 secs Computing kpt #: 272 total cpu time spent up to now is 258.2 secs Computing kpt #: 273 total cpu time spent up to now is 259.0 secs Computing kpt #: 274 total cpu time spent up to now is 259.9 secs Computing kpt #: 275 total cpu time spent up to now is 260.8 secs Computing kpt #: 276 total cpu time spent up to now is 261.6 secs Computing kpt #: 277 total cpu time spent up to now is 262.5 secs Computing kpt #: 278 total cpu time spent up to now is 263.4 secs Computing kpt #: 279 total cpu time spent up to now is 264.3 secs Computing kpt #: 280 total cpu time spent up to now is 265.1 secs Computing kpt #: 281 total cpu time spent up to now is 266.0 secs Computing kpt #: 282 total cpu time spent up to now is 266.9 secs Computing kpt #: 283 total cpu time spent up to now is 267.7 secs Computing kpt #: 284 total cpu time spent up to now is 268.6 secs Computing kpt #: 285 total cpu time spent up to now is 269.5 secs Computing kpt #: 286 total cpu time spent up to now is 270.4 secs Computing kpt #: 287 total cpu time spent up to now is 271.2 secs Computing kpt #: 288 total cpu time spent up to now is 272.1 secs Computing kpt #: 289 total cpu time spent up to now is 273.0 secs Computing kpt #: 290 total cpu time spent up to now is 273.9 secs Computing kpt #: 291 total cpu time spent up to now is 274.8 secs Computing kpt #: 292 total cpu time spent up to now is 275.7 secs Computing kpt #: 293 total cpu time spent up to now is 276.6 secs Computing kpt #: 294 total cpu time spent up to now is 277.5 secs Computing kpt #: 295 total cpu time spent up to now is 278.4 secs Computing kpt #: 296 total cpu time spent up to now is 279.3 secs Computing kpt #: 297 total cpu time spent up to now is 280.2 secs Computing kpt #: 298 total cpu time spent up to now is 281.1 secs Computing kpt #: 299 total cpu time spent up to now is 282.0 secs Computing kpt #: 300 total cpu time spent up to now is 282.9 secs Computing kpt #: 301 total cpu time spent up to now is 283.8 secs Computing kpt #: 302 total cpu time spent up to now is 284.7 secs Computing kpt #: 303 total cpu time spent up to now is 285.6 secs Computing kpt #: 304 total cpu time spent up to now is 286.5 secs Computing kpt #: 305 total cpu time spent up to now is 287.4 secs Computing kpt #: 306 total cpu time spent up to now is 288.3 secs Computing kpt #: 307 total cpu time spent up to now is 289.2 secs Computing kpt #: 308 total cpu time spent up to now is 290.0 secs Computing kpt #: 309 total cpu time spent up to now is 290.9 secs Computing kpt #: 310 total cpu time spent up to now is 291.8 secs Computing kpt #: 311 total cpu time spent up to now is 292.7 secs Computing kpt #: 312 total cpu time spent up to now is 293.6 secs Computing kpt #: 313 total cpu time spent up to now is 294.5 secs Computing kpt #: 314 total cpu time spent up to now is 295.5 secs Computing kpt #: 315 total cpu time spent up to now is 296.4 secs Computing kpt #: 316 total cpu time spent up to now is 297.4 secs Computing kpt #: 317 total cpu time spent up to now is 298.4 secs Computing kpt #: 318 total cpu time spent up to now is 299.4 secs Computing kpt #: 319 total cpu time spent up to now is 300.4 secs Computing kpt #: 320 total cpu time spent up to now is 301.4 secs Computing kpt #: 321 total cpu time spent up to now is 302.3 secs Computing kpt #: 322 total cpu time spent up to now is 303.2 secs Computing kpt #: 323 total cpu time spent up to now is 304.2 secs Computing kpt #: 324 total cpu time spent up to now is 305.5 secs Computing kpt #: 325 total cpu time spent up to now is 306.4 secs Computing kpt #: 326 total cpu time spent up to now is 307.4 secs Computing kpt #: 327 total cpu time spent up to now is 308.3 secs Computing kpt #: 328 total cpu time spent up to now is 309.3 secs Computing kpt #: 329 total cpu time spent up to now is 310.2 secs Computing kpt #: 330 total cpu time spent up to now is 311.1 secs Computing kpt #: 331 total cpu time spent up to now is 312.0 secs Computing kpt #: 332 total cpu time spent up to now is 312.9 secs Computing kpt #: 333 total cpu time spent up to now is 313.8 secs Computing kpt #: 334 total cpu time spent up to now is 314.6 secs Computing kpt #: 335 total cpu time spent up to now is 315.5 secs Computing kpt #: 336 total cpu time spent up to now is 316.3 secs Computing kpt #: 337 total cpu time spent up to now is 317.1 secs Computing kpt #: 338 total cpu time spent up to now is 318.2 secs Computing kpt #: 339 total cpu time spent up to now is 319.0 secs Computing kpt #: 340 total cpu time spent up to now is 319.8 secs Computing kpt #: 341 total cpu time spent up to now is 320.7 secs Computing kpt #: 342 total cpu time spent up to now is 321.5 secs Computing kpt #: 343 total cpu time spent up to now is 322.4 secs Computing kpt #: 344 total cpu time spent up to now is 323.3 secs Computing kpt #: 345 total cpu time spent up to now is 324.2 secs Computing kpt #: 346 total cpu time spent up to now is 325.1 secs Computing kpt #: 347 total cpu time spent up to now is 325.9 secs Computing kpt #: 348 total cpu time spent up to now is 326.8 secs Computing kpt #: 349 total cpu time spent up to now is 327.7 secs Computing kpt #: 350 total cpu time spent up to now is 328.6 secs Computing kpt #: 351 total cpu time spent up to now is 329.4 secs Computing kpt #: 352 total cpu time spent up to now is 330.3 secs Computing kpt #: 353 total cpu time spent up to now is 331.2 secs Computing kpt #: 354 total cpu time spent up to now is 332.0 secs Computing kpt #: 355 total cpu time spent up to now is 332.9 secs Computing kpt #: 356 total cpu time spent up to now is 333.7 secs Computing kpt #: 357 total cpu time spent up to now is 334.6 secs Computing kpt #: 358 total cpu time spent up to now is 335.5 secs Computing kpt #: 359 total cpu time spent up to now is 336.4 secs Computing kpt #: 360 total cpu time spent up to now is 337.2 secs Computing kpt #: 361 total cpu time spent up to now is 338.1 secs Computing kpt #: 362 total cpu time spent up to now is 338.9 secs Computing kpt #: 363 total cpu time spent up to now is 339.9 secs Computing kpt #: 364 total cpu time spent up to now is 340.8 secs Computing kpt #: 365 total cpu time spent up to now is 341.8 secs Computing kpt #: 366 total cpu time spent up to now is 342.7 secs Computing kpt #: 367 total cpu time spent up to now is 343.6 secs Computing kpt #: 368 total cpu time spent up to now is 344.6 secs Computing kpt #: 369 total cpu time spent up to now is 345.5 secs Computing kpt #: 370 total cpu time spent up to now is 346.5 secs Computing kpt #: 371 total cpu time spent up to now is 347.4 secs Computing kpt #: 372 total cpu time spent up to now is 348.4 secs Computing kpt #: 373 total cpu time spent up to now is 349.3 secs Computing kpt #: 374 total cpu time spent up to now is 350.3 secs Computing kpt #: 375 total cpu time spent up to now is 351.2 secs Computing kpt #: 376 total cpu time spent up to now is 352.1 secs Computing kpt #: 377 total cpu time spent up to now is 353.1 secs Computing kpt #: 378 total cpu time spent up to now is 354.0 secs Computing kpt #: 379 total cpu time spent up to now is 355.0 secs Computing kpt #: 380 total cpu time spent up to now is 355.9 secs Computing kpt #: 381 total cpu time spent up to now is 356.8 secs Computing kpt #: 382 total cpu time spent up to now is 357.8 secs Computing kpt #: 383 total cpu time spent up to now is 358.8 secs Computing kpt #: 384 total cpu time spent up to now is 359.6 secs Computing kpt #: 385 total cpu time spent up to now is 360.5 secs Computing kpt #: 386 total cpu time spent up to now is 361.4 secs Computing kpt #: 387 total cpu time spent up to now is 362.3 secs Computing kpt #: 388 total cpu time spent up to now is 363.1 secs Computing kpt #: 389 total cpu time spent up to now is 364.0 secs Computing kpt #: 390 total cpu time spent up to now is 364.9 secs Computing kpt #: 391 total cpu time spent up to now is 365.8 secs Computing kpt #: 392 total cpu time spent up to now is 366.6 secs Computing kpt #: 393 total cpu time spent up to now is 367.5 secs Computing kpt #: 394 total cpu time spent up to now is 368.4 secs Computing kpt #: 395 total cpu time spent up to now is 369.2 secs Computing kpt #: 396 total cpu time spent up to now is 370.1 secs Computing kpt #: 397 total cpu time spent up to now is 371.0 secs Computing kpt #: 398 total cpu time spent up to now is 371.8 secs Computing kpt #: 399 total cpu time spent up to now is 372.7 secs Computing kpt #: 400 total cpu time spent up to now is 373.5 secs Computing kpt #: 401 total cpu time spent up to now is 374.4 secs Computing kpt #: 402 total cpu time spent up to now is 375.3 secs Computing kpt #: 403 total cpu time spent up to now is 376.1 secs Computing kpt #: 404 total cpu time spent up to now is 377.0 secs ethr = 1.85E-08, avg # of iterations = 16.3 total cpu time spent up to now is 377.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10893 PWs) bands (ev): -64.7822 -64.7822 -64.7784 -64.7784 -36.8448 -36.8448 -36.8370 -36.8370 -35.8964 -35.8964 -35.8888 -35.8888 -35.8319 -35.8319 -35.8212 -35.8212 -8.9095 -8.9095 -8.5252 -8.5252 -7.1717 -7.1717 -5.6159 -5.6159 1.2626 1.2626 1.5758 1.5758 1.9952 1.9952 3.0267 3.0267 3.2916 3.2916 3.4605 3.4605 3.6497 3.6497 3.7230 3.7230 4.1773 4.1773 5.0598 5.0598 5.6511 5.6511 5.7989 5.7989 6.0457 6.0457 6.1913 6.1913 6.2442 6.2442 6.6909 6.6909 7.1237 7.1237 7.2231 7.2231 7.4726 7.4726 7.6498 7.6498 k = 0.0111-0.0000-0.0000 ( 10897 PWs) bands (ev): -64.7825 -64.7825 -64.7784 -64.7784 -36.8448 -36.8448 -36.8371 -36.8371 -35.8964 -35.8964 -35.8889 -35.8889 -35.8319 -35.8319 -35.8212 -35.8212 -8.9089 -8.9089 -8.5249 -8.5249 -7.1710 -7.1710 -5.6159 -5.6159 1.2634 1.2634 1.5763 1.5763 1.9952 1.9952 3.0256 3.0256 3.2920 3.2920 3.4582 3.4582 3.6499 3.6499 3.7251 3.7251 4.1706 4.1706 5.0607 5.0607 5.6439 5.6439 5.7861 5.7861 6.0512 6.0512 6.1945 6.1945 6.2525 6.2525 6.6909 6.6909 7.1231 7.1231 7.2227 7.2227 7.4717 7.4717 7.6499 7.6499 k = 0.0222-0.0000-0.0000 ( 10897 PWs) bands (ev): -64.7828 -64.7828 -64.7781 -64.7781 -36.8448 -36.8448 -36.8372 -36.8372 -35.8964 -35.8964 -35.8890 -35.8890 -35.8318 -35.8318 -35.8213 -35.8213 -8.9071 -8.9071 -8.5238 -8.5238 -7.1692 -7.1692 -5.6159 -5.6159 1.2659 1.2659 1.5781 1.5781 1.9955 1.9955 3.0220 3.0220 3.2931 3.2931 3.4517 3.4517 3.6508 3.6508 3.7310 3.7310 4.1510 4.1510 5.0631 5.0631 5.6233 5.6233 5.7512 5.7512 6.0673 6.0673 6.2044 6.2044 6.2770 6.2770 6.6910 6.6910 7.1217 7.1217 7.2215 7.2215 7.4721 7.4721 7.6521 7.6521 k = 0.0333-0.0000-0.0000 ( 10893 PWs) bands (ev): -64.7826 -64.7826 -64.7780 -64.7780 -36.8448 -36.8448 -36.8372 -36.8372 -35.8964 -35.8964 -35.8891 -35.8891 -35.8318 -35.8318 -35.8212 -35.8212 -8.9040 -8.9040 -8.5220 -8.5220 -7.1661 -7.1661 -5.6158 -5.6158 1.2701 1.2701 1.5810 1.5810 1.9962 1.9962 3.0169 3.0169 3.2951 3.2951 3.4417 3.4417 3.6526 3.6526 3.7398 3.7398 4.1192 4.1192 5.0665 5.0665 5.5908 5.5908 5.7011 5.7011 6.0905 6.0905 6.2216 6.2216 6.3113 6.3113 6.6898 6.6898 7.1184 7.1184 7.2207 7.2207 7.4744 7.4744 7.6533 7.6533 k = 0.0444-0.0000-0.0000 ( 10875 PWs) bands (ev): -64.7819 -64.7819 -64.7773 -64.7773 -36.8447 -36.8447 -36.8372 -36.8372 -35.8964 -35.8964 -35.8891 -35.8891 -35.8316 -35.8316 -35.8211 -35.8211 -8.8998 -8.8998 -8.5195 -8.5195 -7.1617 -7.1617 -5.6158 -5.6158 1.2760 1.2760 1.5849 1.5849 1.9970 1.9970 3.0102 3.0102 3.2977 3.2977 3.4291 3.4291 3.6552 3.6552 3.7504 3.7504 4.0769 4.0769 5.0703 5.0703 5.5480 5.5480 5.6428 5.6428 6.1209 6.1209 6.2433 6.2433 6.3516 6.3516 6.6924 6.6924 7.1158 7.1158 7.2186 7.2186 7.4772 7.4772 7.6542 7.6542 k = 0.0556-0.0000-0.0000 ( 10869 PWs) bands (ev): -64.7816 -64.7816 -64.7772 -64.7772 -36.8448 -36.8448 -36.8372 -36.8372 -35.8965 -35.8965 -35.8892 -35.8892 -35.8315 -35.8315 -35.8211 -35.8211 -8.8943 -8.8943 -8.5163 -8.5163 -7.1561 -7.1561 -5.6157 -5.6157 1.2834 1.2834 1.5899 1.5899 1.9980 1.9980 3.0017 3.0017 3.3007 3.3007 3.4145 3.4145 3.6585 3.6585 3.7613 3.7613 4.0258 4.0258 5.0738 5.0738 5.4948 5.4948 5.5816 5.5816 6.1517 6.1517 6.2698 6.2698 6.3933 6.3933 6.6913 6.6913 7.1094 7.1094 7.2154 7.2154 7.4811 7.4811 7.6570 7.6570 k = 0.0667-0.0000-0.0000 ( 10861 PWs) bands (ev): -64.7812 -64.7812 -64.7770 -64.7770 -36.8448 -36.8448 -36.8373 -36.8373 -35.8966 -35.8966 -35.8894 -35.8894 -35.8314 -35.8314 -35.8210 -35.8210 -8.8877 -8.8877 -8.5124 -8.5124 -7.1492 -7.1492 -5.6157 -5.6157 1.2926 1.2926 1.5957 1.5957 1.9989 1.9989 2.9918 2.9918 3.3039 3.3039 3.3994 3.3994 3.6622 3.6622 3.7713 3.7713 3.9686 3.9686 5.0755 5.0755 5.4315 5.4315 5.5217 5.5217 6.1851 6.1851 6.2992 6.2992 6.4345 6.4345 6.6893 6.6893 7.1019 7.1019 7.2122 7.2122 7.4840 7.4840 7.6589 7.6589 k = 0.0778-0.0000-0.0000 ( 10853 PWs) bands (ev): -64.7809 -64.7809 -64.7766 -64.7766 -36.8448 -36.8448 -36.8373 -36.8373 -35.8967 -35.8967 -35.8895 -35.8895 -35.8313 -35.8313 -35.8210 -35.8210 -8.8799 -8.8799 -8.5079 -8.5079 -7.1412 -7.1412 -5.6158 -5.6158 1.3034 1.3034 1.6023 1.6023 1.9999 1.9999 2.9802 2.9802 3.3066 3.3066 3.3837 3.3837 3.6659 3.6659 3.7771 3.7771 3.9098 3.9098 5.0739 5.0739 5.3608 5.3608 5.4641 5.4641 6.2191 6.2191 6.3320 6.3320 6.4752 6.4752 6.6898 6.6898 7.0945 7.0945 7.2074 7.2074 7.4876 7.4876 7.6603 7.6603 k = 0.0889-0.0000-0.0000 ( 10851 PWs) bands (ev): -64.7806 -64.7806 -64.7768 -64.7768 -36.8449 -36.8449 -36.8374 -36.8374 -35.8969 -35.8969 -35.8897 -35.8897 -35.8312 -35.8312 -35.8209 -35.8209 -8.8710 -8.8710 -8.5027 -8.5027 -7.1319 -7.1319 -5.6159 -5.6159 1.3159 1.3159 1.6095 1.6095 2.0006 2.0006 2.9682 2.9682 3.3075 3.3075 3.3688 3.3688 3.6680 3.6680 3.7695 3.7695 3.8615 3.8615 5.0661 5.0661 5.2879 5.2879 5.4073 5.4073 6.2527 6.2527 6.3653 6.3653 6.5133 6.5133 6.6878 6.6878 7.0851 7.0851 7.2031 7.2031 7.4900 7.4900 7.6615 7.6615 k = 0.1000-0.0000-0.0000 ( 10861 PWs) bands (ev): -64.7808 -64.7808 -64.7773 -64.7773 -36.8451 -36.8451 -36.8376 -36.8376 -35.8973 -35.8973 -35.8901 -35.8901 -35.8311 -35.8311 -35.8210 -35.8210 -8.8610 -8.8610 -8.4969 -8.4969 -7.1213 -7.1213 -5.6162 -5.6162 1.3300 1.3300 1.6172 1.6172 2.0012 2.0012 2.9550 2.9550 3.3045 3.3045 3.3559 3.3559 3.6629 3.6629 3.7377 3.7377 3.8420 3.8420 5.0464 5.0464 5.2204 5.2204 5.3504 5.3504 6.2846 6.2846 6.3981 6.3981 6.5493 6.5493 6.6842 6.6842 7.0745 7.0745 7.1968 7.1968 7.4933 7.4933 7.6626 7.6626 k = 0.1111-0.0000-0.0000 ( 10865 PWs) bands (ev): -64.7811 -64.7811 -64.7771 -64.7771 -36.8451 -36.8451 -36.8379 -36.8379 -35.8975 -35.8975 -35.8905 -35.8905 -35.8310 -35.8310 -35.8210 -35.8210 -8.8499 -8.8499 -8.4906 -8.4906 -7.1096 -7.1096 -5.6166 -5.6166 1.3456 1.3456 1.6254 1.6254 2.0016 2.0016 2.9409 2.9409 3.2960 3.2960 3.3451 3.3451 3.6327 3.6327 3.7126 3.7126 3.8413 3.8413 5.0061 5.0061 5.1687 5.1687 5.2933 5.2933 6.3154 6.3154 6.4325 6.4325 6.5847 6.5847 6.6820 6.6820 7.0628 7.0628 7.1894 7.1894 7.4961 7.4961 7.6646 7.6646 k = 0.1222-0.0000-0.0000 ( 10867 PWs) bands (ev): -64.7812 -64.7812 -64.7772 -64.7772 -36.8453 -36.8453 -36.8381 -36.8381 -35.8978 -35.8978 -35.8909 -35.8909 -35.8308 -35.8308 -35.8210 -35.8210 -8.8378 -8.8378 -8.4837 -8.4837 -7.0967 -7.0967 -5.6173 -5.6173 1.3630 1.3630 1.6337 1.6337 2.0016 2.0016 2.9272 2.9272 3.2815 3.2815 3.3318 3.3318 3.5824 3.5824 3.7082 3.7082 3.8452 3.8452 4.9432 4.9432 5.1344 5.1344 5.2366 5.2366 6.3456 6.3456 6.4666 6.4666 6.6173 6.6173 6.6803 6.6803 7.0502 7.0502 7.1820 7.1820 7.4991 7.4991 7.6653 7.6653 k = 0.1333-0.0000-0.0000 ( 10873 PWs) bands (ev): -64.7812 -64.7812 -64.7776 -64.7776 -36.8454 -36.8454 -36.8383 -36.8383 -35.8980 -35.8980 -35.8913 -35.8913 -35.8308 -35.8308 -35.8210 -35.8210 -8.8248 -8.8248 -8.4762 -8.4762 -7.0826 -7.0826 -5.6182 -5.6182 1.3820 1.3820 1.6420 1.6420 2.0012 2.0012 2.9129 2.9129 3.2597 3.2597 3.3100 3.3100 3.5383 3.5383 3.7097 3.7097 3.8498 3.8498 4.8672 4.8672 5.1069 5.1069 5.1829 5.1829 6.3759 6.3759 6.5012 6.5012 6.6480 6.6480 6.6788 6.6788 7.0356 7.0356 7.1735 7.1735 7.5021 7.5021 7.6656 7.6656 k = 0.1444-0.0000-0.0000 ( 10867 PWs) bands (ev): -64.7811 -64.7811 -64.7772 -64.7772 -36.8455 -36.8455 -36.8385 -36.8385 -35.8983 -35.8983 -35.8916 -35.8916 -35.8306 -35.8306 -35.8210 -35.8210 -8.8108 -8.8108 -8.4683 -8.4683 -7.0673 -7.0673 -5.6194 -5.6194 1.4025 1.4025 1.6501 1.6501 2.0005 2.0005 2.8984 2.8984 3.2249 3.2249 3.2822 3.2822 3.5121 3.5121 3.7116 3.7116 3.8543 3.8543 4.7868 4.7868 5.0733 5.0733 5.1372 5.1372 6.4052 6.4052 6.5331 6.5331 6.6722 6.6722 6.6839 6.6839 7.0217 7.0217 7.1644 7.1644 7.5055 7.5055 7.6665 7.6665 k = 0.1556-0.0000-0.0000 ( 10861 PWs) bands (ev): -64.7812 -64.7812 -64.7767 -64.7767 -36.8455 -36.8455 -36.8388 -36.8388 -35.8984 -35.8984 -35.8921 -35.8921 -35.8304 -35.8304 -35.8211 -35.8211 -8.7960 -8.7960 -8.4600 -8.4600 -7.0508 -7.0508 -5.6210 -5.6210 1.4247 1.4247 1.6579 1.6579 1.9990 1.9990 2.8827 2.8827 3.1712 3.1712 3.2574 3.2574 3.5029 3.5029 3.7119 3.7119 3.8589 3.8589 4.7062 4.7062 5.0257 5.0257 5.1037 5.1037 6.4330 6.4330 6.5649 6.5649 6.6757 6.6757 6.7085 6.7085 7.0072 7.0072 7.1547 7.1547 7.5080 7.5080 7.6675 7.6675 k = 0.1667-0.0000-0.0000 ( 10853 PWs) bands (ev): -64.7808 -64.7808 -64.7764 -64.7764 -36.8456 -36.8456 -36.8390 -36.8390 -35.8987 -35.8987 -35.8924 -35.8924 -35.8302 -35.8302 -35.8210 -35.8210 -8.7803 -8.7803 -8.4513 -8.4513 -7.0332 -7.0332 -5.6230 -5.6230 1.4485 1.4485 1.6651 1.6651 1.9970 1.9970 2.8639 2.8639 3.1068 3.1068 3.2361 3.2361 3.5046 3.5046 3.7095 3.7095 3.8637 3.8637 4.6282 4.6282 4.9690 4.9690 5.0766 5.0766 6.4604 6.4604 6.5940 6.5940 6.6749 6.6749 6.7372 6.7372 6.9906 6.9906 7.1445 7.1445 7.5111 7.5111 7.6680 7.6680 k = 0.1778-0.0000-0.0000 ( 10845 PWs) bands (ev): -64.7801 -64.7801 -64.7765 -64.7765 -36.8457 -36.8457 -36.8392 -36.8392 -35.8990 -35.8990 -35.8928 -35.8928 -35.8300 -35.8300 -35.8209 -35.8209 -8.7639 -8.7639 -8.4422 -8.4422 -7.0144 -7.0144 -5.6254 -5.6254 1.4739 1.4739 1.6714 1.6714 1.9941 1.9941 2.8380 2.8380 3.0441 3.0441 3.2153 3.2153 3.5123 3.5123 3.7040 3.7040 3.8696 3.8696 4.5542 4.5542 4.9088 4.9088 5.0498 5.0498 6.4877 6.4877 6.6186 6.6186 6.6749 6.6749 6.7641 6.7641 6.9733 6.9733 7.1354 7.1354 7.5135 7.5135 7.6674 7.6674 k = 0.1889-0.0000-0.0000 ( 10847 PWs) bands (ev): -64.7802 -64.7802 -64.7765 -64.7765 -36.8458 -36.8458 -36.8395 -36.8395 -35.8993 -35.8993 -35.8933 -35.8933 -35.8299 -35.8299 -35.8210 -35.8210 -8.7467 -8.7467 -8.4328 -8.4328 -6.9945 -6.9945 -5.6285 -5.6285 1.5008 1.5008 1.6769 1.6769 1.9904 1.9904 2.7980 2.7980 2.9937 2.9937 3.1936 3.1936 3.5222 3.5222 3.6956 3.6956 3.8767 3.8767 4.4853 4.4853 4.8467 4.8467 5.0212 5.0212 6.5127 6.5127 6.6372 6.6372 6.6789 6.6789 6.7884 6.7884 6.9555 6.9555 7.1238 7.1238 7.5147 7.5147 7.6658 7.6658 k = 0.2000-0.0000-0.0000 ( 10851 PWs) bands (ev): -64.7802 -64.7802 -64.7767 -64.7767 -36.8460 -36.8460 -36.8397 -36.8397 -35.8997 -35.8997 -35.8938 -35.8938 -35.8297 -35.8297 -35.8210 -35.8210 -8.7290 -8.7290 -8.4232 -8.4232 -6.9735 -6.9735 -5.6321 -5.6321 1.5292 1.5292 1.6814 1.6814 1.9858 1.9858 2.7407 2.7407 2.9617 2.9617 3.1695 3.1695 3.5319 3.5319 3.6861 3.6861 3.8851 3.8851 4.4225 4.4225 4.7838 4.7838 4.9901 4.9901 6.5364 6.5364 6.6464 6.6464 6.6894 6.6894 6.8111 6.8111 6.9369 6.9369 7.1117 7.1117 7.5160 7.5160 7.6652 7.6652 k = 0.2111-0.0000-0.0000 ( 10855 PWs) bands (ev): -64.7800 -64.7800 -64.7770 -64.7770 -36.8462 -36.8462 -36.8400 -36.8400 -35.9002 -35.9002 -35.8943 -35.8943 -35.8295 -35.8295 -35.8210 -35.8210 -8.7107 -8.7107 -8.4134 -8.4134 -6.9514 -6.9514 -5.6364 -5.6364 1.5591 1.5591 1.6849 1.6849 1.9803 1.9803 2.6703 2.6703 2.9446 2.9446 3.1428 3.1428 3.5386 3.5386 3.6785 3.6785 3.8944 3.8944 4.3663 4.3663 4.7204 4.7204 4.9563 4.9563 6.5592 6.5592 6.6480 6.6480 6.7047 6.7047 6.8319 6.8319 6.9175 6.9175 7.0992 7.0992 7.5180 7.5180 7.6639 7.6639 k = 0.2222-0.0000-0.0000 ( 10863 PWs) bands (ev): -64.7798 -64.7798 -64.7777 -64.7777 -36.8464 -36.8464 -36.8403 -36.8403 -35.9007 -35.9007 -35.8948 -35.8948 -35.8293 -35.8293 -35.8210 -35.8210 -8.6919 -8.6919 -8.4035 -8.4035 -6.9283 -6.9283 -5.6414 -5.6414 1.5905 1.5905 1.6872 1.6872 1.9738 1.9738 2.5934 2.5934 2.9356 2.9356 3.1128 3.1128 3.5392 3.5392 3.6765 3.6765 3.9043 3.9043 4.3169 4.3169 4.6573 4.6573 4.9200 4.9200 6.5810 6.5810 6.6461 6.6461 6.7190 6.7190 6.8515 6.8515 6.8997 6.8997 7.0870 7.0870 7.5191 7.5191 7.6632 7.6632 k = 0.2333-0.0000-0.0000 ( 10859 PWs) bands (ev): -64.7796 -64.7796 -64.7776 -64.7776 -36.8465 -36.8465 -36.8406 -36.8406 -35.9010 -35.9010 -35.8953 -35.8953 -35.8291 -35.8291 -35.8210 -35.8210 -8.6726 -8.6726 -8.3935 -8.3935 -6.9041 -6.9041 -5.6472 -5.6472 1.6232 1.6232 1.6887 1.6887 1.9664 1.9664 2.5143 2.5143 2.9295 2.9295 3.0817 3.0817 3.5329 3.5329 3.6827 3.6827 3.9141 3.9141 4.2747 4.2747 4.5950 4.5950 4.8814 4.8814 6.6008 6.6008 6.6439 6.6439 6.7350 6.7350 6.8620 6.8620 6.8891 6.8891 7.0739 7.0739 7.5198 7.5198 7.6624 7.6624 k = 0.2444-0.0000-0.0000 ( 10843 PWs) bands (ev): -64.7787 -64.7787 -64.7772 -64.7772 -36.8466 -36.8466 -36.8408 -36.8408 -35.9013 -35.9013 -35.8956 -35.8956 -35.8289 -35.8289 -35.8210 -35.8210 -8.6531 -8.6531 -8.3834 -8.3834 -6.8789 -6.8789 -5.6539 -5.6539 1.6567 1.6567 1.6897 1.6897 1.9581 1.9581 2.4353 2.4353 2.9194 2.9194 3.0532 3.0532 3.5213 3.5213 3.6961 3.6961 3.9231 3.9231 4.2390 4.2390 4.5342 4.5342 4.8410 4.8410 6.6180 6.6180 6.6437 6.6437 6.7492 6.7492 6.8528 6.8528 6.8998 6.8998 7.0624 7.0624 7.5219 7.5219 7.6623 7.6623 k = 0.2556-0.0000-0.0000 ( 10841 PWs) bands (ev): -64.7786 -64.7786 -64.7771 -64.7771 -36.8467 -36.8467 -36.8411 -36.8411 -35.9016 -35.9016 -35.8962 -35.8962 -35.8286 -35.8286 -35.8210 -35.8210 -8.6332 -8.6332 -8.3735 -8.3735 -6.8527 -6.8527 -5.6615 -5.6615 1.6824 1.6824 1.6990 1.6990 1.9486 1.9486 2.3578 2.3578 2.8963 2.8963 3.0354 3.0354 3.5071 3.5071 3.7144 3.7144 3.9300 3.9300 4.2089 4.2089 4.4753 4.4753 4.7991 4.7991 6.6274 6.6274 6.6482 6.6482 6.7600 6.7600 6.8360 6.8360 6.9140 6.9140 7.0499 7.0499 7.5227 7.5227 7.6628 7.6628 k = 0.2667-0.0000-0.0000 ( 10851 PWs) bands (ev): -64.7788 -64.7788 -64.7776 -64.7776 -36.8469 -36.8469 -36.8415 -36.8415 -35.9020 -35.9020 -35.8967 -35.8967 -35.8285 -35.8285 -35.8211 -35.8211 -8.6133 -8.6133 -8.3636 -8.3636 -6.8255 -6.8255 -5.6701 -5.6701 1.6843 1.6843 1.7325 1.7325 1.9381 1.9381 2.2827 2.2827 2.8559 2.8559 3.0322 3.0322 3.4921 3.4921 3.7359 3.7359 3.9337 3.9337 4.1842 4.1842 4.4201 4.4201 4.7562 4.7562 6.6257 6.6257 6.6590 6.6590 6.7684 6.7684 6.8193 6.8193 6.9275 6.9275 7.0368 7.0368 7.5227 7.5227 7.6616 7.6616 k = 0.2778-0.0000-0.0000 ( 10833 PWs) bands (ev): -64.7778 -64.7778 -64.7773 -64.7773 -36.8470 -36.8470 -36.8416 -36.8416 -35.9023 -35.9023 -35.8970 -35.8970 -35.8282 -35.8282 -35.8211 -35.8211 -8.5932 -8.5932 -8.3539 -8.3539 -6.7975 -6.7975 -5.6797 -5.6797 1.6826 1.6826 1.7700 1.7700 1.9267 1.9267 2.2108 2.2108 2.8029 2.8029 3.0403 3.0403 3.4777 3.4777 3.7595 3.7595 3.9329 3.9329 4.1646 4.1646 4.3707 4.3707 4.7130 4.7130 6.6228 6.6228 6.6722 6.6722 6.7705 6.7705 6.8094 6.8094 6.9420 6.9420 7.0253 7.0253 7.5246 7.5246 7.6620 7.6620 k = 0.2889-0.0000-0.0000 ( 10839 PWs) bands (ev): -64.7780 -64.7780 -64.7774 -64.7774 -36.8471 -36.8471 -36.8420 -36.8420 -35.9026 -35.9026 -35.8976 -35.8976 -35.8280 -35.8280 -35.8212 -35.8212 -8.5731 -8.5731 -8.3445 -8.3445 -6.7685 -6.7685 -5.6905 -5.6905 1.6801 1.6801 1.8079 1.8079 1.9147 1.9147 2.1428 2.1428 2.7421 2.7421 3.0543 3.0543 3.4633 3.4633 3.7843 3.7843 3.9250 3.9250 4.1487 4.1487 4.3289 4.3289 4.6696 4.6696 6.6178 6.6178 6.6809 6.6809 6.7646 6.7646 6.8073 6.8073 6.9489 6.9489 7.0142 7.0142 7.5245 7.5245 7.6618 7.6618 k = 0.3000-0.0000-0.0000 ( 10835 PWs) bands (ev): -64.7778 -64.7778 -64.7772 -64.7772 -36.8472 -36.8472 -36.8423 -36.8423 -35.9030 -35.9030 -35.8982 -35.8982 -35.8277 -35.8277 -35.8212 -35.8212 -8.5530 -8.5530 -8.3353 -8.3353 -6.7387 -6.7387 -5.7024 -5.7024 1.6772 1.6772 1.8426 1.8426 1.9055 1.9055 2.0798 2.0798 2.6770 2.6770 3.0723 3.0723 3.4495 3.4495 3.8099 3.8099 3.9079 3.9079 4.1368 4.1368 4.2970 4.2970 4.6268 4.6268 6.6104 6.6104 6.6834 6.6834 6.7575 6.7575 6.8084 6.8084 6.9541 6.9541 7.0046 7.0046 7.5270 7.5270 7.6651 7.6651 k = 0.3111-0.0000-0.0000 ( 10831 PWs) bands (ev): -64.7774 -64.7774 -64.7773 -64.7773 -36.8473 -36.8473 -36.8426 -36.8426 -35.9032 -35.9032 -35.8986 -35.8986 -35.8275 -35.8275 -35.8213 -35.8213 -8.5332 -8.5332 -8.3266 -8.3266 -6.7081 -6.7081 -5.7155 -5.7155 1.6741 1.6741 1.8567 1.8567 1.9146 1.9146 2.0230 2.0230 2.6096 2.6096 3.0923 3.0923 3.4357 3.4357 3.8353 3.8353 3.8804 3.8804 4.1291 4.1291 4.2760 4.2760 4.5850 4.5850 6.6031 6.6031 6.6780 6.6780 6.7556 6.7556 6.8125 6.8125 6.9566 6.9566 7.0000 7.0000 7.5294 7.5294 7.6652 7.6652 k = 0.3222-0.0000-0.0000 ( 10827 PWs) bands (ev): -64.7772 -64.7772 -64.7772 -64.7772 -36.8473 -36.8473 -36.8429 -36.8429 -35.9035 -35.9035 -35.8991 -35.8991 -35.8272 -35.8272 -35.8213 -35.8213 -8.5135 -8.5135 -8.3183 -8.3183 -6.6768 -6.6768 -5.7299 -5.7299 1.6710 1.6710 1.8429 1.8429 1.9440 1.9440 1.9788 1.9788 2.5413 2.5413 3.1135 3.1135 3.4218 3.4218 3.8384 3.8384 3.8655 3.8655 4.1256 4.1256 4.2650 4.2650 4.5446 4.5446 6.5966 6.5966 6.6656 6.6656 6.7604 6.7604 6.8147 6.8147 6.9516 6.9516 6.9964 6.9964 7.5322 7.5322 7.6666 7.6666 k = 0.3333-0.0000-0.0000 ( 10837 PWs) bands (ev): -64.7776 -64.7776 -64.7775 -64.7775 -36.8474 -36.8474 -36.8433 -36.8433 -35.9038 -35.9038 -35.8997 -35.8997 -35.8271 -35.8271 -35.8214 -35.8214 -8.4942 -8.4942 -8.3104 -8.3104 -6.6447 -6.6447 -5.7455 -5.7455 1.6678 1.6678 1.8178 1.8178 1.9252 1.9252 1.9988 1.9988 2.4732 2.4732 3.1348 3.1348 3.4077 3.4077 3.7928 3.7928 3.8901 3.8901 4.1263 4.1263 4.2616 4.2616 4.5060 4.5060 6.5884 6.5884 6.6473 6.6473 6.7674 6.7674 6.8145 6.8145 6.9440 6.9440 6.9928 6.9928 7.5349 7.5349 7.6681 7.6681 k = 0.3444-0.0000-0.0000 ( 10831 PWs) bands (ev): -64.7773 -64.7773 -64.7773 -64.7773 -36.8475 -36.8475 -36.8435 -36.8435 -35.9040 -35.9040 -35.9001 -35.9001 -35.8268 -35.8268 -35.8215 -35.8215 -8.4753 -8.4753 -8.3032 -8.3032 -6.6120 -6.6120 -5.7624 -5.7624 1.6646 1.6646 1.7871 1.7871 1.8929 1.8929 2.0434 2.0434 2.4060 2.4060 3.1562 3.1562 3.3939 3.3939 3.7394 3.7394 3.9160 3.9160 4.1311 4.1311 4.2636 4.2636 4.4700 4.4700 6.5790 6.5790 6.6304 6.6304 6.7751 6.7751 6.8157 6.8157 6.9349 6.9349 6.9911 6.9911 7.5385 7.5385 7.6689 7.6689 k = 0.3556-0.0000-0.0000 ( 10827 PWs) bands (ev): -64.7772 -64.7772 -64.7771 -64.7771 -36.8475 -36.8475 -36.8438 -36.8438 -35.9042 -35.9042 -35.9005 -35.9005 -35.8265 -35.8265 -35.8216 -35.8216 -8.4569 -8.4569 -8.2966 -8.2966 -6.5788 -6.5788 -5.7807 -5.7807 1.6608 1.6608 1.7546 1.7546 1.8655 1.8655 2.0910 2.0910 2.3408 2.3408 3.1767 3.1767 3.3801 3.3801 3.6816 3.6816 3.9416 3.9416 4.1390 4.1390 4.2689 4.2689 4.4369 4.4369 6.5708 6.5708 6.6120 6.6120 6.7827 6.7827 6.8147 6.8147 6.9254 6.9254 6.9869 6.9869 7.5435 7.5435 7.6697 7.6697 k = 0.3667-0.0000-0.0000 ( 10833 PWs) bands (ev): -64.7775 -64.7775 -64.7773 -64.7773 -36.8476 -36.8476 -36.8442 -36.8442 -35.9045 -35.9045 -35.9010 -35.9010 -35.8263 -35.8263 -35.8217 -35.8217 -8.4390 -8.4390 -8.2906 -8.2906 -6.5450 -6.5450 -5.8003 -5.8003 1.6549 1.6549 1.7247 1.7247 1.8412 1.8412 2.1404 2.1404 2.2779 2.2779 3.1956 3.1956 3.3665 3.3665 3.6203 3.6203 3.9667 3.9667 4.1492 4.1492 4.2762 4.2762 4.4067 4.4067 6.5604 6.5604 6.5929 6.5929 6.7886 6.7886 6.8134 6.8134 6.9167 6.9167 6.9801 6.9801 7.5490 7.5490 7.6705 7.6705 k = 0.3778-0.0000-0.0000 ( 10835 PWs) bands (ev): -64.7776 -64.7776 -64.7772 -64.7772 -36.8477 -36.8477 -36.8445 -36.8445 -35.9047 -35.9047 -35.9015 -35.9015 -35.8261 -35.8261 -35.8219 -35.8219 -8.4218 -8.4218 -8.2854 -8.2854 -6.5108 -6.5108 -5.8212 -5.8212 1.6441 1.6441 1.7026 1.7026 1.8187 1.8187 2.1908 2.1908 2.2184 2.2184 3.2125 3.2125 3.3532 3.3532 3.5577 3.5577 3.9913 3.9913 4.1611 4.1611 4.2843 4.2843 4.3801 4.3801 6.5506 6.5506 6.5761 6.5761 6.7936 6.7936 6.8112 6.8112 6.9092 6.9092 6.9720 6.9720 7.5552 7.5552 7.6707 7.6707 k = 0.3889-0.0000-0.0000 ( 10833 PWs) bands (ev): -64.7777 -64.7777 -64.7770 -64.7770 -36.8477 -36.8477 -36.8447 -36.8447 -35.9049 -35.9049 -35.9019 -35.9019 -35.8259 -35.8259 -35.8219 -35.8219 -8.4053 -8.4053 -8.2810 -8.2810 -6.4762 -6.4762 -5.8434 -5.8434 1.6267 1.6267 1.6910 1.6910 1.7971 1.7971 2.1610 2.1610 2.2439 2.2439 3.2268 3.2268 3.3407 3.3407 3.4944 3.4944 4.0150 4.0150 4.1738 4.1738 4.2925 4.2925 4.3576 4.3576 6.5400 6.5400 6.5606 6.5606 6.7969 6.7969 6.8123 6.8123 6.9032 6.9032 6.9624 6.9624 7.5623 7.5623 7.6704 7.6704 k = 0.4000-0.0000-0.0000 ( 10827 PWs) bands (ev): -64.7776 -64.7776 -64.7766 -64.7766 -36.8477 -36.8477 -36.8449 -36.8449 -35.9050 -35.9050 -35.9022 -35.9022 -35.8256 -35.8256 -35.8221 -35.8221 -8.3895 -8.3895 -8.2775 -8.2775 -6.4413 -6.4413 -5.8669 -5.8669 1.6064 1.6064 1.6863 1.6863 1.7765 1.7765 2.1082 2.1082 2.2973 2.2973 3.2376 3.2376 3.3292 3.3292 3.4317 3.4317 4.0379 4.0379 4.1866 4.1866 4.2995 4.2995 4.3396 4.3396 6.5294 6.5294 6.5462 6.5462 6.7981 6.7981 6.8154 6.8154 6.8969 6.8969 6.9539 6.9539 7.5698 7.5698 7.6697 7.6697 k = 0.4111-0.0000-0.0000 ( 10821 PWs) bands (ev): -64.7775 -64.7775 -64.7762 -64.7762 -36.8476 -36.8476 -36.8451 -36.8451 -35.9051 -35.9051 -35.9025 -35.9025 -35.8254 -35.8254 -35.8222 -35.8222 -8.3746 -8.3746 -8.2748 -8.2748 -6.4062 -6.4062 -5.8917 -5.8917 1.5871 1.5871 1.6838 1.6838 1.7576 1.7576 2.0593 2.0593 2.3521 2.3521 3.2428 3.2428 3.3185 3.3185 3.3723 3.3723 4.0597 4.0597 4.1985 4.1985 4.3035 4.3035 4.3284 4.3284 6.5191 6.5191 6.5336 6.5336 6.7973 6.7973 6.8186 6.8186 6.8908 6.8908 6.9435 6.9435 7.5780 7.5780 7.6685 7.6685 k = 0.4222-0.0000-0.0000 ( 10831 PWs) bands (ev): -64.7779 -64.7779 -64.7765 -64.7765 -36.8477 -36.8477 -36.8454 -36.8454 -35.9052 -35.9052 -35.9029 -35.9029 -35.8252 -35.8252 -35.8224 -35.8224 -8.3605 -8.3605 -8.2731 -8.2731 -6.3710 -6.3710 -5.9177 -5.9177 1.5709 1.5709 1.6796 1.6796 1.7430 1.7430 2.0144 2.0144 2.4079 2.4079 3.2343 3.2343 3.3071 3.3071 3.3256 3.3256 4.0803 4.0803 4.2083 4.2083 4.3022 4.3022 4.3261 4.3261 6.5079 6.5079 6.5211 6.5211 6.7960 6.7960 6.8207 6.8207 6.8840 6.8840 6.9306 6.9306 7.5855 7.5855 7.6664 7.6664 k = 0.4333-0.0000-0.0000 ( 10826 PWs) bands (ev): -64.7777 -64.7777 -64.7764 -64.7764 -36.8476 -36.8476 -36.8456 -36.8456 -35.9052 -35.9052 -35.9032 -35.9032 -35.8250 -35.8250 -35.8225 -35.8225 -8.3474 -8.3474 -8.2724 -8.2724 -6.3358 -6.3358 -5.9448 -5.9448 1.5584 1.5584 1.6699 1.6699 1.7361 1.7361 1.9736 1.9736 2.4649 2.4649 3.1981 3.1981 3.2944 3.2944 3.3071 3.3071 4.0997 4.0997 4.2148 4.2148 4.2997 4.2997 4.3287 4.3287 6.4987 6.4987 6.5108 6.5108 6.7966 6.7966 6.8244 6.8244 6.8806 6.8806 6.9186 6.9186 7.5938 7.5938 7.6639 7.6639 k = 0.4444-0.0000-0.0000 ( 10848 PWs) bands (ev): -64.7782 -64.7782 -64.7774 -64.7774 -36.8476 -36.8476 -36.8460 -36.8460 -35.9053 -35.9053 -35.9037 -35.9037 -35.8248 -35.8248 -35.8228 -35.8228 -8.3352 -8.3352 -8.2727 -8.2727 -6.3006 -6.3006 -5.9731 -5.9731 1.5499 1.5499 1.6542 1.6542 1.7373 1.7373 1.9368 1.9368 2.5227 2.5227 3.1421 3.1421 3.2896 3.2896 3.2993 3.2993 4.1177 4.1177 4.2170 4.2170 4.3003 4.3003 4.3318 4.3318 6.4900 6.4900 6.5006 6.5006 6.7959 6.7959 6.8247 6.8247 6.8748 6.8748 6.9037 6.9037 7.6001 7.6001 7.6608 7.6608 k = 0.4556-0.0000-0.0000 ( 10840 PWs) bands (ev): -64.7779 -64.7779 -64.7771 -64.7771 -36.8475 -36.8475 -36.8462 -36.8462 -35.9053 -35.9053 -35.9039 -35.9039 -35.8246 -35.8246 -35.8229 -35.8229 -8.3241 -8.3241 -8.2740 -8.2740 -6.2656 -6.2656 -6.0025 -6.0025 1.5456 1.5456 1.6356 1.6356 1.7442 1.7442 1.9037 1.9037 2.5820 2.5820 3.0805 3.0805 3.2886 3.2886 3.2944 3.2944 4.1345 4.1345 4.2155 4.2155 4.3043 4.3043 4.3341 4.3341 6.4845 6.4845 6.4937 6.4937 6.7979 6.7979 6.8260 6.8260 6.8735 6.8735 6.8930 6.8930 7.6082 7.6082 7.6568 7.6568 k = 0.4667-0.0000-0.0000 ( 10840 PWs) bands (ev): -64.7778 -64.7778 -64.7773 -64.7773 -36.8474 -36.8474 -36.8464 -36.8464 -35.9051 -35.9051 -35.9042 -35.9042 -35.8244 -35.8244 -35.8231 -35.8231 -8.3140 -8.3140 -8.2764 -8.2764 -6.2308 -6.2308 -6.0328 -6.0328 1.5453 1.5453 1.6163 1.6163 1.7548 1.7548 1.8741 1.8741 2.6420 2.6420 3.0172 3.0172 3.2880 3.2880 3.2912 3.2912 4.1498 4.1498 4.2111 4.2111 4.3103 4.3103 4.3350 4.3350 6.4789 6.4789 6.4867 6.4867 6.8011 6.8011 6.8251 6.8251 6.8712 6.8712 6.8840 6.8840 7.6159 7.6159 7.6526 7.6526 k = 0.4778-0.0000-0.0000 ( 10844 PWs) bands (ev): -64.7782 -64.7782 -64.7772 -64.7772 -36.8473 -36.8473 -36.8466 -36.8466 -35.9052 -35.9052 -35.9044 -35.9044 -35.8242 -35.8242 -35.8233 -35.8233 -8.3050 -8.3050 -8.2799 -8.2799 -6.1963 -6.1963 -6.0641 -6.0641 1.5490 1.5490 1.5980 1.5980 1.7684 1.7684 1.8476 1.8476 2.7027 2.7027 2.9537 2.9537 3.2872 3.2872 3.2890 3.2890 4.1636 4.1636 4.2046 4.2046 4.3168 4.3168 4.3343 4.3343 6.4756 6.4756 6.4813 6.4813 6.8034 6.8034 6.8233 6.8233 6.8693 6.8693 6.8776 6.8776 7.6236 7.6236 7.6476 7.6476 k = 0.4889-0.0000-0.0000 ( 10840 PWs) bands (ev): -64.7776 -64.7776 -64.7774 -64.7774 -36.8471 -36.8471 -36.8468 -36.8468 -35.9049 -35.9049 -35.9046 -35.9046 -35.8239 -35.8239 -35.8235 -35.8235 -8.2971 -8.2971 -8.2845 -8.2845 -6.1623 -6.1623 -6.0961 -6.0961 1.5566 1.5566 1.5815 1.5815 1.7845 1.7845 1.8239 1.8239 2.7648 2.7648 2.8902 2.8902 3.2870 3.2870 3.2878 3.2878 4.1761 4.1761 4.1965 4.1965 4.3230 4.3230 4.3320 4.3320 6.4747 6.4747 6.4776 6.4776 6.8082 6.8082 6.8186 6.8186 6.8697 6.8697 6.8730 6.8730 7.6302 7.6302 7.6428 7.6428 k = 0.5000-0.0000-0.0000 ( 10838 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2902 -8.2902 -8.2902 -8.2902 -6.1289 -6.1289 -6.1289 -6.1289 1.5675 1.5675 1.5675 1.5675 1.8030 1.8030 1.8030 1.8030 2.8271 2.8271 2.8271 2.8271 3.2872 3.2872 3.2872 3.2872 4.1870 4.1870 4.1870 4.1870 4.3282 4.3282 4.3282 4.3282 6.4752 6.4752 6.4752 6.4752 6.8134 6.8134 6.8134 6.8134 6.8705 6.8705 6.8705 6.8705 7.6374 7.6374 7.6374 7.6374 k = 0.5000-0.0000-0.0000 ( 10838 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2902 -8.2902 -8.2902 -8.2902 -6.1289 -6.1289 -6.1289 -6.1289 1.5675 1.5675 1.5675 1.5675 1.8030 1.8030 1.8030 1.8030 2.8271 2.8271 2.8271 2.8271 3.2872 3.2872 3.2872 3.2872 4.1870 4.1870 4.1870 4.1870 4.3282 4.3282 4.3282 4.3282 6.4752 6.4752 6.4752 6.4752 6.8134 6.8134 6.8134 6.8134 6.8705 6.8705 6.8705 6.8705 7.6374 7.6374 7.6374 7.6374 k = 0.5000 0.0111-0.0000 ( 10834 PWs) bands (ev): -64.7773 -64.7773 -64.7773 -64.7773 -36.8469 -36.8469 -36.8469 -36.8469 -35.9048 -35.9048 -35.9047 -35.9047 -35.8237 -35.8237 -35.8237 -35.8237 -8.2902 -8.2902 -8.2902 -8.2902 -6.1285 -6.1285 -6.1284 -6.1284 1.5668 1.5668 1.5669 1.5669 1.8006 1.8006 1.8021 1.8021 2.8253 2.8253 2.8259 2.8259 3.2860 3.2860 3.2883 3.2883 4.1806 4.1806 4.1949 4.1949 4.3223 4.3223 4.3360 4.3360 6.4660 6.4660 6.4713 6.4713 6.8132 6.8132 6.8163 6.8163 6.8721 6.8721 6.8739 6.8739 7.6422 7.6422 7.6456 7.6456 k = 0.5000 0.0223-0.0000 ( 10842 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8238 -35.8238 -35.8237 -35.8237 -8.2901 -8.2901 -8.2901 -8.2901 -6.1271 -6.1271 -6.1269 -6.1269 1.5646 1.5646 1.5647 1.5647 1.7951 1.7951 1.7981 1.7981 2.8202 2.8202 2.8212 2.8212 3.2846 3.2846 3.2892 3.2892 4.1757 4.1757 4.2031 4.2031 4.3189 4.3189 4.3452 4.3452 6.4456 6.4456 6.4556 6.4556 6.8132 6.8132 6.8186 6.8186 6.8750 6.8750 6.8782 6.8782 7.6596 7.6596 7.6663 7.6663 k = 0.5000 0.0334-0.0000 ( 10850 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8238 -35.8238 -35.8238 -35.8238 -8.2898 -8.2898 -8.2898 -8.2898 -6.1247 -6.1247 -6.1244 -6.1244 1.5605 1.5605 1.5606 1.5606 1.7873 1.7873 1.7916 1.7916 2.8124 2.8124 2.8138 2.8138 3.2829 3.2829 3.2896 3.2896 4.1721 4.1721 4.2100 4.2100 4.3191 4.3191 4.3555 4.3555 6.4168 6.4168 6.4306 6.4306 6.8144 6.8144 6.8209 6.8209 6.8808 6.8808 6.8847 6.8847 7.6895 7.6895 7.6992 7.6992 k = 0.5000 0.0446-0.0000 ( 10858 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8471 -36.8471 -36.8471 -36.8471 -35.9050 -35.9050 -35.9049 -35.9049 -35.8239 -35.8239 -35.8238 -35.8238 -8.2895 -8.2895 -8.2895 -8.2895 -6.1214 -6.1214 -6.1210 -6.1210 1.5536 1.5536 1.5537 1.5537 1.7780 1.7780 1.7835 1.7835 2.8025 2.8025 2.8042 2.8042 3.2811 3.2811 3.2898 3.2898 4.1693 4.1693 4.2139 4.2139 4.3237 4.3237 4.3666 4.3666 6.3827 6.3827 6.3994 6.3994 6.8161 6.8161 6.8230 6.8230 6.8882 6.8882 6.8924 6.8924 7.7296 7.7296 7.7416 7.7416 k = 0.5000 0.0557-0.0000 ( 10850 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8238 -35.8238 -35.8238 -35.8238 -8.2892 -8.2892 -8.2892 -8.2892 -6.1172 -6.1172 -6.1167 -6.1167 1.5430 1.5430 1.5430 1.5430 1.7686 1.7686 1.7752 1.7752 2.7909 2.7909 2.7927 2.7927 3.2795 3.2795 3.2899 3.2899 4.1668 4.1668 4.2136 4.2136 4.3330 4.3330 4.3779 4.3779 6.3475 6.3475 6.3664 6.3664 6.8194 6.8194 6.8260 6.8260 6.8969 6.8969 6.9009 6.9009 7.7798 7.7798 7.7938 7.7938 k = 0.5000 0.0669-0.0000 ( 10854 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2887 -8.2887 -8.2887 -8.2887 -6.1121 -6.1121 -6.1115 -6.1115 1.5272 1.5272 1.5275 1.5275 1.7606 1.7606 1.7678 1.7678 2.7782 2.7782 2.7800 2.7800 3.2777 3.2777 3.2897 3.2897 4.1637 4.1637 4.2090 4.2090 4.3453 4.3453 4.3887 4.3887 6.3122 6.3122 6.3327 6.3327 6.8209 6.8209 6.8272 6.8272 6.9040 6.9040 6.9077 6.9077 7.8367 7.8367 7.8522 7.8522 k = 0.5000 0.0780-0.0000 ( 10856 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8471 -36.8471 -36.8471 -36.8471 -35.9050 -35.9050 -35.9049 -35.9049 -35.8239 -35.8239 -35.8238 -35.8238 -8.2882 -8.2882 -8.2882 -8.2882 -6.1061 -6.1061 -6.1055 -6.1055 1.5054 1.5054 1.5062 1.5062 1.7553 1.7553 1.7629 1.7629 2.7650 2.7650 2.7664 2.7664 3.2757 3.2757 3.2893 3.2893 4.1596 4.1596 4.2010 4.2010 4.3587 4.3587 4.3980 4.3980 6.2804 6.2804 6.3018 6.3018 6.8229 6.8229 6.8289 6.8289 6.9104 6.9104 6.9139 6.9139 7.8997 7.8997 7.9164 7.9164 k = 0.5000 0.0891-0.0000 ( 10856 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8471 -36.8471 -36.8471 -36.8471 -35.9050 -35.9050 -35.9049 -35.9049 -35.8239 -35.8239 -35.8238 -35.8238 -8.2876 -8.2876 -8.2876 -8.2876 -6.0994 -6.0994 -6.0987 -6.0987 1.4773 1.4773 1.4788 1.4788 1.7534 1.7534 1.7611 1.7611 2.7517 2.7517 2.7526 2.7526 3.2735 3.2735 3.2887 3.2887 4.1542 4.1542 4.1903 4.1903 4.3711 4.3711 4.4049 4.4049 6.2520 6.2520 6.2740 6.2740 6.8266 6.8266 6.8320 6.8320 6.9172 6.9172 6.9201 6.9201 7.9657 7.9657 7.9832 7.9832 k = 0.5000 0.1003-0.0000 ( 10840 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8238 -35.8238 -35.8237 -35.8237 -8.2869 -8.2869 -8.2869 -8.2869 -6.0919 -6.0919 -6.0911 -6.0911 1.4433 1.4433 1.4456 1.4456 1.7551 1.7551 1.7627 1.7627 2.7389 2.7389 2.7391 2.7391 3.2712 3.2712 3.2880 3.2880 4.1471 4.1471 4.1773 4.1773 4.3811 4.3811 4.4085 4.4085 6.2313 6.2313 6.2534 6.2534 6.8318 6.8318 6.8367 6.8367 6.9239 6.9239 6.9264 6.9264 8.0364 8.0364 8.0544 8.0544 k = 0.5000 0.1114-0.0000 ( 10824 PWs) bands (ev): -64.7769 -64.7769 -64.7769 -64.7769 -36.8470 -36.8470 -36.8469 -36.8469 -35.9049 -35.9049 -35.9047 -35.9047 -35.8237 -35.8237 -35.8236 -35.8236 -8.2862 -8.2862 -8.2862 -8.2862 -6.0837 -6.0837 -6.0828 -6.0828 1.4042 1.4042 1.4071 1.4071 1.7601 1.7601 1.7676 1.7676 2.7262 2.7262 2.7270 2.7270 3.2688 3.2688 3.2872 3.2872 4.1380 4.1380 4.1620 4.1620 4.3876 4.3876 4.4082 4.4082 6.2168 6.2168 6.2388 6.2388 6.8371 6.8371 6.8414 6.8414 6.9297 6.9297 6.9315 6.9315 8.1096 8.1096 8.1279 8.1279 k = 0.5000 0.1226-0.0000 ( 10824 PWs) bands (ev): -64.7769 -64.7769 -64.7769 -64.7769 -36.8470 -36.8470 -36.8469 -36.8469 -35.9049 -35.9049 -35.9047 -35.9047 -35.8238 -35.8238 -35.8236 -35.8236 -8.2854 -8.2854 -8.2854 -8.2854 -6.0749 -6.0749 -6.0739 -6.0739 1.3608 1.3608 1.3642 1.3642 1.7680 1.7680 1.7752 1.7752 2.7135 2.7135 2.7156 2.7156 3.2658 3.2658 3.2861 3.2861 4.1264 4.1264 4.1445 4.1445 4.3898 4.3898 4.4035 4.4035 6.2091 6.2091 6.2304 6.2304 6.8416 6.8416 6.8453 6.8453 6.9350 6.9350 6.9361 6.9361 8.1822 8.1822 8.2007 8.2007 k = 0.5000 0.1337-0.0000 ( 10836 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9047 -35.9047 -35.8239 -35.8239 -35.8237 -35.8237 -8.2846 -8.2846 -8.2846 -8.2846 -6.0655 -6.0655 -6.0645 -6.0645 1.3140 1.3140 1.3178 1.3178 1.7783 1.7783 1.7853 1.7853 2.7017 2.7017 2.7052 2.7052 3.2625 3.2625 3.2848 3.2848 4.1122 4.1122 4.1245 4.1245 4.3876 4.3876 4.3945 4.3945 6.2076 6.2076 6.2281 6.2281 6.8451 6.8451 6.8484 6.8484 6.9388 6.9388 6.9393 6.9393 8.2552 8.2552 8.2737 8.2737 k = 0.5000 0.1449-0.0000 ( 10838 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2837 -8.2837 -8.2837 -8.2837 -6.0556 -6.0556 -6.0546 -6.0546 1.2648 1.2648 1.2690 1.2690 1.7906 1.7906 1.7974 1.7974 2.6909 2.6909 2.6961 2.6961 3.2591 3.2591 3.2838 3.2838 4.0948 4.0948 4.1021 4.1021 4.3813 4.3813 4.3818 4.3818 6.2141 6.2141 6.2337 6.2337 6.8492 6.8492 6.8519 6.8519 6.9433 6.9433 6.9434 6.9434 8.3287 8.3287 8.3471 8.3471 k = 0.5000 0.1560-0.0000 ( 10838 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2828 -8.2828 -8.2828 -8.2828 -6.0454 -6.0454 -6.0443 -6.0443 1.2141 1.2141 1.2186 1.2186 1.8046 1.8046 1.8111 1.8111 2.6811 2.6811 2.6882 2.6882 3.2553 3.2553 3.2827 3.2827 4.0740 4.0740 4.0770 4.0770 4.3661 4.3661 4.3715 4.3715 6.2275 6.2275 6.2460 6.2460 6.8542 6.8542 6.8562 6.8562 6.9475 6.9475 6.9484 6.9484 8.4018 8.4018 8.4200 8.4200 k = 0.5000 0.1672-0.0000 ( 10844 PWs) bands (ev): -64.7777 -64.7777 -64.7777 -64.7777 -36.8471 -36.8471 -36.8471 -36.8471 -35.9050 -35.9050 -35.9048 -35.9048 -35.8240 -35.8240 -35.8239 -35.8239 -8.2819 -8.2819 -8.2819 -8.2819 -6.0348 -6.0348 -6.0337 -6.0337 1.1626 1.1626 1.1672 1.1672 1.8199 1.8199 1.8262 1.8262 2.6725 2.6725 2.6817 2.6817 3.2512 3.2512 3.2815 3.2815 4.0490 4.0490 4.0492 4.0492 4.3485 4.3485 4.3590 4.3590 6.2458 6.2458 6.2631 6.2631 6.8579 6.8579 6.8593 6.8593 6.9514 6.9514 6.9530 6.9530 8.4748 8.4748 8.4929 8.4929 k = 0.5000 0.1783-0.0000 ( 10836 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8240 -35.8240 -35.8238 -35.8238 -8.2810 -8.2810 -8.2810 -8.2810 -6.0240 -6.0240 -6.0229 -6.0229 1.1108 1.1108 1.1154 1.1154 1.8364 1.8364 1.8424 1.8424 2.6653 2.6653 2.6767 2.6767 3.2470 3.2470 3.2806 3.2806 4.0182 4.0182 4.0202 4.0202 4.3302 4.3302 4.3447 4.3447 6.2698 6.2698 6.2860 6.2860 6.8629 6.8629 6.8639 6.8639 6.9560 6.9560 6.9581 6.9581 8.5479 8.5479 8.5657 8.5657 k = 0.5000 0.1894-0.0000 ( 10836 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8240 -35.8240 -35.8239 -35.8239 -8.2801 -8.2801 -8.2801 -8.2801 -6.0131 -6.0131 -6.0120 -6.0120 1.0593 1.0593 1.0639 1.0639 1.8539 1.8539 1.8595 1.8595 2.6592 2.6592 2.6731 2.6731 3.2422 3.2422 3.2795 3.2795 3.9845 3.9845 3.9869 3.9869 4.3121 4.3121 4.3293 4.3293 6.2972 6.2972 6.3122 6.3122 6.8674 6.8674 6.8677 6.8677 6.9607 6.9607 6.9635 6.9635 8.6190 8.6190 8.6366 8.6366 k = 0.5000 0.2006-0.0000 ( 10822 PWs) bands (ev): -64.7769 -64.7769 -64.7769 -64.7769 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8240 -35.8240 -35.8238 -35.8238 -8.2792 -8.2792 -8.2791 -8.2791 -6.0022 -6.0022 -6.0011 -6.0011 1.0087 1.0087 1.0133 1.0133 1.8720 1.8720 1.8772 1.8772 2.6547 2.6547 2.6711 2.6711 3.2369 3.2369 3.2784 3.2784 3.9482 3.9482 3.9497 3.9497 4.2950 4.2950 4.3139 4.3139 6.3271 6.3271 6.3409 6.3409 6.8731 6.8731 6.8734 6.8734 6.9675 6.9675 6.9709 6.9709 8.6903 8.6903 8.7076 8.7076 k = 0.5000 0.2117-0.0000 ( 10818 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8239 -35.8239 -35.8238 -35.8238 -8.2783 -8.2783 -8.2782 -8.2782 -5.9913 -5.9913 -5.9902 -5.9902 0.9594 0.9594 0.9638 0.9638 1.8904 1.8904 1.8952 1.8952 2.6515 2.6515 2.6705 2.6705 3.2313 3.2313 3.2773 3.2773 3.9088 3.9088 3.9096 3.9096 4.2792 4.2792 4.2986 4.2986 6.3589 6.3589 6.3716 6.3716 6.8767 6.8767 6.8775 6.8775 6.9734 6.9734 6.9773 6.9773 8.7585 8.7585 8.7758 8.7758 k = 0.5000 0.2229-0.0000 ( 10800 PWs) bands (ev): -64.7761 -64.7761 -64.7761 -64.7761 -36.8470 -36.8470 -36.8469 -36.8469 -35.9048 -35.9048 -35.9046 -35.9046 -35.8238 -35.8238 -35.8237 -35.8237 -8.2774 -8.2774 -8.2773 -8.2773 -5.9806 -5.9806 -5.9795 -5.9795 0.9118 0.9118 0.9161 0.9161 1.9091 1.9091 1.9134 1.9134 2.6500 2.6500 2.6718 2.6718 3.2252 3.2252 3.2761 3.2761 3.8653 3.8653 3.8694 3.8694 4.2652 4.2652 4.2843 4.2843 6.3921 6.3921 6.4039 6.4039 6.8810 6.8810 6.8823 6.8823 6.9803 6.9803 6.9846 6.9846 8.8266 8.8266 8.8445 8.8445 k = 0.5000 0.2340-0.0000 ( 10812 PWs) bands (ev): -64.7765 -64.7765 -64.7765 -64.7765 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8239 -35.8239 -35.8238 -35.8238 -8.2765 -8.2765 -8.2765 -8.2765 -5.9702 -5.9702 -5.9691 -5.9691 0.8662 0.8662 0.8703 0.8703 1.9277 1.9277 1.9315 1.9315 2.6499 2.6499 2.6744 2.6744 3.2185 3.2185 3.2745 3.2745 3.8196 3.8196 3.8280 3.8280 4.2526 4.2526 4.2708 4.2708 6.4221 6.4221 6.4327 6.4327 6.8820 6.8820 6.8837 6.8837 6.9858 6.9858 6.9904 6.9904 8.8887 8.8887 8.9080 8.9080 k = 0.5000 0.2452-0.0000 ( 10812 PWs) bands (ev): -64.7765 -64.7765 -64.7765 -64.7765 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8239 -35.8239 -35.8238 -35.8238 -8.2757 -8.2757 -8.2757 -8.2757 -5.9601 -5.9601 -5.9591 -5.9591 0.8231 0.8231 0.8270 0.8270 1.9460 1.9460 1.9492 1.9492 2.6513 2.6513 2.6785 2.6785 3.2112 3.2112 3.2726 3.2726 3.7730 3.7730 3.7863 3.7863 4.2413 4.2413 4.2582 4.2582 6.4531 6.4531 6.4627 6.4627 6.8849 6.8849 6.8869 6.8869 6.9927 6.9927 6.9974 6.9974 8.9373 8.9373 8.9563 8.9563 k = 0.5000 0.2563-0.0000 ( 10814 PWs) bands (ev): -64.7766 -64.7766 -64.7766 -64.7766 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8239 -35.8239 -35.8238 -35.8238 -8.2749 -8.2749 -8.2749 -8.2749 -5.9506 -5.9506 -5.9496 -5.9496 0.7828 0.7828 0.7865 0.7865 1.9637 1.9637 1.9662 1.9662 2.6545 2.6545 2.6842 2.6842 3.2033 3.2033 3.2701 3.2701 3.7264 3.7264 3.7450 3.7450 4.2314 4.2314 4.2468 4.2468 6.4820 6.4820 6.4907 6.4907 6.8873 6.8873 6.8895 6.8895 7.0002 7.0002 7.0049 7.0049 8.9632 8.9632 8.9743 8.9743 k = 0.5000 0.2674-0.0000 ( 10818 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8240 -35.8240 -35.8239 -35.8239 -8.2742 -8.2742 -8.2742 -8.2742 -5.9416 -5.9416 -5.9407 -5.9407 0.7455 0.7455 0.7488 0.7488 1.9805 1.9805 1.9825 1.9825 2.6595 2.6595 2.6915 2.6915 3.1950 3.1950 3.2668 3.2668 3.6809 3.6809 3.7048 3.7048 4.2230 4.2230 4.2366 4.2366 6.5085 6.5085 6.5161 6.5161 6.8886 6.8886 6.8909 6.8909 7.0075 7.0075 7.0121 7.0121 8.9764 8.9764 8.9832 8.9832 k = 0.5000 0.2786-0.0000 ( 10816 PWs) bands (ev): -64.7766 -64.7766 -64.7766 -64.7766 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8240 -35.8240 -35.8239 -35.8239 -8.2735 -8.2735 -8.2735 -8.2735 -5.9332 -5.9332 -5.9324 -5.9324 0.7115 0.7115 0.7146 0.7146 1.9962 1.9962 1.9977 1.9977 2.6662 2.6662 2.6999 2.6999 3.1865 3.1865 3.2626 3.2626 3.6376 3.6376 3.6664 3.6664 4.2155 4.2155 4.2275 4.2275 6.5331 6.5331 6.5398 6.5398 6.8910 6.8910 6.8933 6.8933 7.0149 7.0149 7.0193 7.0193 8.9858 8.9858 8.9909 8.9909 k = 0.5000 0.2897-0.0000 ( 10832 PWs) bands (ev): -64.7772 -64.7772 -64.7772 -64.7772 -36.8472 -36.8472 -36.8471 -36.8471 -35.9050 -35.9050 -35.9049 -35.9049 -35.8241 -35.8241 -35.8240 -35.8240 -8.2729 -8.2729 -8.2729 -8.2729 -5.9256 -5.9256 -5.9249 -5.9249 0.6810 0.6810 0.6837 0.6837 2.0106 2.0106 2.0115 2.0115 2.6745 2.6745 2.7092 2.7092 3.1776 3.1776 3.2564 3.2564 3.5976 3.5976 3.6304 3.6304 4.2091 4.2091 4.2194 4.2194 6.5536 6.5536 6.5594 6.5594 6.8917 6.8917 6.8939 6.8939 7.0209 7.0209 7.0249 7.0249 8.9926 8.9926 8.9965 8.9965 k = 0.5000 0.3009-0.0000 ( 10824 PWs) bands (ev): -64.7769 -64.7769 -64.7769 -64.7769 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9048 -35.9048 -35.8241 -35.8241 -35.8240 -35.8240 -8.2723 -8.2723 -8.2723 -8.2723 -5.9188 -5.9188 -5.9182 -5.9182 0.6543 0.6543 0.6566 0.6566 2.0234 2.0234 2.0239 2.0239 2.6843 2.6843 2.7190 2.7190 3.1693 3.1693 3.2486 3.2486 3.5622 3.5622 3.5976 3.5976 4.2038 4.2038 4.2125 4.2125 6.5730 6.5730 6.5779 6.5779 6.8932 6.8932 6.8952 6.8952 7.0295 7.0295 7.0331 7.0331 8.9998 8.9998 9.0029 9.0029 k = 0.5000 0.3120-0.0000 ( 10826 PWs) bands (ev): -64.7770 -64.7770 -64.7770 -64.7770 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9048 -35.9048 -35.8241 -35.8241 -35.8240 -35.8240 -8.2719 -8.2719 -8.2719 -8.2719 -5.9130 -5.9130 -5.9124 -5.9124 0.6313 0.6313 0.6333 0.6333 2.0345 2.0345 2.0347 2.0347 2.6952 2.6952 2.7286 2.7286 3.1617 3.1617 3.2380 3.2380 3.5325 3.5325 3.5682 3.5682 4.1995 4.1995 4.2066 4.2066 6.5895 6.5895 6.5935 6.5935 6.8946 6.8946 6.8963 6.8963 7.0359 7.0359 7.0390 7.0390 9.0050 9.0050 9.0075 9.0075 k = 0.5000 0.3232-0.0000 ( 10830 PWs) bands (ev): -64.7771 -64.7771 -64.7771 -64.7771 -36.8472 -36.8472 -36.8471 -36.8471 -35.9050 -35.9050 -35.9049 -35.9049 -35.8241 -35.8241 -35.8241 -35.8241 -8.2715 -8.2715 -8.2715 -8.2715 -5.9081 -5.9081 -5.9076 -5.9076 0.6124 0.6124 0.6140 0.6140 2.0437 2.0437 2.0437 2.0437 2.7068 2.7068 2.7372 2.7372 3.1561 3.1561 3.2253 3.2253 3.5094 3.5094 3.5427 3.5427 4.1961 4.1961 4.2017 4.2017 6.6031 6.6031 6.6063 6.6063 6.8943 6.8943 6.8958 6.8958 7.0405 7.0405 7.0430 7.0430 9.0089 9.0089 9.0108 9.0108 k = 0.5000 0.3343-0.0000 ( 10844 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8472 -36.8472 -36.8472 -36.8472 -35.9051 -35.9051 -35.9050 -35.9050 -35.8242 -35.8242 -35.8241 -35.8241 -8.2712 -8.2712 -8.2712 -8.2712 -5.9042 -5.9042 -5.9039 -5.9039 0.5975 0.5975 0.5987 0.5987 2.0508 2.0508 2.0509 2.0509 2.7183 2.7183 2.7438 2.7438 3.1532 3.1532 3.2106 3.2106 3.4932 3.4932 3.5211 3.5211 4.1937 4.1937 4.1979 4.1979 6.6119 6.6119 6.6143 6.6143 6.8940 6.8940 6.8951 6.8951 7.0433 7.0433 7.0452 7.0452 9.0114 9.0114 9.0128 9.0128 k = 0.5000 0.3454-0.0000 ( 10848 PWs) bands (ev): -64.7777 -64.7777 -64.7777 -64.7777 -36.8473 -36.8473 -36.8472 -36.8472 -35.9051 -35.9051 -35.9050 -35.9050 -35.8242 -35.8242 -35.8242 -35.8242 -8.2710 -8.2710 -8.2710 -8.2710 -5.9014 -5.9014 -5.9012 -5.9012 0.5869 0.5869 0.5877 0.5877 2.0559 2.0559 2.0561 2.0561 2.7290 2.7290 2.7475 2.7475 3.1538 3.1538 3.1950 3.1950 3.4838 3.4838 3.5039 3.5039 4.1921 4.1921 4.1948 4.1948 6.6199 6.6199 6.6215 6.6215 6.8943 6.8943 6.8950 6.8950 7.0463 7.0463 7.0476 7.0476 9.0134 9.0134 9.0143 9.0143 k = 0.5000 0.3566-0.0000 ( 10864 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9051 -35.9051 -35.8243 -35.8243 -35.8243 -35.8243 -8.2708 -8.2708 -8.2708 -8.2708 -5.8997 -5.8997 -5.8995 -5.8995 0.5805 0.5805 0.5809 0.5809 2.0590 2.0590 2.0591 2.0591 2.7381 2.7381 2.7478 2.7478 3.1584 3.1584 3.1799 3.1799 3.4807 3.4807 3.4913 3.4913 4.1913 4.1913 4.1927 4.1927 6.6239 6.6239 6.6247 6.6247 6.8932 6.8932 6.8936 6.8936 7.0468 7.0468 7.0475 7.0475 9.0147 9.0147 9.0151 9.0151 k = 0.5000 0.3677-0.0000 ( 10864 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9052 -35.9052 -35.8243 -35.8243 -35.8243 -35.8243 -8.2708 -8.2708 -8.2708 -8.2708 -5.8990 -5.8990 -5.8990 -5.8990 0.5785 0.5785 0.5785 0.5785 2.0601 2.0601 2.0601 2.0601 2.7446 2.7446 2.7446 2.7446 3.1674 3.1674 3.1674 3.1674 3.4835 3.4835 3.4835 3.4835 4.1915 4.1915 4.1915 4.1915 6.6255 6.6255 6.6255 6.6255 6.8932 6.8932 6.8932 6.8932 7.0479 7.0479 7.0479 7.0479 9.0154 9.0154 9.0154 9.0154 k = 0.5000 0.3677-0.0000 ( 10864 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9052 -35.9052 -35.8243 -35.8243 -35.8243 -35.8243 -8.2708 -8.2708 -8.2708 -8.2708 -5.8990 -5.8990 -5.8990 -5.8990 0.5785 0.5785 0.5785 0.5785 2.0601 2.0601 2.0601 2.0601 2.7446 2.7446 2.7446 2.7446 3.1674 3.1674 3.1674 3.1674 3.4835 3.4835 3.4835 3.4835 4.1915 4.1915 4.1915 4.1915 6.6255 6.6255 6.6255 6.6255 6.8932 6.8932 6.8932 6.8932 7.0479 7.0479 7.0479 7.0479 9.0154 9.0154 9.0154 9.0154 k = 0.4889 0.3677-0.0000 ( 10860 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8473 -36.8473 -36.8473 -36.8473 -35.9051 -35.9051 -35.9051 -35.9051 -35.8243 -35.8243 -35.8243 -35.8243 -8.2714 -8.2714 -8.2713 -8.2713 -5.8999 -5.8999 -5.8996 -5.8996 0.5805 0.5805 0.5813 0.5813 2.0574 2.0574 2.0649 2.0649 2.7368 2.7368 2.7442 2.7442 3.1649 3.1649 3.1681 3.1681 3.4856 3.4856 3.4897 3.4897 4.1920 4.1920 4.1927 4.1927 6.6233 6.6233 6.6257 6.6257 6.8952 6.8952 6.8957 6.8957 7.0470 7.0470 7.0497 7.0497 9.0128 9.0128 9.0150 9.0150 k = 0.4778 0.3677-0.0000 ( 10854 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8473 -36.8473 -36.8472 -36.8472 -35.9051 -35.9051 -35.9050 -35.9050 -35.8242 -35.8242 -35.8242 -35.8242 -8.2730 -8.2730 -8.2727 -8.2727 -5.9021 -5.9021 -5.9017 -5.9017 0.5871 0.5871 0.5887 0.5887 2.0570 2.0570 2.0720 2.0720 2.7213 2.7213 2.7357 2.7357 3.1614 3.1614 3.1667 3.1667 3.4956 3.4956 3.5031 3.5031 4.1940 4.1940 4.1955 4.1955 6.6208 6.6208 6.6253 6.6253 6.9001 6.9001 6.9012 6.9012 7.0459 7.0459 7.0513 7.0513 9.0053 9.0053 9.0095 9.0095 k = 0.4667 0.3677-0.0000 ( 10850 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8472 -36.8472 -36.8472 -36.8472 -35.9050 -35.9050 -35.9049 -35.9049 -35.8242 -35.8242 -35.8242 -35.8242 -8.2756 -8.2756 -8.2752 -8.2752 -5.9058 -5.9058 -5.9051 -5.9051 0.5983 0.5983 0.6008 0.6008 2.0586 2.0586 2.0814 2.0814 2.6989 2.6989 2.7194 2.7194 3.1577 3.1577 3.1634 3.1634 3.5131 3.5131 3.5235 3.5235 4.1975 4.1975 4.1998 4.1998 6.6157 6.6157 6.6222 6.6222 6.9062 6.9062 6.9081 6.9081 7.0437 7.0437 7.0517 7.0517 8.9968 8.9968 9.0031 9.0031 k = 0.4556 0.3677-0.0000 ( 10830 PWs) bands (ev): -64.7771 -64.7771 -64.7771 -64.7771 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9046 -35.9046 -35.8242 -35.8242 -35.8241 -35.8241 -8.2791 -8.2791 -8.2787 -8.2787 -5.9108 -5.9108 -5.9098 -5.9098 0.6143 0.6143 0.6176 0.6176 2.0623 2.0623 2.0930 2.0930 2.6706 2.6706 2.6963 2.6963 3.1544 3.1544 3.1589 3.1589 3.5365 3.5365 3.5493 3.5493 4.2023 4.2023 4.2055 4.2055 6.6101 6.6101 6.6183 6.6183 6.9152 6.9152 6.9182 6.9182 7.0436 7.0436 7.0542 7.0542 8.9858 8.9858 8.9942 8.9942 k = 0.4444 0.3677-0.0000 ( 10818 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8469 -36.8469 -36.8469 -36.8469 -35.9045 -35.9045 -35.9044 -35.9044 -35.8242 -35.8242 -35.8241 -35.8241 -8.2837 -8.2837 -8.2832 -8.2832 -5.9171 -5.9171 -5.9160 -5.9160 0.6346 0.6346 0.6387 0.6387 2.0679 2.0679 2.1069 2.1069 2.6372 2.6372 2.6675 2.6675 3.1518 3.1518 3.1535 3.1535 3.5645 3.5645 3.5792 3.5792 4.2083 4.2083 4.2124 4.2124 6.6026 6.6026 6.6122 6.6122 6.9249 6.9249 6.9296 6.9296 7.0416 7.0416 7.0549 7.0549 8.9722 8.9722 8.9826 8.9826 k = 0.4333 0.3677-0.0000 ( 10818 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8468 -36.8468 -36.8468 -36.8468 -35.9044 -35.9044 -35.9042 -35.9042 -35.8243 -35.8243 -35.8241 -35.8241 -8.2892 -8.2892 -8.2886 -8.2886 -5.9248 -5.9248 -5.9234 -5.9234 0.6591 0.6591 0.6640 0.6640 2.0751 2.0751 2.1228 2.1228 2.5998 2.5998 2.6343 2.6343 3.1476 3.1476 3.1498 3.1498 3.5953 3.5953 3.6118 3.6118 4.2151 4.2151 4.2202 4.2202 6.5959 6.5959 6.6066 6.6066 6.9334 6.9334 6.9400 6.9400 7.0390 7.0390 7.0551 7.0551 8.9538 8.9538 8.9662 8.9662 k = 0.4222 0.3677-0.0000 ( 10828 PWs) bands (ev): -64.7771 -64.7771 -64.7771 -64.7771 -36.8468 -36.8468 -36.8467 -36.8467 -35.9043 -35.9043 -35.9041 -35.9041 -35.8243 -35.8243 -35.8242 -35.8242 -8.2957 -8.2957 -8.2950 -8.2950 -5.9336 -5.9336 -5.9320 -5.9320 0.6876 0.6876 0.6934 0.6934 2.0838 2.0838 2.1410 2.1410 2.5594 2.5594 2.5981 2.5981 3.1414 3.1414 3.1483 3.1483 3.6284 3.6284 3.6467 3.6467 4.2224 4.2224 4.2286 4.2286 6.5884 6.5884 6.6000 6.6000 6.9400 6.9400 6.9489 6.9489 7.0358 7.0358 7.0548 7.0548 8.9333 8.9333 8.9476 8.9476 k = 0.4111 0.3677-0.0000 ( 10846 PWs) bands (ev): -64.7777 -64.7777 -64.7777 -64.7777 -36.8468 -36.8468 -36.8467 -36.8467 -35.9042 -35.9042 -35.9040 -35.9040 -35.8245 -35.8245 -35.8243 -35.8243 -8.3030 -8.3030 -8.3022 -8.3022 -5.9436 -5.9436 -5.9418 -5.9418 0.7199 0.7199 0.7266 0.7266 2.0935 2.0935 2.1610 2.1610 2.5168 2.5168 2.5601 2.5601 3.1352 3.1352 3.1473 3.1473 3.6630 3.6630 3.6831 3.6831 4.2299 4.2299 4.2375 4.2375 6.5819 6.5819 6.5942 6.5942 6.9454 6.9454 6.9567 6.9567 7.0318 7.0318 7.0535 7.0535 8.9100 8.9100 8.9261 8.9261 k = 0.4000 0.3677-0.0000 ( 10834 PWs) bands (ev): -64.7773 -64.7773 -64.7773 -64.7773 -36.8466 -36.8466 -36.8465 -36.8465 -35.9039 -35.9039 -35.9037 -35.9037 -35.8245 -35.8245 -35.8242 -35.8242 -8.3112 -8.3112 -8.3103 -8.3103 -5.9547 -5.9547 -5.9527 -5.9527 0.7560 0.7560 0.7636 0.7636 2.1038 2.1038 2.1830 2.1830 2.4732 2.4732 2.5220 2.5220 3.1296 3.1296 3.1471 3.1471 3.6990 3.6990 3.7212 3.7212 4.2377 4.2377 4.2466 4.2466 6.5786 6.5786 6.5915 6.5915 6.9530 6.9530 6.9664 6.9664 7.0304 7.0304 7.0541 7.0541 8.8872 8.8872 8.9050 8.9050 k = 0.3889 0.3677-0.0000 ( 10838 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8465 -36.8465 -36.8464 -36.8464 -35.9037 -35.9037 -35.9034 -35.9034 -35.8245 -35.8245 -35.8243 -35.8243 -8.3202 -8.3202 -8.3192 -8.3192 -5.9668 -5.9668 -5.9646 -5.9646 0.7953 0.7953 0.8039 0.8039 2.1137 2.1137 2.2060 2.2060 2.4296 2.4296 2.4851 2.4851 3.1241 3.1241 3.1473 3.1473 3.7353 3.7353 3.7599 3.7599 4.2450 4.2450 4.2556 4.2556 6.5757 6.5757 6.5889 6.5889 6.9570 6.9570 6.9721 6.9721 7.0294 7.0294 7.0545 7.0545 8.8620 8.8620 8.8814 8.8814 k = 0.3778 0.3677-0.0000 ( 10850 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8464 -36.8464 -36.8463 -36.8463 -35.9035 -35.9035 -35.9032 -35.9032 -35.8246 -35.8246 -35.8244 -35.8244 -8.3299 -8.3299 -8.3288 -8.3288 -5.9798 -5.9798 -5.9774 -5.9774 0.8375 0.8375 0.8471 0.8471 2.1218 2.1218 2.2286 2.2286 2.3883 2.3883 2.4515 2.4515 3.1188 3.1188 3.1478 3.1478 3.7719 3.7719 3.7990 3.7990 4.2520 4.2520 4.2643 4.2643 6.5733 6.5733 6.5868 6.5868 6.9590 6.9590 6.9744 6.9744 7.0299 7.0299 7.0548 7.0548 8.8346 8.8346 8.8555 8.8555 k = 0.3667 0.3677-0.0000 ( 10850 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8462 -36.8462 -36.8462 -36.8462 -35.9032 -35.9032 -35.9029 -35.9029 -35.8247 -35.8247 -35.8244 -35.8244 -8.3403 -8.3403 -8.3392 -8.3392 -5.9936 -5.9936 -5.9911 -5.9911 0.8824 0.8824 0.8929 0.8929 2.1263 2.1263 2.2453 2.2453 2.3551 2.3551 2.4238 2.4238 3.1140 3.1140 3.1490 3.1490 3.8085 3.8085 3.8386 3.8386 4.2583 4.2583 4.2725 4.2725 6.5736 6.5736 6.5872 6.5872 6.9602 6.9602 6.9746 6.9746 7.0337 7.0337 7.0567 7.0567 8.8074 8.8074 8.8296 8.8296 k = 0.3556 0.3677-0.0000 ( 10852 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8461 -36.8461 -36.8460 -36.8460 -35.9030 -35.9030 -35.9026 -35.9026 -35.8247 -35.8247 -35.8244 -35.8244 -8.3513 -8.3513 -8.3502 -8.3502 -6.0081 -6.0081 -6.0054 -6.0054 0.9293 0.9293 0.9408 0.9408 2.1248 2.1248 2.2419 2.2419 2.3452 2.3452 2.4048 2.4048 3.1098 3.1098 3.1510 3.1510 3.8450 3.8450 3.8781 3.8781 4.2639 4.2639 4.2801 4.2801 6.5751 6.5751 6.5887 6.5887 6.9592 6.9592 6.9720 6.9720 7.0365 7.0365 7.0570 7.0570 8.7809 8.7809 8.8043 8.8043 k = 0.3444 0.3677-0.0000 ( 10854 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8459 -36.8459 -36.8459 -36.8459 -35.9026 -35.9026 -35.9022 -35.9022 -35.8248 -35.8248 -35.8245 -35.8245 -8.3629 -8.3629 -8.3617 -8.3617 -6.0232 -6.0232 -6.0205 -6.0205 0.9778 0.9778 0.9904 0.9904 2.1154 2.1154 2.2141 2.2141 2.3627 2.3627 2.3966 2.3966 3.1060 3.1060 3.1534 3.1534 3.8809 3.8809 3.9172 3.9172 4.2687 4.2687 4.2870 4.2870 6.5789 6.5789 6.5924 6.5924 6.9564 6.9564 6.9675 6.9675 7.0412 7.0412 7.0587 7.0587 8.7538 8.7538 8.7782 8.7782 k = 0.3333 0.3677-0.0000 ( 10860 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8457 -36.8457 -36.8457 -36.8457 -35.9023 -35.9023 -35.9019 -35.9019 -35.8250 -35.8250 -35.8246 -35.8246 -8.3751 -8.3751 -8.3738 -8.3738 -6.0389 -6.0389 -6.0360 -6.0360 1.0271 1.0271 1.0407 1.0407 2.0984 2.0984 2.1774 2.1774 2.3931 2.3931 2.3997 2.3997 3.1027 3.1027 3.1567 3.1567 3.9159 3.9159 3.9554 3.9554 4.2728 4.2728 4.2933 4.2933 6.5843 6.5843 6.5976 6.5976 6.9510 6.9510 6.9605 6.9605 7.0453 7.0453 7.0599 7.0599 8.7277 8.7277 8.7530 8.7530 k = 0.3222 0.3677-0.0000 ( 10884 PWs) bands (ev): -64.7791 -64.7791 -64.7791 -64.7791 -36.8457 -36.8457 -36.8456 -36.8456 -35.9021 -35.9021 -35.9017 -35.9017 -35.8251 -35.8251 -35.8248 -35.8248 -8.3877 -8.3877 -8.3863 -8.3863 -6.0550 -6.0550 -6.0521 -6.0521 1.0764 1.0764 1.0911 1.0911 2.0758 2.0758 2.1394 2.1394 2.4123 2.4123 2.4291 2.4291 3.1000 3.1000 3.1609 3.1609 3.9493 3.9493 3.9920 3.9920 4.2765 4.2765 4.2991 4.2991 6.5899 6.5899 6.6031 6.6031 6.9442 6.9442 6.9525 6.9525 7.0471 7.0471 7.0590 7.0590 8.6995 8.6995 8.7255 8.7255 k = 0.3111 0.3677-0.0000 ( 10880 PWs) bands (ev): -64.7790 -64.7790 -64.7790 -64.7790 -36.8454 -36.8454 -36.8454 -36.8454 -35.9017 -35.9017 -35.9013 -35.9013 -35.8252 -35.8252 -35.8248 -35.8248 -8.4006 -8.4006 -8.3993 -8.3993 -6.0715 -6.0715 -6.0685 -6.0685 1.1251 1.1251 1.1407 1.1407 2.0506 2.0506 2.1031 2.1031 2.4327 2.4327 2.4687 2.4687 3.0986 3.0986 3.1669 3.1669 3.9815 3.9815 4.0269 4.0269 4.2807 4.2807 4.3049 4.3049 6.5980 6.5980 6.6110 6.6110 6.9384 6.9384 6.9456 6.9456 7.0509 7.0509 7.0601 7.0601 8.6759 8.6759 8.7024 8.7024 k = 0.3000 0.3677-0.0000 ( 10872 PWs) bands (ev): -64.7787 -64.7787 -64.7787 -64.7787 -36.8452 -36.8452 -36.8451 -36.8451 -35.9012 -35.9012 -35.9008 -35.9008 -35.8253 -35.8253 -35.8249 -35.8249 -8.4139 -8.4139 -8.4125 -8.4125 -6.0882 -6.0882 -6.0851 -6.0851 1.1718 1.1718 1.1883 1.1883 2.0256 2.0256 2.0702 2.0702 2.4585 2.4585 2.5108 2.5108 3.0985 3.0985 3.1746 3.1746 4.0117 4.0117 4.0588 4.0588 4.2858 4.2858 4.3109 4.3109 6.6065 6.6065 6.6193 6.6193 6.9327 6.9327 6.9394 6.9394 7.0536 7.0536 7.0604 7.0604 8.6541 8.6541 8.6810 8.6810 k = 0.2889 0.3677-0.0000 ( 10868 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8450 -36.8450 -36.8449 -36.8449 -35.9008 -35.9008 -35.9004 -35.9004 -35.8253 -35.8253 -35.8249 -35.8249 -8.4274 -8.4274 -8.4260 -8.4260 -6.1051 -6.1051 -6.1019 -6.1019 1.2153 1.2153 1.2324 1.2324 2.0031 2.0031 2.0418 2.0418 2.4880 2.4880 2.5549 2.5549 3.0997 3.0997 3.1844 3.1844 4.0388 4.0388 4.0860 4.0860 4.2931 4.2931 4.3176 4.3176 6.6157 6.6157 6.6283 6.6283 6.9261 6.9261 6.9326 6.9326 7.0558 7.0558 7.0606 7.0606 8.6332 8.6332 8.6603 8.6603 k = 0.2778 0.3677-0.0000 ( 10856 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8447 -36.8447 -36.8446 -36.8446 -35.9003 -35.9003 -35.8999 -35.8999 -35.8253 -35.8253 -35.8249 -35.8249 -8.4411 -8.4411 -8.4397 -8.4397 -6.1220 -6.1220 -6.1189 -6.1189 1.2542 1.2542 1.2717 1.2717 1.9853 1.9853 2.0194 2.0194 2.5204 2.5204 2.6007 2.6007 3.1029 3.1029 3.1969 3.1969 4.0626 4.0626 4.1075 4.1075 4.3040 4.3040 4.3257 4.3257 6.6248 6.6248 6.6374 6.6374 6.9196 6.9196 6.9261 6.9261 7.0582 7.0582 7.0614 7.0614 8.6157 8.6157 8.6430 8.6430 k = 0.2667 0.3677-0.0000 ( 10856 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8445 -36.8445 -36.8444 -36.8444 -35.8999 -35.8999 -35.8995 -35.8995 -35.8254 -35.8254 -35.8249 -35.8249 -8.4549 -8.4549 -8.4535 -8.4535 -6.1389 -6.1389 -6.1358 -6.1358 1.2867 1.2867 1.3041 1.3041 1.9739 1.9739 2.0042 2.0042 2.5547 2.5547 2.6475 2.6475 3.1083 3.1083 3.2123 3.2123 4.0823 4.0823 4.1221 4.1221 4.3190 4.3190 4.3355 4.3355 6.6322 6.6322 6.6449 6.6449 6.9126 6.9126 6.9194 6.9194 7.0584 7.0584 7.0602 7.0602 8.6003 8.6003 8.6275 8.6275 k = 0.2556 0.3677-0.0000 ( 10860 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8443 -36.8443 -36.8442 -36.8442 -35.8995 -35.8995 -35.8991 -35.8991 -35.8255 -35.8255 -35.8250 -35.8250 -8.4688 -8.4688 -8.4674 -8.4674 -6.1558 -6.1558 -6.1526 -6.1526 1.3117 1.3117 1.3285 1.3285 1.9707 1.9707 1.9974 1.9974 2.5898 2.5898 2.6945 2.6945 3.1167 3.1167 3.2311 3.2311 4.0976 4.0976 4.1298 4.1298 4.3381 4.3381 4.3473 4.3473 6.6377 6.6377 6.6505 6.6505 6.9047 6.9047 6.9123 6.9123 7.0592 7.0592 7.0603 7.0603 8.5874 8.5874 8.6145 8.6145 k = 0.2444 0.3677-0.0000 ( 10866 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8441 -36.8441 -36.8440 -36.8440 -35.8991 -35.8991 -35.8987 -35.8987 -35.8256 -35.8256 -35.8251 -35.8251 -8.4826 -8.4826 -8.4812 -8.4812 -6.1724 -6.1724 -6.1693 -6.1693 1.3283 1.3283 1.3438 1.3438 1.9763 1.9763 1.9995 1.9995 2.6252 2.6252 2.7409 2.7409 3.1290 3.1290 3.2540 3.2540 4.1086 4.1086 4.1317 4.1317 4.3601 4.3601 4.3611 4.3611 6.6412 6.6412 6.6543 6.6543 6.8969 6.8969 6.9056 6.9056 7.0602 7.0602 7.0611 7.0611 8.5775 8.5775 8.6043 8.6043 k = 0.2333 0.3677-0.0000 ( 10866 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8439 -36.8439 -36.8438 -36.8438 -35.8987 -35.8987 -35.8982 -35.8982 -35.8257 -35.8257 -35.8252 -35.8252 -8.4963 -8.4963 -8.4949 -8.4949 -6.1888 -6.1888 -6.1857 -6.1857 1.3362 1.3362 1.3501 1.3501 1.9907 1.9907 2.0104 2.0104 2.6603 2.6603 2.7857 2.7857 3.1461 3.1461 3.2814 3.2814 4.1159 4.1159 4.1292 4.1292 4.3764 4.3764 4.3838 4.3838 6.6423 6.6423 6.6559 6.6559 6.8911 6.8911 6.9009 6.9009 7.0621 7.0621 7.0632 7.0632 8.5714 8.5714 8.5978 8.5978 k = 0.2222 0.3677-0.0000 ( 10870 PWs) bands (ev): -64.7788 -64.7788 -64.7788 -64.7788 -36.8437 -36.8437 -36.8436 -36.8436 -35.8983 -35.8983 -35.8978 -35.8978 -35.8258 -35.8258 -35.8253 -35.8253 -8.5099 -8.5099 -8.5085 -8.5085 -6.2049 -6.2049 -6.2018 -6.2018 1.3360 1.3360 1.3482 1.3482 2.0126 2.0126 2.0291 2.0291 2.6945 2.6945 2.8276 2.8276 3.1690 3.1690 3.3138 3.3138 4.1203 4.1203 4.1236 4.1236 4.3926 4.3926 4.4077 4.4077 6.6406 6.6406 6.6549 6.6549 6.8844 6.8844 6.8957 6.8957 7.0651 7.0651 7.0669 7.0669 8.5681 8.5681 8.5940 8.5940 k = 0.2111 0.3677-0.0000 ( 10866 PWs) bands (ev): -64.7787 -64.7787 -64.7787 -64.7787 -36.8434 -36.8434 -36.8434 -36.8434 -35.8978 -35.8978 -35.8974 -35.8974 -35.8258 -35.8258 -35.8254 -35.8254 -8.5233 -8.5233 -8.5219 -8.5219 -6.2206 -6.2206 -6.2176 -6.2176 1.3291 1.3291 1.3394 1.3394 2.0407 2.0407 2.0542 2.0542 2.7274 2.7274 2.8656 2.8656 3.1989 3.1989 3.3516 3.3516 4.1160 4.1160 4.1227 4.1227 4.4092 4.4092 4.4311 4.4311 6.6362 6.6362 6.6513 6.6513 6.8787 6.8787 6.8913 6.8913 7.0701 7.0701 7.0727 7.0727 8.5685 8.5685 8.5938 8.5938 k = 0.2000 0.3677-0.0000 ( 10862 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8432 -36.8432 -36.8432 -36.8432 -35.8974 -35.8974 -35.8970 -35.8970 -35.8259 -35.8259 -35.8254 -35.8254 -8.5363 -8.5363 -8.5350 -8.5350 -6.2358 -6.2358 -6.2329 -6.2329 1.3169 1.3169 1.3256 1.3256 2.0726 2.0726 2.0836 2.0836 2.7591 2.7591 2.8994 2.8994 3.2352 3.2352 3.3940 3.3940 4.1072 4.1072 4.1241 4.1241 4.4251 4.4251 4.4530 4.4530 6.6281 6.6281 6.6440 6.6440 6.8736 6.8736 6.8874 6.8874 7.0764 7.0764 7.0802 7.0802 8.5740 8.5740 8.5987 8.5987 k = 0.1889 0.3677-0.0000 ( 10874 PWs) bands (ev): -64.7790 -64.7790 -64.7790 -64.7790 -36.8430 -36.8430 -36.8430 -36.8430 -35.8970 -35.8970 -35.8966 -35.8966 -35.8260 -35.8260 -35.8256 -35.8256 -8.5490 -8.5490 -8.5478 -8.5478 -6.2505 -6.2505 -6.2477 -6.2477 1.3009 1.3009 1.3082 1.3082 2.1070 2.1070 2.1158 2.1158 2.7893 2.7893 2.9290 2.9290 3.2772 3.2772 3.4406 3.4406 4.0978 4.0978 4.1251 4.1251 4.4399 4.4399 4.4727 4.4727 6.6149 6.6149 6.6317 6.6317 6.8674 6.8674 6.8825 6.8825 7.0831 7.0831 7.0882 7.0882 8.5826 8.5826 8.6064 8.6064 k = 0.1778 0.3677-0.0000 ( 10878 PWs) bands (ev): -64.7792 -64.7792 -64.7792 -64.7792 -36.8429 -36.8429 -36.8428 -36.8428 -35.8967 -35.8967 -35.8962 -35.8962 -35.8261 -35.8261 -35.8257 -35.8257 -8.5614 -8.5614 -8.5601 -8.5601 -6.2647 -6.2647 -6.2620 -6.2620 1.2824 1.2824 1.2884 1.2884 2.1423 2.1423 2.1494 2.1494 2.8183 2.8183 2.9552 2.9552 3.3236 3.3236 3.4910 3.4910 4.0891 4.0891 4.1274 4.1274 4.4533 4.4533 4.4903 4.4903 6.5988 6.5988 6.6163 6.6163 6.8623 6.8623 6.8788 6.8788 7.0914 7.0914 7.0979 7.0979 8.5949 8.5949 8.6178 8.6178 k = 0.1667 0.3677-0.0000 ( 10874 PWs) bands (ev): -64.7790 -64.7790 -64.7790 -64.7790 -36.8426 -36.8426 -36.8426 -36.8426 -35.8962 -35.8962 -35.8958 -35.8958 -35.8262 -35.8262 -35.8258 -35.8258 -8.5732 -8.5732 -8.5720 -8.5720 -6.2782 -6.2782 -6.2756 -6.2756 1.2624 1.2624 1.2675 1.2675 2.1773 2.1773 2.1829 2.1829 2.8463 2.8463 2.9791 2.9791 3.3720 3.3720 3.5430 3.5430 4.0821 4.0821 4.1320 4.1320 4.4649 4.4649 4.5054 4.5054 6.5814 6.5814 6.5994 6.5994 6.8594 6.8594 6.8768 6.8768 7.1017 7.1017 7.1096 7.1096 8.6111 8.6111 8.6329 8.6329 k = 0.1556 0.3677-0.0000 ( 10866 PWs) bands (ev): -64.7788 -64.7788 -64.7788 -64.7788 -36.8424 -36.8424 -36.8424 -36.8424 -35.8959 -35.8959 -35.8955 -35.8955 -35.8261 -35.8261 -35.8258 -35.8258 -8.5846 -8.5846 -8.5834 -8.5834 -6.2911 -6.2911 -6.2886 -6.2886 1.2419 1.2419 1.2461 1.2461 2.2107 2.2107 2.2151 2.2151 2.8740 2.8740 3.0021 3.0021 3.4204 3.4204 3.5953 3.5953 4.0780 4.0780 4.1400 4.1400 4.4744 4.4744 4.5178 4.5178 6.5606 6.5606 6.5791 6.5791 6.8579 6.8579 6.8761 6.8761 7.1128 7.1128 7.1219 7.1219 8.6321 8.6321 8.6527 8.6527 k = 0.1444 0.3677-0.0000 ( 10870 PWs) bands (ev): -64.7789 -64.7789 -64.7789 -64.7789 -36.8423 -36.8423 -36.8422 -36.8422 -35.8955 -35.8955 -35.8951 -35.8951 -35.8263 -35.8263 -35.8259 -35.8259 -8.5954 -8.5954 -8.5943 -8.5943 -6.3033 -6.3033 -6.3009 -6.3009 1.2212 1.2212 1.2247 1.2247 2.2422 2.2422 2.2458 2.2458 2.9017 2.9017 3.0246 3.0246 3.4660 3.4660 3.6445 3.6445 4.0783 4.0783 4.1522 4.1522 4.4821 4.4821 4.5279 4.5279 6.5363 6.5363 6.5550 6.5550 6.8565 6.8565 6.8751 6.8751 7.1229 7.1229 7.1331 7.1331 8.6569 8.6569 8.6761 8.6761 k = 0.1333 0.3677-0.0000 ( 10870 PWs) bands (ev): -64.7789 -64.7789 -64.7789 -64.7789 -36.8421 -36.8421 -36.8421 -36.8421 -35.8951 -35.8951 -35.8948 -35.8948 -35.8263 -35.8263 -35.8260 -35.8260 -8.6055 -8.6055 -8.6045 -8.6045 -6.3147 -6.3147 -6.3125 -6.3125 1.2009 1.2009 1.2038 1.2038 2.2715 2.2715 2.2744 2.2744 2.9295 2.9295 3.0474 3.0474 3.5075 3.5075 3.6884 3.6884 4.0856 4.0856 4.1698 4.1698 4.4879 4.4879 4.5357 4.5357 6.5095 6.5095 6.5281 6.5281 6.8552 6.8552 6.8742 6.8742 7.1334 7.1334 7.1445 7.1445 8.6854 8.6854 8.7031 8.7031 k = 0.1222 0.3677-0.0000 ( 10884 PWs) bands (ev): -64.7794 -64.7794 -64.7794 -64.7794 -36.8420 -36.8420 -36.8420 -36.8420 -35.8949 -35.8949 -35.8946 -35.8946 -35.8264 -35.8264 -35.8261 -35.8261 -8.6151 -8.6151 -8.6141 -8.6141 -6.3253 -6.3253 -6.3233 -6.3233 1.1812 1.1812 1.1837 1.1837 2.2980 2.2980 2.3003 2.3003 2.9572 2.9572 3.0699 3.0699 3.5428 3.5428 3.7230 3.7230 4.1019 4.1019 4.1932 4.1932 4.4919 4.4919 4.5414 4.5414 6.4799 6.4799 6.4984 6.4984 6.8548 6.8548 6.8736 6.8736 7.1430 7.1430 7.1546 7.1546 8.7151 8.7151 8.7311 8.7311 k = 0.1111 0.3677-0.0000 ( 10892 PWs) bands (ev): -64.7797 -64.7797 -64.7797 -64.7797 -36.8419 -36.8419 -36.8419 -36.8419 -35.8947 -35.8947 -35.8943 -35.8943 -35.8265 -35.8265 -35.8262 -35.8262 -8.6239 -8.6239 -8.6230 -8.6230 -6.3351 -6.3351 -6.3332 -6.3332 1.1627 1.1627 1.1648 1.1648 2.3216 2.3216 2.3236 2.3236 2.9861 2.9861 3.0936 3.0936 3.5713 3.5713 3.7464 3.7464 4.1284 4.1284 4.2225 4.2225 4.4947 4.4947 4.5457 4.5457 6.4482 6.4482 6.4661 6.4661 6.8548 6.8548 6.8732 6.8732 7.1520 7.1520 7.1639 7.1639 8.7496 8.7496 8.7638 8.7638 k = 0.1000 0.3677-0.0000 ( 10898 PWs) bands (ev): -64.7799 -64.7799 -64.7799 -64.7799 -36.8418 -36.8418 -36.8418 -36.8418 -35.8944 -35.8944 -35.8941 -35.8941 -35.8266 -35.8266 -35.8263 -35.8263 -8.6320 -8.6320 -8.6312 -8.6312 -6.3441 -6.3441 -6.3423 -6.3423 1.1455 1.1455 1.1473 1.1473 2.3423 2.3423 2.3439 2.3439 3.0150 3.0150 3.1171 3.1171 3.5929 3.5929 3.7584 3.7584 4.1643 4.1643 4.2569 4.2569 4.4965 4.4965 4.5487 4.5487 6.4157 6.4157 6.4329 6.4329 6.8575 6.8575 6.8751 6.8751 7.1607 7.1607 7.1725 7.1725 8.7853 8.7853 8.7974 8.7974 k = 0.0889 0.3677-0.0000 ( 10894 PWs) bands (ev): -64.7798 -64.7798 -64.7798 -64.7798 -36.8417 -36.8417 -36.8416 -36.8416 -35.8941 -35.8941 -35.8939 -35.8939 -35.8266 -35.8266 -35.8264 -35.8264 -8.6393 -8.6393 -8.6386 -8.6386 -6.3521 -6.3521 -6.3506 -6.3506 1.1298 1.1298 1.1313 1.1313 2.3605 2.3605 2.3618 2.3618 3.0441 3.0441 3.1404 3.1404 3.6081 3.6081 3.7609 3.7609 4.2062 4.2062 4.2946 4.2946 4.4984 4.4984 4.5515 4.5515 6.3845 6.3845 6.4007 6.4007 6.8605 6.8605 6.8771 6.8771 7.1689 7.1689 7.1804 7.1804 8.8220 8.8220 8.8321 8.8321 k = 0.0778 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8417 -36.8417 -36.8417 -36.8417 -35.8941 -35.8941 -35.8939 -35.8939 -35.8267 -35.8267 -35.8265 -35.8265 -8.6459 -8.6459 -8.6452 -8.6452 -6.3593 -6.3593 -6.3579 -6.3579 1.1156 1.1156 1.1168 1.1168 2.3757 2.3757 2.3768 2.3768 3.0725 3.0725 3.1623 3.1623 3.6181 3.6181 3.7563 3.7563 4.2502 4.2502 4.3327 4.3327 4.5007 4.5007 4.5542 4.5542 6.3507 6.3507 6.3655 6.3655 6.8619 6.8619 6.8775 6.8775 7.1751 7.1751 7.1862 7.1862 8.8577 8.8577 8.8656 8.8656 k = 0.0667 0.3677-0.0000 ( 10924 PWs) bands (ev): -64.7809 -64.7809 -64.7809 -64.7809 -36.8416 -36.8416 -36.8416 -36.8416 -35.8939 -35.8939 -35.8937 -35.8937 -35.8268 -35.8268 -35.8266 -35.8266 -8.6516 -8.6516 -8.6510 -8.6510 -6.3655 -6.3655 -6.3643 -6.3643 1.1032 1.1032 1.1041 1.1041 2.3884 2.3884 2.3893 2.3893 3.1008 3.1008 3.1830 3.1830 3.6244 3.6244 3.7467 3.7467 4.2928 4.2928 4.3679 4.3679 4.5058 4.5058 4.5581 4.5581 6.3195 6.3195 6.3329 6.3329 6.8661 6.8661 6.8801 6.8801 7.1809 7.1809 7.1911 7.1911 8.8938 8.8938 8.8996 8.8996 k = 0.0556 0.3677-0.0000 ( 10914 PWs) bands (ev): -64.7806 -64.7806 -64.7806 -64.7806 -36.8415 -36.8415 -36.8415 -36.8415 -35.8937 -35.8937 -35.8935 -35.8935 -35.8268 -35.8268 -35.8266 -35.8266 -8.6564 -8.6564 -8.6560 -8.6560 -6.3708 -6.3708 -6.3698 -6.3698 1.0925 1.0925 1.0933 1.0933 2.3988 2.3988 2.3996 2.3996 3.1283 3.1283 3.2016 3.2016 3.6285 3.6285 3.7339 3.7339 4.3311 4.3311 4.3963 4.3963 4.5159 4.5159 4.5637 4.5637 6.2914 6.2914 6.3031 6.3031 6.8733 6.8733 6.8853 6.8853 7.1864 7.1864 7.1953 7.1953 8.9292 8.9292 8.9331 8.9331 k = 0.0444 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8414 -36.8414 -36.8414 -36.8414 -35.8936 -35.8936 -35.8934 -35.8934 -35.8268 -35.8268 -35.8266 -35.8266 -8.6604 -8.6604 -8.6601 -8.6601 -6.3751 -6.3751 -6.3743 -6.3743 1.0837 1.0837 1.0843 1.0843 2.4070 2.4070 2.4076 2.4076 3.1539 3.1539 3.2163 3.2163 3.6319 3.6319 3.7193 3.7193 4.3624 4.3624 4.4145 4.4145 4.5316 4.5316 4.5709 4.5709 6.2663 6.2663 6.2759 6.2759 6.8769 6.8769 6.8869 6.8869 7.1912 7.1912 7.1987 7.1987 8.9604 8.9604 8.9626 8.9626 k = 0.0333 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8414 -36.8414 -36.8414 -36.8414 -35.8935 -35.8935 -35.8934 -35.8934 -35.8268 -35.8268 -35.8267 -35.8267 -8.6636 -8.6636 -8.6633 -8.6633 -6.3785 -6.3785 -6.3779 -6.3779 1.0768 1.0768 1.0773 1.0773 2.4133 2.4133 2.4138 2.4138 3.1770 3.1770 3.2266 3.2266 3.6360 3.6360 3.7037 3.7037 4.3864 4.3864 4.4236 4.4236 4.5508 4.5508 4.5793 4.5793 6.2457 6.2457 6.2532 6.2532 6.8806 6.8806 6.8883 6.8883 7.1950 7.1950 7.2009 7.2009 8.9868 8.9868 8.9878 8.9878 k = 0.0222 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8413 -36.8413 -36.8413 -36.8413 -35.8934 -35.8934 -35.8933 -35.8933 -35.8268 -35.8268 -35.8267 -35.8267 -8.6658 -8.6658 -8.6656 -8.6656 -6.3808 -6.3808 -6.3804 -6.3804 1.0719 1.0719 1.0722 1.0722 2.4178 2.4178 2.4181 2.4181 3.1973 3.1973 3.2319 3.2319 3.6418 3.6418 3.6882 3.6882 4.4032 4.4032 4.4266 4.4266 4.5689 4.5689 4.5868 4.5868 6.2303 6.2303 6.2354 6.2354 6.8837 6.8837 6.8890 6.8890 7.1981 7.1981 7.2021 7.2021 9.0075 9.0075 9.0078 9.0078 k = 0.0111 0.3677-0.0000 ( 10914 PWs) bands (ev): -64.7806 -64.7806 -64.7806 -64.7806 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8932 -35.8932 -35.8267 -35.8267 -35.8267 -35.8267 -8.6671 -8.6671 -8.6670 -8.6670 -6.3822 -6.3822 -6.3820 -6.3820 1.0690 1.0690 1.0692 1.0692 2.4206 2.4206 2.4208 2.4208 3.2136 3.2136 3.2314 3.2314 3.6500 3.6500 3.6736 3.6736 4.4145 4.4145 4.4258 4.4258 4.5824 4.5824 4.5911 4.5911 6.2216 6.2216 6.2242 6.2242 6.8857 6.8857 6.8884 6.8884 7.2012 7.2012 7.2033 7.2033 9.0203 9.0203 9.0203 9.0203 k = 0.0000 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8267 -35.8267 -35.8267 -35.8267 -8.6675 -8.6675 -8.6675 -8.6675 -6.3826 -6.3826 -6.3826 -6.3826 1.0681 1.0681 1.0681 1.0681 2.4216 2.4216 2.4216 2.4216 3.2252 3.2252 3.2252 3.2252 3.6607 3.6607 3.6607 3.6607 4.4216 4.4216 4.4216 4.4216 4.5898 4.5898 4.5898 4.5898 6.2194 6.2194 6.2194 6.2194 6.8865 6.8865 6.8865 6.8865 7.2022 7.2022 7.2022 7.2022 9.0244 9.0244 9.0244 9.0244 k = 0.0000 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8267 -35.8267 -35.8267 -35.8267 -8.6675 -8.6675 -8.6675 -8.6675 -6.3826 -6.3826 -6.3826 -6.3826 1.0681 1.0681 1.0681 1.0681 2.4216 2.4216 2.4216 2.4216 3.2252 3.2252 3.2252 3.2252 3.6607 3.6607 3.6607 3.6607 4.4216 4.4216 4.4216 4.4216 4.5898 4.5898 4.5898 4.5898 6.2194 6.2194 6.2194 6.2194 6.8865 6.8865 6.8865 6.8865 7.2022 7.2022 7.2022 7.2022 9.0244 9.0244 9.0244 9.0244 k = 0.0000 0.3566-0.0000 ( 10918 PWs) bands (ev): -64.7812 -64.7812 -64.7803 -64.7803 -36.8414 -36.8414 -36.8412 -36.8412 -35.8934 -35.8934 -35.8932 -35.8932 -35.8269 -35.8269 -35.8265 -35.8265 -8.6767 -8.6767 -8.6586 -8.6586 -6.4214 -6.4214 -6.3439 -6.3439 1.0357 1.0357 1.1021 1.1021 2.3731 2.3731 2.4730 2.4730 3.2137 3.2137 3.2366 3.2366 3.6549 3.6549 3.6656 3.6656 4.4057 4.4057 4.4359 4.4359 4.5731 4.5731 4.6106 4.6106 6.2190 6.2190 6.2209 6.2209 6.8858 6.8858 6.8875 6.8875 7.1952 7.1952 7.2055 7.2055 9.0172 9.0172 9.0300 9.0300 k = 0.0000 0.3454-0.0000 ( 10916 PWs) bands (ev): -64.7809 -64.7809 -64.7805 -64.7805 -36.8417 -36.8417 -36.8409 -36.8409 -35.8936 -35.8936 -35.8929 -35.8929 -35.8272 -35.8272 -35.8262 -35.8262 -8.6861 -8.6861 -8.6499 -8.6499 -6.4601 -6.4601 -6.3052 -6.3052 1.0050 1.0050 1.1376 1.1376 2.3272 2.3272 2.5281 2.5281 3.2030 3.2030 3.2479 3.2479 3.6484 3.6484 3.6697 3.6697 4.3895 4.3895 4.4460 4.4460 4.5628 4.5628 4.6340 4.6340 6.2179 6.2179 6.2231 6.2231 6.8833 6.8833 6.8852 6.8852 7.1876 7.1876 7.2076 7.2076 9.0097 9.0097 9.0331 9.0331 k = 0.0000 0.3343-0.0000 ( 10912 PWs) bands (ev): -64.7807 -64.7807 -64.7803 -64.7803 -36.8418 -36.8418 -36.8407 -36.8407 -35.8938 -35.8938 -35.8927 -35.8927 -35.8275 -35.8275 -35.8259 -35.8259 -8.6956 -8.6956 -8.6414 -8.6414 -6.4985 -6.4985 -6.2668 -6.2668 0.9764 0.9764 1.1743 1.1743 2.2847 2.2847 2.5856 2.5856 3.1923 3.1923 3.2594 3.2594 3.6412 3.6412 3.6732 3.6732 4.3736 4.3736 4.4488 4.4488 4.5620 4.5620 4.6593 4.6593 6.2184 6.2184 6.2257 6.2257 6.8799 6.8799 6.8824 6.8824 7.1782 7.1782 7.2064 7.2064 9.0004 9.0004 9.0350 9.0350 k = 0.0000 0.3232-0.0000 ( 10906 PWs) bands (ev): -64.7806 -64.7806 -64.7800 -64.7800 -36.8420 -36.8420 -36.8405 -36.8405 -35.8939 -35.8939 -35.8925 -35.8925 -35.8277 -35.8277 -35.8256 -35.8256 -8.7053 -8.7053 -8.6332 -8.6332 -6.5367 -6.5367 -6.2287 -6.2287 0.9501 0.9501 1.2120 1.2120 2.2451 2.2451 2.6459 2.6459 3.1819 3.1819 3.2710 3.2710 3.6332 3.6332 3.6758 3.6758 4.3586 4.3586 4.4435 4.4435 4.5714 4.5714 4.6862 4.6862 6.2202 6.2202 6.2296 6.2296 6.8743 6.8743 6.8787 6.8787 7.1652 7.1652 7.2034 7.2034 8.9899 8.9899 9.0350 9.0350 k = 0.0000 0.3120-0.0000 ( 10898 PWs) bands (ev): -64.7805 -64.7805 -64.7796 -64.7796 -36.8421 -36.8421 -36.8403 -36.8403 -35.8940 -35.8940 -35.8923 -35.8923 -35.8279 -35.8279 -35.8253 -35.8253 -8.7152 -8.7152 -8.6254 -8.6254 -6.5744 -6.5744 -6.1910 -6.1910 0.9262 0.9262 1.2505 1.2505 2.2080 2.2080 2.7086 2.7086 3.1719 3.1719 3.2827 3.2827 3.6246 3.6246 3.6778 3.6778 4.3446 4.3446 4.4327 4.4327 4.5884 4.5884 4.7144 4.7144 6.2224 6.2224 6.2334 6.2334 6.8688 6.8688 6.8750 6.8750 7.1495 7.1495 7.2002 7.2002 8.9780 8.9780 9.0337 9.0337 k = 0.0000 0.3009-0.0000 ( 10894 PWs) bands (ev): -64.7804 -64.7804 -64.7794 -64.7794 -36.8423 -36.8423 -36.8401 -36.8401 -35.8941 -35.8941 -35.8921 -35.8921 -35.8281 -35.8281 -35.8250 -35.8250 -8.7251 -8.7251 -8.6178 -8.6178 -6.6116 -6.6116 -6.1540 -6.1540 0.9049 0.9049 1.2895 1.2895 2.1736 2.1736 2.7736 2.7736 3.1622 3.1622 3.2943 3.2943 3.6153 3.6153 3.6793 3.6793 4.3320 4.3320 4.4193 4.4193 4.6101 4.6101 4.7436 4.7436 6.2250 6.2250 6.2373 6.2373 6.8608 6.8608 6.8704 6.8704 7.1312 7.1312 7.1938 7.1938 8.9652 8.9652 9.0304 9.0304 k = 0.0000 0.2897-0.0000 ( 10896 PWs) bands (ev): -64.7802 -64.7802 -64.7797 -64.7797 -36.8425 -36.8425 -36.8399 -36.8399 -35.8943 -35.8943 -35.8918 -35.8918 -35.8284 -35.8284 -35.8247 -35.8247 -8.7351 -8.7351 -8.6105 -8.6105 -6.6482 -6.6482 -6.1175 -6.1175 0.8863 0.8863 1.3290 1.3290 2.1413 2.1413 2.8396 2.8396 3.1532 3.1532 3.3060 3.3060 3.6054 3.6054 3.6805 3.6805 4.3207 4.3207 4.4049 4.4049 4.6347 4.6347 4.7742 4.7742 6.2272 6.2272 6.2413 6.2413 6.8530 6.8530 6.8637 6.8637 7.1106 7.1106 7.1856 7.1856 8.9517 8.9517 9.0248 9.0248 k = 0.0000 0.2786-0.0000 ( 10890 PWs) bands (ev): -64.7800 -64.7800 -64.7796 -64.7796 -36.8427 -36.8427 -36.8396 -36.8396 -35.8946 -35.8946 -35.8916 -35.8916 -35.8287 -35.8287 -35.8243 -35.8243 -8.7452 -8.7452 -8.6035 -8.6035 -6.6840 -6.6840 -6.0819 -6.0819 0.8706 0.8706 1.3686 1.3686 2.1114 2.1114 2.9075 2.9075 3.1447 3.1447 3.3175 3.3175 3.5953 3.5953 3.6818 3.6818 4.3111 4.3111 4.3907 4.3907 4.6612 4.6612 4.8056 4.8056 6.2313 6.2313 6.2461 6.2461 6.8424 6.8424 6.8553 6.8553 7.0888 7.0888 7.1769 7.1769 8.9369 8.9369 9.0069 9.0069 k = 0.0000 0.2674-0.0000 ( 10884 PWs) bands (ev): -64.7800 -64.7800 -64.7791 -64.7791 -36.8429 -36.8429 -36.8393 -36.8393 -35.8948 -35.8948 -35.8913 -35.8913 -35.8289 -35.8289 -35.8239 -35.8239 -8.7552 -8.7552 -8.5968 -8.5968 -6.7191 -6.7191 -6.0471 -6.0471 0.8579 0.8579 1.4083 1.4083 2.0835 2.0835 2.9747 2.9747 3.1376 3.1376 3.3290 3.3290 3.5849 3.5849 3.6835 3.6835 4.3033 4.3033 4.3774 4.3774 4.6890 4.6890 4.8376 4.8376 6.2364 6.2364 6.2516 6.2516 6.8289 6.8289 6.8463 6.8463 7.0648 7.0648 7.1679 7.1679 8.9213 8.9213 8.9611 8.9611 k = 0.0000 0.2563-0.0000 ( 10882 PWs) bands (ev): -64.7799 -64.7799 -64.7791 -64.7791 -36.8430 -36.8430 -36.8391 -36.8391 -35.8949 -35.8949 -35.8911 -35.8911 -35.8291 -35.8291 -35.8237 -35.8237 -8.7653 -8.7653 -8.5905 -8.5905 -6.7533 -6.7533 -6.0133 -6.0133 0.8483 0.8483 1.4478 1.4478 2.0576 2.0576 3.0387 3.0387 3.1333 3.1333 3.3408 3.3408 3.5741 3.5741 3.6858 3.6858 4.2972 4.2972 4.3657 4.3657 4.7176 4.7176 4.8703 4.8703 6.2414 6.2414 6.2566 6.2566 6.8130 6.8130 6.8383 6.8383 7.0378 7.0378 7.1586 7.1586 8.8981 8.8981 8.9165 8.9165 k = 0.0000 0.2452-0.0000 ( 10884 PWs) bands (ev): -64.7800 -64.7800 -64.7792 -64.7792 -36.8432 -36.8432 -36.8389 -36.8389 -35.8951 -35.8951 -35.8910 -35.8910 -35.8293 -35.8293 -35.8235 -35.8235 -8.7752 -8.7752 -8.5845 -8.5845 -6.7866 -6.7866 -5.9805 -5.9805 0.8419 0.8419 1.4870 1.4870 2.0331 2.0331 3.0864 3.0864 3.1432 3.1432 3.3526 3.3526 3.5631 3.5631 3.6895 3.6895 4.2925 4.2925 4.3566 4.3566 4.7467 4.7467 4.9037 4.9037 6.2466 6.2466 6.2622 6.2622 6.7951 6.7951 6.8303 6.8303 7.0092 7.0092 7.1497 7.1497 8.8502 8.8502 8.8945 8.8945 k = 0.0000 0.2340-0.0000 ( 10884 PWs) bands (ev): -64.7799 -64.7799 -64.7793 -64.7793 -36.8434 -36.8434 -36.8388 -36.8388 -35.8952 -35.8952 -35.8908 -35.8908 -35.8295 -35.8295 -35.8233 -35.8233 -8.7851 -8.7851 -8.5788 -8.5788 -6.8188 -6.8188 -5.9489 -5.9489 0.8387 0.8387 1.5256 1.5256 2.0102 2.0102 3.0978 3.0978 3.1860 3.1860 3.3654 3.3654 3.5522 3.5522 3.6948 3.6948 4.2884 4.2884 4.3517 4.3517 4.7763 4.7763 4.9379 4.9379 6.2522 6.2522 6.2686 6.2686 6.7754 6.7754 6.8213 6.8213 6.9795 6.9795 7.1393 7.1393 8.7966 8.7966 8.8782 8.8782 k = 0.0000 0.2229-0.0000 ( 10878 PWs) bands (ev): -64.7797 -64.7797 -64.7792 -64.7792 -36.8435 -36.8435 -36.8386 -36.8386 -35.8953 -35.8953 -35.8905 -35.8905 -35.8297 -35.8297 -35.8231 -35.8231 -8.7949 -8.7949 -8.5734 -8.5734 -6.8499 -6.8499 -5.9185 -5.9185 0.8390 0.8390 1.5638 1.5638 1.9884 1.9884 3.0949 3.0949 3.2365 3.2365 3.3794 3.3794 3.5417 3.5417 3.7026 3.7026 4.2837 4.2837 4.3535 4.3535 4.8060 4.8060 4.9733 4.9733 6.2580 6.2580 6.2759 6.2759 6.7547 6.7547 6.8123 6.8123 6.9521 6.9521 7.1287 7.1287 8.7419 8.7419 8.8622 8.8622 k = 0.0000 0.2117-0.0000 ( 10886 PWs) bands (ev): -64.7800 -64.7800 -64.7795 -64.7795 -36.8437 -36.8437 -36.8384 -36.8384 -35.8955 -35.8955 -35.8904 -35.8904 -35.8300 -35.8300 -35.8229 -35.8229 -8.8045 -8.8045 -8.5683 -8.5683 -6.8798 -6.8798 -5.8893 -5.8893 0.8423 0.8423 1.6010 1.6010 1.9676 1.9676 3.0896 3.0896 3.2803 3.2803 3.3942 3.3942 3.5325 3.5325 3.7131 3.7131 4.2774 4.2774 4.3641 4.3641 4.8352 4.8352 5.0089 5.0089 6.2634 6.2634 6.2831 6.2831 6.7293 6.7293 6.8007 6.8007 6.9249 6.9249 7.1182 7.1182 8.6867 8.6867 8.8461 8.8461 k = 0.0000 0.2006-0.0000 ( 10878 PWs) bands (ev): -64.7798 -64.7798 -64.7791 -64.7791 -36.8438 -36.8438 -36.8382 -36.8382 -35.8956 -35.8956 -35.8901 -35.8901 -35.8301 -35.8301 -35.8226 -35.8226 -8.8139 -8.8139 -8.5636 -8.5636 -6.9085 -6.9085 -5.8614 -5.8614 0.8490 0.8490 1.6373 1.6373 1.9475 1.9475 3.0842 3.0842 3.3145 3.3145 3.4093 3.4093 3.5257 3.5257 3.7264 3.7264 4.2698 4.2698 4.3848 4.3848 4.8641 4.8641 5.0459 5.0459 6.2681 6.2681 6.2905 6.2905 6.7046 6.7046 6.7918 6.7918 6.9007 6.9007 7.1084 7.1084 8.6304 8.6304 8.8311 8.8311 k = 0.0000 0.1894-0.0000 ( 10890 PWs) bands (ev): -64.7801 -64.7801 -64.7798 -64.7798 -36.8440 -36.8440 -36.8381 -36.8381 -35.8957 -35.8957 -35.8901 -35.8901 -35.8304 -35.8304 -35.8226 -35.8226 -8.8231 -8.8231 -8.5592 -8.5592 -6.9360 -6.9360 -5.8350 -5.8350 0.8588 0.8588 1.6725 1.6725 1.9277 1.9277 3.0780 3.0780 3.3389 3.3389 3.4208 3.4208 3.5231 3.5231 3.7417 3.7417 4.2614 4.2614 4.4162 4.4162 4.8920 4.8920 5.0835 5.0835 6.2719 6.2719 6.2967 6.2967 6.6757 6.6757 6.7826 6.7826 6.8773 6.8773 7.0969 7.0969 8.5725 8.5725 8.8139 8.8139 k = 0.0000 0.1783-0.0000 ( 10888 PWs) bands (ev): -64.7801 -64.7801 -64.7796 -64.7796 -36.8441 -36.8441 -36.8380 -36.8380 -35.8959 -35.8959 -35.8899 -35.8899 -35.8306 -35.8306 -35.8223 -35.8223 -8.8319 -8.8319 -8.5550 -8.5550 -6.9621 -6.9621 -5.8100 -5.8100 0.8718 0.8718 1.7065 1.7065 1.9083 1.9083 3.0724 3.0724 3.3566 3.3566 3.4253 3.4253 3.5263 3.5263 3.7577 3.7577 4.2527 4.2527 4.4589 4.4589 4.9191 4.9191 5.1224 5.1224 6.2754 6.2754 6.3014 6.3014 6.6460 6.6460 6.7712 6.7712 6.8604 6.8604 7.0895 7.0895 8.5147 8.5147 8.7972 8.7972 k = 0.0000 0.1672-0.0000 ( 10874 PWs) bands (ev): -64.7796 -64.7796 -64.7792 -64.7792 -36.8441 -36.8441 -36.8378 -36.8378 -35.8958 -35.8958 -35.8897 -35.8897 -35.8306 -35.8306 -35.8221 -35.8221 -8.8405 -8.8405 -8.5512 -8.5512 -6.9868 -6.9868 -5.7864 -5.7864 0.8879 0.8879 1.7390 1.7390 1.8890 1.8890 3.0672 3.0672 3.3700 3.3700 3.4225 3.4225 3.5337 3.5337 3.7722 3.7722 4.2442 4.2442 4.5125 4.5125 4.9453 4.9453 5.1626 5.1626 6.2792 6.2792 6.3058 6.3058 6.6150 6.6150 6.7652 6.7652 6.8490 6.8490 7.0834 7.0834 8.4558 8.4558 8.7684 8.7684 k = 0.0000 0.1560-0.0000 ( 10878 PWs) bands (ev): -64.7799 -64.7799 -64.7792 -64.7792 -36.8442 -36.8442 -36.8377 -36.8377 -35.8959 -35.8959 -35.8896 -35.8896 -35.8308 -35.8308 -35.8220 -35.8220 -8.8487 -8.8487 -8.5477 -8.5477 -7.0101 -7.0101 -5.7643 -5.7643 0.9068 0.9068 1.7699 1.7699 1.8696 1.8696 3.0621 3.0621 3.3806 3.3806 3.4148 3.4148 3.5427 3.5427 3.7842 3.7842 4.2359 4.2359 4.5760 4.5760 4.9705 4.9705 5.2035 5.2035 6.2816 6.2816 6.3064 6.3064 6.5800 6.5800 6.7559 6.7559 6.8435 6.8435 7.0755 7.0755 8.3955 8.3955 8.6799 8.6799 k = 0.0000 0.1449-0.0000 ( 10884 PWs) bands (ev): -64.7803 -64.7803 -64.7793 -64.7793 -36.8443 -36.8443 -36.8376 -36.8376 -35.8960 -35.8960 -35.8895 -35.8895 -35.8310 -35.8310 -35.8219 -35.8219 -8.8565 -8.8565 -8.5444 -8.5444 -7.0319 -7.0319 -5.7438 -5.7438 0.9285 0.9285 1.7984 1.7984 1.8503 1.8503 3.0571 3.0571 3.3885 3.3885 3.4054 3.4054 3.5519 3.5519 3.7924 3.7924 4.2280 4.2280 4.6477 4.6477 4.9950 4.9950 5.2460 5.2460 6.2826 6.2826 6.3040 6.3040 6.5439 6.5439 6.7477 6.7477 6.8449 6.8449 7.0685 7.0685 8.3343 8.3343 8.5773 8.5773 k = 0.0000 0.1337-0.0000 ( 10854 PWs) bands (ev): -64.7798 -64.7798 -64.7777 -64.7777 -36.8442 -36.8442 -36.8374 -36.8374 -35.8958 -35.8958 -35.8893 -35.8893 -35.8308 -35.8308 -35.8217 -35.8217 -8.8639 -8.8639 -8.5415 -8.5415 -7.0523 -7.0523 -5.7247 -5.7247 0.9527 0.9527 1.8181 1.8181 1.8378 1.8378 3.0529 3.0529 3.3875 3.3875 3.4035 3.4035 3.5612 3.5612 3.7972 3.7972 4.2207 4.2207 4.7252 4.7252 5.0201 5.0201 5.2901 5.2901 6.2830 6.2830 6.3001 6.3001 6.5081 6.5081 6.7442 6.7442 6.8557 6.8557 7.0679 7.0679 8.2746 8.2746 8.4738 8.4738 k = 0.0000 0.1226-0.0000 ( 10845 PWs) bands (ev): -64.7803 -64.7803 -64.7766 -64.7766 -36.8441 -36.8441 -36.8374 -36.8374 -35.8957 -35.8957 -35.8893 -35.8893 -35.8307 -35.8307 -35.8216 -35.8216 -8.8708 -8.8708 -8.5388 -8.5388 -7.0711 -7.0711 -5.7072 -5.7072 0.9792 0.9792 1.8041 1.8041 1.8561 1.8561 3.0487 3.0487 3.3766 3.3766 3.4098 3.4098 3.5699 3.5699 3.7982 3.7982 4.2138 4.2138 4.8041 4.8041 5.0475 5.0475 5.3349 5.3349 6.2802 6.2802 6.2952 6.2952 6.4678 6.4678 6.7390 6.7390 6.8715 6.8715 7.0684 7.0684 8.2150 8.2150 8.3659 8.3659 k = 0.0000 0.1114-0.0000 ( 10855 PWs) bands (ev): -64.7806 -64.7806 -64.7770 -64.7770 -36.8442 -36.8442 -36.8373 -36.8373 -35.8958 -35.8958 -35.8892 -35.8892 -35.8310 -35.8310 -35.8215 -35.8215 -8.8773 -8.8773 -8.5363 -8.5363 -7.0884 -7.0884 -5.6912 -5.6912 1.0075 1.0075 1.7824 1.7824 1.8791 1.8791 3.0450 3.0450 3.3643 3.3643 3.4168 3.4168 3.5779 3.5779 3.7964 3.7964 4.2075 4.2075 4.8786 4.8786 5.0813 5.0813 5.3808 5.3808 6.2724 6.2724 6.2903 6.2903 6.4274 6.4274 6.7308 6.7308 6.8934 6.8934 7.0646 7.0646 8.1514 8.1514 8.2582 8.2582 k = 0.0000 0.1003-0.0000 ( 10867 PWs) bands (ev): -64.7813 -64.7813 -64.7772 -64.7772 -36.8443 -36.8443 -36.8373 -36.8373 -35.8959 -35.8959 -35.8892 -35.8892 -35.8311 -35.8311 -35.8215 -35.8215 -8.8832 -8.8832 -8.5342 -8.5342 -7.1041 -7.1041 -5.6768 -5.6768 1.0375 1.0375 1.7591 1.7591 1.9006 1.9006 3.0411 3.0411 3.3520 3.3520 3.4237 3.4237 3.5860 3.5860 3.7920 3.7920 4.2018 4.2018 4.9400 4.9400 5.1286 5.1286 5.4275 5.4275 6.2611 6.2611 6.2869 6.2869 6.3842 6.3842 6.7237 6.7237 6.9216 6.9216 7.0636 7.0636 8.0869 8.0869 8.1505 8.1505 k = 0.0000 0.0891-0.0000 ( 10869 PWs) bands (ev): -64.7812 -64.7812 -64.7776 -64.7776 -36.8444 -36.8444 -36.8372 -36.8372 -35.8960 -35.8960 -35.8891 -35.8891 -35.8313 -35.8313 -35.8214 -35.8214 -8.8886 -8.8886 -8.5323 -8.5323 -7.1182 -7.1182 -5.6640 -5.6640 1.0687 1.0687 1.7349 1.7349 1.9202 1.9202 3.0380 3.0380 3.3404 3.3404 3.4302 3.4302 3.5939 3.5939 3.7857 3.7857 4.1967 4.1967 4.9825 4.9825 5.1935 5.1935 5.4757 5.4757 6.2481 6.2481 6.2840 6.2840 6.3429 6.3429 6.7185 6.7185 6.9550 6.9550 7.0634 7.0634 8.0228 8.0228 8.0450 8.0450 k = 0.0000 0.0780-0.0000 ( 10875 PWs) bands (ev): -64.7814 -64.7814 -64.7778 -64.7778 -36.8445 -36.8445 -36.8372 -36.8372 -35.8961 -35.8961 -35.8891 -35.8891 -35.8315 -35.8315 -35.8213 -35.8213 -8.8934 -8.8934 -8.5306 -8.5306 -7.1306 -7.1306 -5.6527 -5.6527 1.1006 1.1006 1.7098 1.7098 1.9376 1.9376 3.0352 3.0352 3.3297 3.3297 3.4364 3.4364 3.6021 3.6021 3.7777 3.7777 4.1921 4.1921 5.0093 5.0093 5.2707 5.2707 5.5243 5.5243 6.2347 6.2347 6.2777 6.2777 6.3022 6.3022 6.7121 6.7121 6.9926 6.9926 7.0658 7.0658 7.9408 7.9408 7.9596 7.9596 k = 0.0000 0.0669-0.0000 ( 10879 PWs) bands (ev): -64.7816 -64.7816 -64.7779 -64.7779 -36.8446 -36.8446 -36.8371 -36.8371 -35.8962 -35.8962 -35.8890 -35.8890 -35.8315 -35.8315 -35.8213 -35.8213 -8.8976 -8.8976 -8.5291 -8.5291 -7.1415 -7.1415 -5.6429 -5.6429 1.1328 1.1328 1.6843 1.6843 1.9528 1.9528 3.0329 3.0329 3.3200 3.3200 3.4422 3.4422 3.6104 3.6104 3.7686 3.7686 4.1882 4.1882 5.0268 5.0268 5.3519 5.3519 5.5733 5.5733 6.2192 6.2192 6.2530 6.2530 6.2807 6.2807 6.7065 6.7065 7.0322 7.0322 7.0716 7.0716 7.8409 7.8409 7.8981 7.8981 k = 0.0000 0.0557-0.0000 ( 10875 PWs) bands (ev): -64.7815 -64.7815 -64.7778 -64.7778 -36.8446 -36.8446 -36.8371 -36.8371 -35.8962 -35.8962 -35.8889 -35.8889 -35.8316 -35.8316 -35.8212 -35.8212 -8.9012 -8.9012 -8.5279 -8.5279 -7.1507 -7.1507 -5.6346 -5.6346 1.1643 1.1643 1.6589 1.6589 1.9658 1.9658 3.0313 3.0313 3.3116 3.3116 3.4474 3.4474 3.6189 3.6189 3.7589 3.7589 4.1849 4.1849 5.0388 5.0388 5.4311 5.4311 5.6225 5.6225 6.1946 6.1946 6.2247 6.2247 6.2726 6.2726 6.7017 6.7017 7.0688 7.0688 7.0850 7.0850 7.7483 7.7483 7.8397 7.8397 k = 0.0000 0.0446-0.0000 ( 10869 PWs) bands (ev): -64.7814 -64.7814 -64.7775 -64.7775 -36.8446 -36.8446 -36.8370 -36.8370 -35.8962 -35.8962 -35.8889 -35.8889 -35.8316 -35.8316 -35.8211 -35.8211 -8.9042 -8.9042 -8.5269 -8.5269 -7.1582 -7.1582 -5.6278 -5.6278 1.1942 1.1942 1.6343 1.6343 1.9765 1.9765 3.0297 3.0297 3.3047 3.3047 3.4521 3.4521 3.6275 3.6275 3.7491 3.7491 4.1821 4.1821 5.0472 5.0472 5.5032 5.5032 5.6711 5.6711 6.1572 6.1572 6.2106 6.2106 6.2658 6.2658 6.6988 6.6988 7.0861 7.0861 7.1211 7.1211 7.6626 7.6626 7.7839 7.7839 k = 0.0000 0.0334-0.0000 ( 10873 PWs) bands (ev): -64.7817 -64.7817 -64.7775 -64.7775 -36.8447 -36.8447 -36.8370 -36.8370 -35.8962 -35.8962 -35.8889 -35.8889 -35.8316 -35.8316 -35.8211 -35.8211 -8.9065 -8.9065 -8.5262 -8.5262 -7.1641 -7.1641 -5.6226 -5.6226 1.2210 1.2210 1.6118 1.6118 1.9848 1.9848 3.0284 3.0284 3.2990 3.2990 3.4558 3.4558 3.6356 3.6356 3.7395 3.7395 4.1800 4.1800 5.0531 5.0531 5.5644 5.5644 5.7173 5.7173 6.1176 6.1176 6.2017 6.2017 6.2578 6.2578 6.6961 6.6961 7.0990 7.0990 7.1591 7.1591 7.5879 7.5879 7.7335 7.7335 k = 0.0000 0.0223-0.0000 ( 10883 PWs) bands (ev): -64.7820 -64.7820 -64.7779 -64.7779 -36.8447 -36.8447 -36.8370 -36.8370 -35.8963 -35.8963 -35.8889 -35.8889 -35.8317 -35.8317 -35.8211 -35.8211 -8.9082 -8.9082 -8.5256 -8.5256 -7.1683 -7.1683 -5.6189 -5.6189 1.2429 1.2429 1.5930 1.5930 1.9905 1.9905 3.0274 3.0274 3.2950 3.2950 3.4583 3.4583 3.6427 3.6427 3.7312 3.7312 4.1785 4.1785 5.0570 5.0570 5.6111 5.6111 5.7580 5.7580 6.0815 6.0815 6.1959 6.1959 6.2509 6.2509 6.6934 6.6934 7.1103 7.1103 7.1922 7.1922 7.5267 7.5267 7.6913 7.6913 k = 0.0000 0.0111-0.0000 ( 10887 PWs) bands (ev): -64.7822 -64.7822 -64.7781 -64.7781 -36.8448 -36.8448 -36.8370 -36.8370 -35.8963 -35.8963 -35.8889 -35.8889 -35.8318 -35.8318 -35.8212 -35.8212 -8.9092 -8.9092 -8.5253 -8.5253 -7.1708 -7.1708 -5.6167 -5.6167 1.2575 1.2575 1.5804 1.5804 1.9940 1.9940 3.0269 3.0269 3.2926 3.2926 3.4600 3.4600 3.6478 3.6478 3.7253 3.7253 4.1776 4.1776 5.0592 5.0592 5.6409 5.6409 5.7877 5.7877 6.0555 6.0555 6.1924 6.1924 6.2455 6.2455 6.6917 6.6917 7.1206 7.1206 7.2158 7.2158 7.4865 7.4865 7.6621 7.6621 k = 0.0000 0.0000 0.0000 ( 10893 PWs) bands (ev): -64.7822 -64.7822 -64.7784 -64.7784 -36.8448 -36.8448 -36.8370 -36.8370 -35.8964 -35.8964 -35.8888 -35.8888 -35.8319 -35.8319 -35.8212 -35.8212 -8.9095 -8.9095 -8.5252 -8.5252 -7.1717 -7.1717 -5.6159 -5.6159 1.2626 1.2626 1.5758 1.5758 1.9952 1.9952 3.0267 3.0267 3.2916 3.2916 3.4605 3.4605 3.6497 3.6497 3.7230 3.7230 4.1773 4.1773 5.0598 5.0598 5.6511 5.6511 5.7989 5.7989 6.0457 6.0457 6.1913 6.1913 6.2442 6.2442 6.6909 6.6909 7.1237 7.1237 7.2231 7.2231 7.4726 7.4726 7.6498 7.6498 k = 0.0000 0.0000 0.0000 ( 10893 PWs) bands (ev): -64.7822 -64.7822 -64.7784 -64.7784 -36.8448 -36.8448 -36.8370 -36.8370 -35.8964 -35.8964 -35.8888 -35.8888 -35.8319 -35.8319 -35.8212 -35.8212 -8.9095 -8.9095 -8.5252 -8.5252 -7.1717 -7.1717 -5.6159 -5.6159 1.2626 1.2626 1.5758 1.5758 1.9952 1.9952 3.0267 3.0267 3.2916 3.2916 3.4605 3.4605 3.6497 3.6497 3.7230 3.7230 4.1773 4.1773 5.0598 5.0598 5.6511 5.6511 5.7989 5.7989 6.0457 6.0457 6.1913 6.1913 6.2442 6.2442 6.6909 6.6909 7.1237 7.1237 7.2231 7.2231 7.4726 7.4726 7.6498 7.6498 k = 0.0000 0.0000 0.0110 ( 10895 PWs) bands (ev): -64.7825 -64.7825 -64.7783 -64.7783 -36.8448 -36.8448 -36.8371 -36.8371 -35.8964 -35.8964 -35.8889 -35.8889 -35.8318 -35.8318 -35.8212 -35.8212 -8.9091 -8.9091 -8.5258 -8.5258 -7.1714 -7.1714 -5.6159 -5.6159 1.2627 1.2627 1.5723 1.5723 2.0001 2.0001 3.0268 3.0268 3.2889 3.2889 3.4617 3.4617 3.6481 3.6481 3.7255 3.7255 4.1786 4.1786 5.0563 5.0563 5.6504 5.6504 5.7981 5.7981 6.0453 6.0453 6.1910 6.1910 6.2441 6.2441 6.6909 6.6909 7.1210 7.1210 7.2268 7.2268 7.4722 7.4722 7.6500 7.6500 k = 0.0000 0.0000 0.0220 ( 10885 PWs) bands (ev): -64.7823 -64.7823 -64.7777 -64.7777 -36.8447 -36.8447 -36.8371 -36.8371 -35.8963 -35.8963 -35.8889 -35.8889 -35.8317 -35.8317 -35.8212 -35.8212 -8.9078 -8.9078 -8.5277 -8.5277 -7.1708 -7.1708 -5.6159 -5.6159 1.2629 1.2629 1.5625 1.5625 2.0147 2.0147 3.0267 3.0267 3.2811 3.2811 3.4651 3.4651 3.6441 3.6441 3.7325 3.7325 4.1826 4.1826 5.0460 5.0460 5.6483 5.6483 5.7957 5.7957 6.0455 6.0455 6.1914 6.1914 6.2471 6.2471 6.6913 6.6913 7.1131 7.1131 7.2366 7.2366 7.4744 7.4744 7.6526 7.6526 k = 0.0000 0.0000 0.0330 ( 10885 PWs) bands (ev): -64.7825 -64.7825 -64.7776 -64.7776 -36.8447 -36.8447 -36.8371 -36.8371 -35.8963 -35.8963 -35.8889 -35.8889 -35.8317 -35.8317 -35.8212 -35.8212 -8.9057 -8.9057 -8.5307 -8.5307 -7.1698 -7.1698 -5.6159 -5.6159 1.2633 1.2633 1.5474 1.5474 2.0372 2.0372 3.0273 3.0273 3.2692 3.2692 3.4694 3.4694 3.6386 3.6386 3.7431 3.7431 4.1891 4.1891 5.0284 5.0284 5.6447 5.6447 5.7917 5.7917 6.0456 6.0456 6.1902 6.1902 6.2488 6.2488 6.6919 6.6919 7.1017 7.1017 7.2498 7.2498 7.4776 7.4776 7.6519 7.6519 k = 0.0000 0.0000 0.0440 ( 10881 PWs) bands (ev): -64.7822 -64.7822 -64.7775 -64.7775 -36.8447 -36.8447 -36.8370 -36.8370 -35.8963 -35.8963 -35.8889 -35.8889 -35.8317 -35.8317 -35.8211 -35.8211 -8.9028 -8.9028 -8.5349 -8.5349 -7.1683 -7.1683 -5.6158 -5.6158 1.2640 1.2640 1.5287 1.5287 2.0661 2.0661 3.0282 3.0282 3.2546 3.2546 3.4736 3.4736 3.6326 3.6326 3.7564 3.7564 4.1979 4.1979 5.0044 5.0044 5.6398 5.6398 5.7862 5.7862 6.0457 6.0457 6.1897 6.1897 6.2519 6.2519 6.6911 6.6911 7.0872 7.0872 7.2667 7.2667 7.4820 7.4820 7.6522 7.6522 k = 0.0000 0.0000 0.0550 ( 10873 PWs) bands (ev): -64.7818 -64.7818 -64.7773 -64.7773 -36.8447 -36.8447 -36.8370 -36.8370 -35.8963 -35.8963 -35.8888 -35.8888 -35.8317 -35.8317 -35.8210 -35.8210 -8.8991 -8.8991 -8.5403 -8.5403 -7.1666 -7.1666 -5.6158 -5.6158 1.2648 1.2648 1.5079 1.5079 2.0998 2.0998 3.0296 3.0296 3.2382 3.2382 3.4766 3.4766 3.6270 3.6270 3.7718 3.7718 4.2088 4.2088 4.9740 4.9740 5.6338 5.6338 5.7793 5.7793 6.0461 6.0461 6.1898 6.1898 6.2558 6.2558 6.6910 6.6910 7.0734 7.0734 7.2841 7.2841 7.4874 7.4874 7.6518 7.6518 k = 0.0000 0.0000 0.0660 ( 10877 PWs) bands (ev): -64.7818 -64.7818 -64.7775 -64.7775 -36.8447 -36.8447 -36.8370 -36.8370 -35.8963 -35.8963 -35.8889 -35.8889 -35.8317 -35.8317 -35.8210 -35.8210 -8.8946 -8.8946 -8.5466 -8.5466 -7.1645 -7.1645 -5.6158 -5.6158 1.2656 1.2656 1.4861 1.4861 2.1366 2.1366 3.0308 3.0308 3.2207 3.2207 3.4783 3.4783 3.6221 3.6221 3.7889 3.7889 4.2214 4.2214 4.9379 4.9379 5.6267 5.6267 5.7713 5.7713 6.0462 6.0462 6.1898 6.1898 6.2567 6.2567 6.6909 6.6909 7.0598 7.0598 7.3003 7.3003 7.4933 7.4933 7.6504 7.6504 k = 0.0000 0.0000 0.0770 ( 10875 PWs) bands (ev): -64.7820 -64.7820 -64.7772 -64.7772 -36.8447 -36.8447 -36.8370 -36.8370 -35.8962 -35.8962 -35.8889 -35.8889 -35.8316 -35.8316 -35.8211 -35.8211 -8.8894 -8.8894 -8.5539 -8.5539 -7.1622 -7.1622 -5.6157 -5.6157 1.2665 1.2665 1.4643 1.4643 2.1756 2.1756 3.0322 3.0322 3.2028 3.2028 3.4782 3.4782 3.6187 3.6187 3.8074 3.8074 4.2353 4.2353 4.8968 4.8968 5.6189 5.6189 5.7622 5.7622 6.0463 6.0463 6.1907 6.1907 6.2581 6.2581 6.6916 6.6916 7.0471 7.0471 7.3158 7.3158 7.4999 7.4999 7.6497 7.6497 k = 0.0000 0.0000 0.0880 ( 10859 PWs) bands (ev): -64.7814 -64.7814 -64.7766 -64.7766 -36.8446 -36.8446 -36.8369 -36.8369 -35.8961 -35.8961 -35.8887 -35.8887 -35.8316 -35.8316 -35.8210 -35.8210 -8.8834 -8.8834 -8.5621 -8.5621 -7.1597 -7.1597 -5.6156 -5.6156 1.2675 1.2675 1.4429 1.4429 2.2159 2.2159 3.0345 3.0345 3.1851 3.1851 3.4766 3.4766 3.6169 3.6169 3.8270 3.8270 4.2502 4.2502 4.8514 4.8514 5.6104 5.6104 5.7524 5.7524 6.0468 6.0468 6.1932 6.1932 6.2610 6.2610 6.6929 6.6929 7.0338 7.0338 7.3319 7.3319 7.5084 7.5084 7.6495 7.6495 k = 0.0000 0.0000 0.0990 ( 10843 PWs) bands (ev): -64.7809 -64.7809 -64.7760 -64.7760 -36.8445 -36.8445 -36.8369 -36.8369 -35.8960 -35.8960 -35.8887 -35.8887 -35.8315 -35.8315 -35.8209 -35.8209 -8.8769 -8.8769 -8.5710 -8.5710 -7.1571 -7.1571 -5.6156 -5.6156 1.2686 1.2686 1.4226 1.4226 2.2567 2.2567 3.0363 3.0363 3.1679 3.1679 3.4736 3.4736 3.6171 3.6171 3.8474 3.8474 4.2658 4.2658 4.8023 4.8023 5.6014 5.6014 5.7419 5.7419 6.0479 6.0479 6.1957 6.1957 6.2633 6.2633 6.6931 6.6931 7.0222 7.0222 7.3481 7.3481 7.5178 7.5178 7.6495 7.6495 k = 0.0000 0.0000 0.1100 ( 10831 PWs) bands (ev): -64.7804 -64.7804 -64.7756 -64.7756 -36.8444 -36.8444 -36.8368 -36.8368 -35.8959 -35.8959 -35.8886 -35.8886 -35.8314 -35.8314 -35.8208 -35.8208 -8.8698 -8.8698 -8.5805 -8.5805 -7.1545 -7.1545 -5.6155 -5.6155 1.2698 1.2698 1.4035 1.4035 2.2967 2.2967 3.0382 3.0382 3.1513 3.1513 3.4685 3.4685 3.6194 3.6194 3.8680 3.8680 4.2816 4.2816 4.7504 4.7504 5.5922 5.5922 5.7309 5.7309 6.0492 6.0492 6.2007 6.2007 6.2668 6.2668 6.6933 6.6933 7.0110 7.0110 7.3630 7.3630 7.5261 7.5261 7.6481 7.6481 k = 0.0000 0.0000 0.1210 ( 10825 PWs) bands (ev): -64.7802 -64.7802 -64.7755 -64.7755 -36.8444 -36.8444 -36.8367 -36.8367 -35.8959 -35.8959 -35.8886 -35.8886 -35.8313 -35.8313 -35.8208 -35.8208 -8.8622 -8.8622 -8.5904 -8.5904 -7.1518 -7.1518 -5.6154 -5.6154 1.2709 1.2709 1.3857 1.3857 2.3355 2.3355 3.0402 3.0402 3.1359 3.1359 3.4632 3.4632 3.6237 3.6237 3.8885 3.8885 4.2973 4.2973 4.6962 4.6962 5.5829 5.5829 5.7198 5.7198 6.0499 6.0499 6.2031 6.2031 6.2671 6.2671 6.6931 6.6931 7.0013 7.0013 7.3762 7.3762 7.5355 7.5355 7.6467 7.6467 k = 0.0000 0.0000 0.1321 ( 10825 PWs) bands (ev): -64.7801 -64.7801 -64.7755 -64.7755 -36.8444 -36.8444 -36.8367 -36.8367 -35.8959 -35.8959 -35.8885 -35.8885 -35.8313 -35.8313 -35.8208 -35.8208 -8.8542 -8.8542 -8.6007 -8.6007 -7.1493 -7.1493 -5.6154 -5.6154 1.2720 1.2720 1.3695 1.3695 2.3724 2.3724 3.0418 3.0418 3.1216 3.1216 3.4571 3.4571 3.6302 3.6302 3.9088 3.9088 4.3125 4.3125 4.6410 4.6410 5.5738 5.5738 5.7089 5.7089 6.0507 6.0507 6.2057 6.2057 6.2668 6.2668 6.6932 6.6932 6.9932 6.9932 7.3886 7.3886 7.5433 7.5433 7.6438 7.6438 k = 0.0000 0.0000 0.1431 ( 10829 PWs) bands (ev): -64.7805 -64.7805 -64.7755 -64.7755 -36.8444 -36.8444 -36.8368 -36.8368 -35.8959 -35.8959 -35.8886 -35.8886 -35.8313 -35.8313 -35.8208 -35.8208 -8.8460 -8.8460 -8.6110 -8.6110 -7.1469 -7.1469 -5.6153 -5.6153 1.2730 1.2730 1.3551 1.3551 2.4067 2.4067 3.0430 3.0430 3.1085 3.1085 3.4509 3.4509 3.6387 3.6387 3.9285 3.9285 4.3268 4.3268 4.5859 4.5859 5.5651 5.5651 5.6983 5.6983 6.0504 6.0504 6.2103 6.2103 6.2657 6.2657 6.6930 6.6930 6.9847 6.9847 7.3994 7.3994 7.5510 7.5510 7.6410 7.6410 k = 0.0000 0.0000 0.1541 ( 10831 PWs) bands (ev): -64.7806 -64.7806 -64.7755 -64.7755 -36.8444 -36.8444 -36.8368 -36.8368 -35.8959 -35.8959 -35.8886 -35.8886 -35.8313 -35.8313 -35.8209 -35.8209 -8.8378 -8.8378 -8.6212 -8.6212 -7.1447 -7.1447 -5.6153 -5.6153 1.2739 1.2739 1.3425 1.3425 2.4377 2.4377 3.0445 3.0445 3.0971 3.0971 3.4453 3.4453 3.6488 3.6488 3.9475 3.9475 4.3398 4.3398 4.5321 4.5321 5.5570 5.5570 5.6885 5.6885 6.0510 6.0510 6.2145 6.2145 6.2640 6.2640 6.6924 6.6924 6.9759 6.9759 7.4078 7.4078 7.5593 7.5593 7.6377 7.6377 k = 0.0000 0.0000 0.1651 ( 10821 PWs) bands (ev): -64.7800 -64.7800 -64.7754 -64.7754 -36.8444 -36.8444 -36.8367 -36.8367 -35.8959 -35.8959 -35.8885 -35.8885 -35.8313 -35.8313 -35.8208 -35.8208 -8.8298 -8.8298 -8.6310 -8.6310 -7.1427 -7.1427 -5.6153 -5.6153 1.2748 1.2748 1.3318 1.3318 2.4650 2.4650 3.0459 3.0459 3.0875 3.0875 3.4401 3.4401 3.6601 3.6601 3.9659 3.9659 4.3512 4.3512 4.4809 4.4809 5.5498 5.5498 5.6797 5.6797 6.0511 6.0511 6.2203 6.2203 6.2637 6.2637 6.6923 6.6923 6.9698 6.9698 7.4180 7.4180 7.5671 7.5671 7.6344 7.6344 k = 0.0000 0.0000 0.1761 ( 10829 PWs) bands (ev): -64.7805 -64.7805 -64.7756 -64.7756 -36.8444 -36.8444 -36.8368 -36.8368 -35.8959 -35.8959 -35.8885 -35.8885 -35.8313 -35.8313 -35.8209 -35.8209 -8.8223 -8.8223 -8.6400 -8.6400 -7.1410 -7.1410 -5.6152 -5.6152 1.2755 1.2755 1.3229 1.3229 2.4879 2.4879 3.0466 3.0466 3.0794 3.0794 3.4353 3.4353 3.6718 3.6718 3.9829 3.9829 4.3598 4.3598 4.4346 4.4346 5.5436 5.5436 5.6720 5.6720 6.0506 6.0506 6.2251 6.2251 6.2610 6.2610 6.6919 6.6919 6.9643 6.9643 7.4227 7.4227 7.5740 7.5740 7.6303 7.6303 k = 0.0000 0.0000 0.1871 ( 10831 PWs) bands (ev): -64.7806 -64.7806 -64.7756 -64.7756 -36.8444 -36.8444 -36.8368 -36.8368 -35.8959 -35.8959 -35.8885 -35.8885 -35.8313 -35.8313 -35.8210 -35.8210 -8.8157 -8.8157 -8.6479 -8.6479 -7.1397 -7.1397 -5.6152 -5.6152 1.2761 1.2761 1.3160 1.3160 2.5062 2.5062 3.0471 3.0471 3.0735 3.0735 3.4316 3.4316 3.6827 3.6827 3.9983 3.9983 4.3624 4.3624 4.3984 4.3984 5.5385 5.5385 5.6658 5.6658 6.0506 6.0506 6.2298 6.2298 6.2572 6.2572 6.6918 6.6918 6.9599 6.9599 7.4270 7.4270 7.5808 7.5808 7.6270 7.6270 k = 0.0000 0.0000 0.1981 ( 10836 PWs) bands (ev): -64.7809 -64.7809 -64.7757 -64.7757 -36.8444 -36.8444 -36.8368 -36.8368 -35.8959 -35.8959 -35.8886 -35.8886 -35.8314 -35.8314 -35.8210 -35.8210 -8.8105 -8.8105 -8.6540 -8.6540 -7.1387 -7.1387 -5.6152 -5.6152 1.2765 1.2765 1.3109 1.3109 2.5193 2.5193 3.0472 3.0472 3.0695 3.0695 3.4291 3.4291 3.6918 3.6918 4.0112 4.0112 4.3479 4.3479 4.3857 4.3857 5.5348 5.5348 5.6612 5.6612 6.0504 6.0504 6.2345 6.2345 6.2539 6.2539 6.6912 6.6912 6.9550 6.9550 7.4294 7.4294 7.5859 7.5859 7.6234 7.6234 k = 0.0000 0.0000 0.2091 ( 10826 PWs) bands (ev): -64.7807 -64.7807 -64.7752 -64.7752 -36.8443 -36.8443 -36.8368 -36.8368 -35.8958 -35.8958 -35.8885 -35.8885 -35.8313 -35.8313 -35.8210 -35.8210 -8.8071 -8.8071 -8.6579 -8.6579 -7.1381 -7.1381 -5.6152 -5.6152 1.2768 1.2768 1.3080 1.3080 2.5276 2.5276 3.0472 3.0472 3.0672 3.0672 3.4281 3.4281 3.6978 3.6978 4.0202 4.0202 4.3296 4.3296 4.3859 4.3859 5.5327 5.5327 5.6586 5.6586 6.0506 6.0506 6.2393 6.2393 6.2507 6.2507 6.6916 6.6916 6.9538 6.9538 7.4318 7.4318 7.5907 7.5907 7.6217 7.6217 k = 0.0000 0.0000 0.2201 ( 10830 PWs) bands (ev): -64.7811 -64.7811 -64.7751 -64.7751 -36.8443 -36.8443 -36.8368 -36.8368 -35.8958 -35.8958 -35.8885 -35.8885 -35.8313 -35.8313 -35.8211 -35.8211 -8.8059 -8.8059 -8.6593 -8.6593 -7.1379 -7.1379 -5.6151 -5.6151 1.2768 1.2768 1.3070 1.3070 2.5303 2.5303 3.0472 3.0472 3.0662 3.0662 3.4276 3.4276 3.6999 3.6999 4.0233 4.0233 4.3226 4.3226 4.3865 4.3865 5.5320 5.5320 5.6577 5.6577 6.0504 6.0504 6.2417 6.2417 6.2473 6.2473 6.6920 6.6920 6.9538 6.9538 7.4317 7.4317 7.5920 7.5920 7.6207 7.6207 k = 0.0000 0.0000 0.2201 ( 10830 PWs) bands (ev): -64.7811 -64.7811 -64.7751 -64.7751 -36.8443 -36.8443 -36.8368 -36.8368 -35.8958 -35.8958 -35.8885 -35.8885 -35.8313 -35.8313 -35.8211 -35.8211 -8.8059 -8.8059 -8.6593 -8.6593 -7.1379 -7.1379 -5.6151 -5.6151 1.2768 1.2768 1.3070 1.3070 2.5303 2.5303 3.0472 3.0472 3.0662 3.0662 3.4276 3.4276 3.6999 3.6999 4.0233 4.0233 4.3226 4.3226 4.3865 4.3865 5.5320 5.5320 5.6577 5.6577 6.0504 6.0504 6.2417 6.2417 6.2473 6.2473 6.6920 6.6920 6.9538 6.9538 7.4317 7.4317 7.5920 7.5920 7.6207 7.6207 k = 0.0111-0.0000 0.2201 ( 10834 PWs) bands (ev): -64.7813 -64.7813 -64.7751 -64.7751 -36.8443 -36.8443 -36.8369 -36.8369 -35.8958 -35.8958 -35.8886 -35.8886 -35.8313 -35.8313 -35.8211 -35.8211 -8.8054 -8.8054 -8.6588 -8.6588 -7.1373 -7.1373 -5.6151 -5.6151 1.2776 1.2776 1.3081 1.3081 2.5303 2.5303 3.0456 3.0456 3.0648 3.0648 3.4262 3.4262 3.6994 3.6994 4.0234 4.0234 4.3225 4.3225 4.3835 4.3835 5.5263 5.5263 5.6484 5.6484 6.0534 6.0534 6.2455 6.2455 6.2554 6.2554 6.6919 6.6919 6.9534 6.9534 7.4311 7.4311 7.5921 7.5921 7.6192 7.6192 k = 0.0222-0.0000 0.2201 ( 10834 PWs) bands (ev): -64.7810 -64.7810 -64.7754 -64.7754 -36.8444 -36.8444 -36.8369 -36.8369 -35.8959 -35.8959 -35.8887 -35.8887 -35.8313 -35.8313 -35.8210 -35.8210 -8.8039 -8.8039 -8.6571 -8.6571 -7.1357 -7.1357 -5.6151 -5.6151 1.2802 1.2802 1.3113 1.3113 2.5309 2.5309 3.0392 3.0392 3.0633 3.0633 3.4218 3.4218 3.6978 3.6978 4.0236 4.0236 4.3175 4.3175 4.3796 4.3796 5.5094 5.5094 5.6223 5.6223 6.0628 6.0628 6.2570 6.2570 6.2803 6.2803 6.6913 6.6913 6.9516 6.9516 7.4300 7.4300 7.5924 7.5924 7.6182 7.6182 k = 0.0333-0.0000 0.2201 ( 10842 PWs) bands (ev): -64.7811 -64.7811 -64.7759 -64.7759 -36.8445 -36.8445 -36.8369 -36.8369 -35.8961 -35.8961 -35.8888 -35.8888 -35.8313 -35.8313 -35.8211 -35.8211 -8.8015 -8.8015 -8.6545 -8.6545 -7.1329 -7.1329 -5.6151 -5.6151 1.2844 1.2844 1.3167 1.3167 2.5320 2.5320 3.0252 3.0252 3.0638 3.0638 3.4147 3.4147 3.6949 3.6949 4.0235 4.0235 4.2974 4.2974 4.3853 4.3853 5.4811 5.4811 5.5848 5.5848 6.0769 6.0769 6.2752 6.2752 6.3158 6.3158 6.6906 6.6906 6.9496 6.9496 7.4267 7.4267 7.5924 7.5924 7.6170 7.6170 k = 0.0444-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7815 -64.7815 -64.7761 -64.7761 -36.8446 -36.8446 -36.8371 -36.8371 -35.8963 -35.8963 -35.8890 -35.8890 -35.8312 -35.8312 -35.8211 -35.8211 -8.7981 -8.7981 -8.6507 -8.6507 -7.1291 -7.1291 -5.6150 -5.6150 1.2902 1.2902 1.3242 1.3242 2.5335 2.5335 3.0043 3.0043 3.0665 3.0665 3.4058 3.4058 3.6903 3.6903 4.0227 4.0227 4.2614 4.2614 4.4025 4.4025 5.4413 5.4413 5.5414 5.5414 6.0929 6.0929 6.2974 6.2974 6.3588 6.3588 6.6898 6.6898 6.9485 6.9485 7.4218 7.4218 7.5935 7.5935 7.6157 7.6157 k = 0.0556-0.0000 0.2201 ( 10860 PWs) bands (ev): -64.7817 -64.7817 -64.7764 -64.7764 -36.8447 -36.8447 -36.8372 -36.8372 -35.8965 -35.8965 -35.8892 -35.8892 -35.8312 -35.8312 -35.8211 -35.8211 -8.7937 -8.7937 -8.6459 -8.6459 -7.1241 -7.1241 -5.6150 -5.6150 1.2977 1.2977 1.3338 1.3338 2.5351 2.5351 2.9785 2.9785 3.0707 3.0707 3.3951 3.3951 3.6835 3.6835 4.0202 4.0202 4.2153 4.2153 4.4273 4.4273 5.3908 5.3908 5.4960 5.4960 6.1135 6.1135 6.3260 6.3260 6.4057 6.4057 6.6888 6.6888 6.9452 6.9452 7.4158 7.4158 7.5936 7.5936 7.6126 7.6126 k = 0.0667-0.0000 0.2201 ( 10866 PWs) bands (ev): -64.7820 -64.7820 -64.7765 -64.7765 -36.8447 -36.8447 -36.8374 -36.8374 -35.8966 -35.8966 -35.8895 -35.8895 -35.8312 -35.8312 -35.8212 -35.8212 -8.7884 -8.7884 -8.6401 -8.6401 -7.1180 -7.1180 -5.6150 -5.6150 1.3068 1.3068 1.3455 1.3455 2.5368 2.5368 2.9485 2.9485 3.0758 3.0758 3.3827 3.3827 3.6739 3.6739 4.0131 4.0131 4.1651 4.1651 4.4571 4.4571 5.3316 5.3316 5.4500 5.4500 6.1358 6.1358 6.3580 6.3580 6.4546 6.4546 6.6883 6.6883 6.9414 6.9414 7.4087 7.4087 7.5957 7.5957 7.6094 7.6094 k = 0.0778-0.0000 0.2201 ( 10862 PWs) bands (ev): -64.7819 -64.7819 -64.7763 -64.7763 -36.8448 -36.8448 -36.8375 -36.8375 -35.8968 -35.8968 -35.8897 -35.8897 -35.8310 -35.8310 -35.8211 -35.8211 -8.7821 -8.7821 -8.6334 -8.6334 -7.1109 -7.1109 -5.6151 -5.6151 1.3177 1.3177 1.3591 1.3591 2.5388 2.5388 2.9155 2.9155 3.0815 3.0815 3.3693 3.3693 3.6605 3.6605 3.9943 3.9943 4.1204 4.1204 4.4903 4.4903 5.2670 5.2670 5.4033 5.4033 6.1602 6.1602 6.3918 6.3918 6.5047 6.5047 6.6900 6.6900 6.9382 6.9382 7.4005 7.4005 7.5977 7.5977 7.6069 7.6069 k = 0.0889-0.0000 0.2201 ( 10854 PWs) bands (ev): -64.7817 -64.7817 -64.7758 -64.7758 -36.8448 -36.8448 -36.8376 -36.8376 -35.8968 -35.8968 -35.8900 -35.8900 -35.8309 -35.8309 -35.8211 -35.8211 -8.7750 -8.7750 -8.6256 -8.6256 -7.1026 -7.1026 -5.6152 -5.6152 1.3301 1.3301 1.3746 1.3746 2.5407 2.5407 2.8801 2.8801 3.0874 3.0874 3.3557 3.3557 3.6420 3.6420 3.9545 3.9545 4.0932 4.0932 4.5257 4.5257 5.1994 5.1994 5.3551 5.3551 6.1860 6.1860 6.4287 6.4287 6.5546 6.5546 6.6899 6.6899 6.9334 6.9334 7.3915 7.3915 7.6000 7.6000 7.6058 7.6058 k = 0.1000-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7816 -64.7816 -64.7758 -64.7758 -36.8449 -36.8449 -36.8378 -36.8378 -35.8970 -35.8970 -35.8902 -35.8902 -35.8308 -35.8308 -35.8211 -35.8211 -8.7669 -8.7669 -8.6170 -8.6170 -7.0932 -7.0932 -5.6155 -5.6155 1.3443 1.3443 1.3920 1.3920 2.5422 2.5422 2.8432 2.8432 3.0927 3.0927 3.3416 3.3416 3.6169 3.6169 3.8972 3.8972 4.0829 4.0829 4.5624 4.5624 5.1306 5.1306 5.3053 5.3053 6.2113 6.2113 6.4645 6.4645 6.6028 6.6028 6.6906 6.6906 6.9277 6.9277 7.3823 7.3823 7.5977 7.5977 7.6082 7.6082 k = 0.1111-0.0000 0.2201 ( 10860 PWs) bands (ev): -64.7819 -64.7819 -64.7760 -64.7760 -36.8450 -36.8450 -36.8380 -36.8380 -35.8973 -35.8973 -35.8906 -35.8906 -35.8308 -35.8308 -35.8212 -35.8212 -8.7580 -8.7580 -8.6075 -8.6075 -7.0827 -7.0827 -5.6159 -5.6159 1.3601 1.3601 1.4110 1.4110 2.5430 2.5430 2.8053 2.8053 3.0967 3.0967 3.3286 3.3286 3.5826 3.5826 3.8338 3.8338 4.0808 4.0808 4.5993 4.5993 5.0621 5.0621 5.2535 5.2535 6.2359 6.2359 6.5005 6.5005 6.6487 6.6487 6.6880 6.6880 6.9206 6.9206 7.3700 7.3700 7.5932 7.5932 7.6129 7.6129 k = 0.1222-0.0000 0.2201 ( 10854 PWs) bands (ev): -64.7816 -64.7816 -64.7758 -64.7758 -36.8450 -36.8450 -36.8382 -36.8382 -35.8975 -35.8975 -35.8909 -35.8909 -35.8306 -35.8306 -35.8211 -35.8211 -8.7483 -8.7483 -8.5972 -8.5972 -7.0711 -7.0711 -5.6166 -5.6166 1.3775 1.3775 1.4315 1.4315 2.5431 2.5431 2.7679 2.7679 3.0982 3.0982 3.3175 3.3175 3.5368 3.5368 3.7727 3.7727 4.0828 4.0828 4.6356 4.6356 4.9952 4.9952 5.2004 5.2004 6.2615 6.2615 6.5331 6.5331 6.6829 6.6829 6.6991 6.6991 6.9139 6.9139 7.3578 7.3578 7.5890 7.5890 7.6188 7.6188 k = 0.1333-0.0000 0.2201 ( 10862 PWs) bands (ev): -64.7819 -64.7819 -64.7761 -64.7761 -36.8452 -36.8452 -36.8384 -36.8384 -35.8978 -35.8978 -35.8914 -35.8914 -35.8305 -35.8305 -35.8212 -35.8212 -8.7378 -8.7378 -8.5861 -8.5861 -7.0584 -7.0584 -5.6175 -5.6175 1.3965 1.3965 1.4533 1.4533 2.5417 2.5417 2.7310 2.7310 3.0957 3.0957 3.3096 3.3096 3.4777 3.4777 3.7183 3.7183 4.0870 4.0870 4.6703 4.6703 4.9302 4.9302 5.1454 5.1454 6.2853 6.2853 6.5628 6.5628 6.6828 6.6828 6.7391 6.7391 6.9055 6.9055 7.3432 7.3432 7.5834 7.5834 7.6254 7.6254 k = 0.1444-0.0000 0.2201 ( 10850 PWs) bands (ev): -64.7814 -64.7814 -64.7756 -64.7756 -36.8452 -36.8452 -36.8386 -36.8386 -35.8980 -35.8980 -35.8917 -35.8917 -35.8303 -35.8303 -35.8211 -35.8211 -8.7265 -8.7265 -8.5743 -8.5743 -7.0445 -7.0445 -5.6187 -5.6187 1.4172 1.4172 1.4764 1.4764 2.5386 2.5386 2.6959 2.6959 3.0875 3.0875 3.3060 3.3060 3.4068 3.4068 3.6715 3.6715 4.0929 4.0929 4.7020 4.7020 4.8685 4.8685 5.0895 5.0895 6.3112 6.3112 6.5899 6.5899 6.6836 6.6836 6.7801 6.7801 6.8994 6.8994 7.3296 7.3296 7.5784 7.5784 7.6335 7.6335 k = 0.1556-0.0000 0.2201 ( 10858 PWs) bands (ev): -64.7814 -64.7814 -64.7761 -64.7761 -36.8454 -36.8454 -36.8388 -36.8388 -35.8984 -35.8984 -35.8921 -35.8921 -35.8302 -35.8302 -35.8211 -35.8211 -8.7145 -8.7145 -8.5619 -8.5619 -7.0296 -7.0296 -5.6202 -5.6202 1.4394 1.4394 1.5003 1.5003 2.5325 2.5325 2.6634 2.6634 3.0719 3.0719 3.3069 3.3069 3.3274 3.3274 3.6308 3.6308 4.0997 4.0997 4.7276 4.7276 4.8127 4.8127 5.0321 5.0321 6.3356 6.3356 6.6145 6.6145 6.6823 6.6823 6.8185 6.8185 6.8888 6.8888 7.3130 7.3130 7.5721 7.5721 7.6420 7.6420 k = 0.1667-0.0000 0.2201 ( 10872 PWs) bands (ev): -64.7814 -64.7814 -64.7770 -64.7770 -36.8457 -36.8457 -36.8391 -36.8391 -35.8989 -35.8989 -35.8926 -35.8926 -35.8302 -35.8302 -35.8211 -35.8211 -8.7018 -8.7018 -8.5489 -8.5489 -7.0136 -7.0136 -5.6222 -5.6222 1.4632 1.4632 1.5247 1.5247 2.5226 2.5226 2.6349 2.6349 3.0480 3.0480 3.2428 3.2428 3.3133 3.3133 3.5948 3.5948 4.1075 4.1075 4.7268 4.7268 4.7824 4.7824 4.9739 4.9739 6.3599 6.3599 6.6309 6.6309 6.6829 6.6829 6.8514 6.8514 6.8822 6.8822 7.2963 7.2963 7.5651 7.5651 7.6496 7.6496 k = 0.1778-0.0000 0.2201 ( 10872 PWs) bands (ev): -64.7811 -64.7811 -64.7772 -64.7772 -36.8458 -36.8458 -36.8393 -36.8393 -35.8993 -35.8993 -35.8930 -35.8930 -35.8300 -35.8300 -35.8211 -35.8211 -8.6884 -8.6884 -8.5355 -8.5355 -6.9964 -6.9964 -5.6247 -5.6247 1.4887 1.4887 1.5496 1.5496 2.5082 2.5082 2.6117 2.6117 3.0158 3.0158 3.1568 3.1568 3.3240 3.3240 3.5628 3.5628 4.1160 4.1160 4.6843 4.6843 4.7919 4.7919 4.9155 4.9155 6.3828 6.3828 6.6430 6.6430 6.6857 6.6857 6.8621 6.8621 6.8964 6.8964 7.2786 7.2786 7.5591 7.5591 7.6603 7.6603 k = 0.1889-0.0000 0.2201 ( 10860 PWs) bands (ev): -64.7806 -64.7806 -64.7769 -64.7769 -36.8459 -36.8459 -36.8395 -36.8395 -35.8995 -35.8995 -35.8934 -35.8934 -35.8298 -35.8298 -35.8211 -35.8211 -8.6745 -8.6745 -8.5216 -8.5216 -6.9782 -6.9782 -5.6277 -5.6277 1.5158 1.5158 1.5744 1.5744 2.4893 2.4893 2.5932 2.5932 2.9738 2.9738 3.0727 3.0727 3.3384 3.3384 3.5346 3.5346 4.1251 4.1251 4.6355 4.6355 4.8013 4.8013 4.8622 4.8622 6.4071 6.4071 6.6520 6.6520 6.6936 6.6936 6.8538 6.8538 6.9268 6.9268 7.2610 7.2610 7.5517 7.5517 7.6713 7.6713 k = 0.2000-0.0000 0.2201 ( 10864 PWs) bands (ev): -64.7804 -64.7804 -64.7773 -64.7773 -36.8461 -36.8461 -36.8398 -36.8398 -35.9000 -35.9000 -35.8938 -35.8938 -35.8296 -35.8296 -35.8211 -35.8211 -8.6600 -8.6600 -8.5073 -8.5073 -6.9588 -6.9588 -5.6313 -5.6313 1.5443 1.5443 1.5987 1.5987 2.4670 2.4670 2.5782 2.5782 2.9193 2.9193 2.9948 2.9948 3.3556 3.3556 3.5102 3.5102 4.1343 4.1343 4.5881 4.5881 4.7764 4.7764 4.8390 4.8390 6.4309 6.4309 6.6534 6.6534 6.7019 6.7019 6.8427 6.8427 6.9563 6.9563 7.2415 7.2415 7.5444 7.5444 7.6807 7.6807 k = 0.2111-0.0000 0.2201 ( 10856 PWs) bands (ev): -64.7801 -64.7801 -64.7770 -64.7770 -36.8462 -36.8462 -36.8400 -36.8400 -35.9002 -35.9002 -35.8942 -35.8942 -35.8294 -35.8294 -35.8211 -35.8211 -8.6450 -8.6450 -8.4928 -8.4928 -6.9384 -6.9384 -5.6356 -5.6356 1.5745 1.5745 1.6220 1.6220 2.4436 2.4436 2.5654 2.5654 2.8511 2.8511 2.9271 2.9271 3.3748 3.3748 3.4897 3.4897 4.1437 4.1437 4.5431 4.5431 4.7205 4.7205 4.8413 4.8413 6.4537 6.4537 6.6550 6.6550 6.7111 6.7111 6.8304 6.8304 6.9830 6.9830 7.2229 7.2229 7.5370 7.5370 7.6909 7.6909 k = 0.2222-0.0000 0.2201 ( 10860 PWs) bands (ev): -64.7801 -64.7801 -64.7772 -64.7772 -36.8463 -36.8463 -36.8404 -36.8404 -35.9006 -35.9006 -35.8948 -35.8948 -35.8293 -35.8293 -35.8212 -35.8212 -8.6296 -8.6296 -8.4782 -8.4782 -6.9169 -6.9169 -5.6406 -5.6406 1.6061 1.6061 1.6438 1.6438 2.4193 2.4193 2.5530 2.5530 2.7748 2.7748 2.8657 2.8657 3.3956 3.3956 3.4727 3.4727 4.1528 4.1528 4.5009 4.5009 4.6596 4.6596 4.8431 4.8431 6.4754 6.4754 6.6536 6.6536 6.7199 6.7199 6.8164 6.8164 7.0063 7.0063 7.2032 7.2032 7.5293 7.5293 7.6996 7.6996 k = 0.2333-0.0000 0.2201 ( 10856 PWs) bands (ev): -64.7798 -64.7798 -64.7772 -64.7772 -36.8464 -36.8464 -36.8406 -36.8406 -35.9009 -35.9009 -35.8953 -35.8953 -35.8291 -35.8291 -35.8211 -35.8211 -8.6138 -8.6138 -8.4635 -8.4635 -6.8943 -6.8943 -5.6464 -5.6464 1.6393 1.6393 1.6635 1.6635 2.3945 2.3945 2.5403 2.5403 2.6979 2.6979 2.8068 2.8068 3.4176 3.4176 3.4593 3.4593 4.1614 4.1614 4.4617 4.4617 4.5976 4.5976 4.8409 4.8409 6.4965 6.4965 6.6517 6.6517 6.7269 6.7269 6.8037 6.8037 7.0271 7.0271 7.1842 7.1842 7.5223 7.5223 7.7068 7.7068 k = 0.2444-0.0000 0.2201 ( 10862 PWs) bands (ev): -64.7800 -64.7800 -64.7773 -64.7773 -36.8466 -36.8466 -36.8410 -36.8410 -35.9013 -35.9013 -35.8958 -35.8958 -35.8289 -35.8289 -35.8212 -35.8212 -8.5977 -8.5977 -8.4487 -8.4487 -6.8706 -6.8706 -5.6530 -5.6530 1.6738 1.6738 1.6807 1.6807 2.3676 2.3676 2.5260 2.5260 2.6250 2.6250 2.7499 2.7499 3.4388 3.4388 3.4499 3.4499 4.1687 4.1687 4.4256 4.4256 4.5355 4.5355 4.8337 4.8337 6.5170 6.5170 6.6487 6.6487 6.7329 6.7329 6.7907 6.7907 7.0415 7.0415 7.1642 7.1642 7.5161 7.5161 7.7117 7.7117 k = 0.2556-0.0000 0.2201 ( 10858 PWs) bands (ev): -64.7797 -64.7797 -64.7773 -64.7773 -36.8467 -36.8467 -36.8413 -36.8413 -35.9016 -35.9016 -35.8963 -35.8963 -35.8286 -35.8286 -35.8213 -35.8213 -8.5813 -8.5813 -8.4341 -8.4341 -6.8459 -6.8459 -5.6607 -5.6607 1.6946 1.6946 1.7100 1.7100 2.3365 2.3365 2.5071 2.5071 2.5610 2.5610 2.6975 2.6975 3.4386 3.4386 3.4651 3.4651 4.1744 4.1744 4.3929 4.3929 4.4746 4.4746 4.8217 4.8217 6.5370 6.5370 6.6445 6.6445 6.7372 6.7372 6.7786 6.7786 7.0530 7.0530 7.1470 7.1470 7.5116 7.5116 7.7152 7.7152 k = 0.2667-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7793 -64.7793 -64.7772 -64.7772 -36.8468 -36.8468 -36.8415 -36.8415 -35.9020 -35.9020 -35.8968 -35.8968 -35.8284 -35.8284 -35.8213 -35.8213 -8.5648 -8.5648 -8.4197 -8.4197 -6.8201 -6.8201 -5.6693 -5.6693 1.7052 1.7052 1.7476 1.7476 2.2984 2.2984 2.4726 2.4726 2.5162 2.5162 2.6545 2.6545 3.4321 3.4321 3.4880 3.4880 4.1777 4.1777 4.3623 4.3623 4.4172 4.4172 4.8049 4.8049 6.5573 6.5573 6.6418 6.6418 6.7391 6.7391 6.7691 6.7691 7.0573 7.0573 7.1326 7.1326 7.5089 7.5089 7.7159 7.7159 k = 0.2778-0.0000 0.2201 ( 10844 PWs) bands (ev): -64.7787 -64.7787 -64.7771 -64.7771 -36.8469 -36.8469 -36.8418 -36.8418 -35.9023 -35.9023 -35.8972 -35.8972 -35.8282 -35.8282 -35.8213 -35.8213 -8.5481 -8.5481 -8.4055 -8.4055 -6.7934 -6.7934 -5.6789 -5.6789 1.7120 1.7120 1.7866 1.7866 2.2526 2.2526 2.4212 2.4212 2.4886 2.4886 2.6262 2.6262 3.4264 3.4264 3.5107 3.5107 4.1776 4.1776 4.3271 4.3271 4.3715 4.3715 4.7838 4.7838 6.5771 6.5771 6.6379 6.6379 6.7353 6.7353 6.7643 6.7643 7.0557 7.0557 7.1217 7.1217 7.5075 7.5075 7.7161 7.7161 k = 0.2889-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7789 -64.7789 -64.7774 -64.7774 -36.8471 -36.8471 -36.8422 -36.8422 -35.9027 -35.9027 -35.8978 -35.8978 -35.8279 -35.8279 -35.8214 -35.8214 -8.5313 -8.5313 -8.3917 -8.3917 -6.7657 -6.7657 -5.6897 -5.6897 1.7149 1.7149 1.8268 1.8268 2.2012 2.2012 2.3642 2.3642 2.4637 2.4637 2.6147 2.6147 3.4211 3.4211 3.5319 3.5319 4.1732 4.1732 4.2787 4.2787 4.3466 4.3466 4.7589 4.7589 6.5942 6.5942 6.6319 6.6319 6.7247 6.7247 6.7634 6.7634 7.0464 7.0464 7.1126 7.1126 7.5069 7.5069 7.7162 7.7162 k = 0.3000-0.0000 0.2201 ( 10856 PWs) bands (ev): -64.7790 -64.7790 -64.7776 -64.7776 -36.8472 -36.8472 -36.8425 -36.8425 -35.9030 -35.9030 -35.8983 -35.8983 -35.8277 -35.8277 -35.8215 -35.8215 -8.5145 -8.5145 -8.3784 -8.3784 -6.7370 -6.7370 -5.7017 -5.7017 1.7140 1.7140 1.8683 1.8683 2.1479 2.1479 2.3040 2.3040 2.4391 2.4391 2.6173 2.6173 3.4161 3.4161 3.5509 3.5509 4.1640 4.1640 4.2276 4.2276 4.3348 4.3348 4.7307 4.7307 6.6092 6.6092 6.6281 6.6281 6.7114 6.7114 6.7667 6.7667 7.0333 7.0333 7.1055 7.1055 7.5084 7.5084 7.7139 7.7139 k = 0.3111-0.0000 0.2201 ( 10858 PWs) bands (ev): -64.7792 -64.7792 -64.7774 -64.7774 -36.8473 -36.8473 -36.8428 -36.8428 -35.9033 -35.9033 -35.8989 -35.8989 -35.8275 -35.8275 -35.8216 -35.8216 -8.4978 -8.4978 -8.3656 -8.3656 -6.7075 -6.7075 -5.7148 -5.7148 1.7090 1.7090 1.9106 1.9106 2.0965 2.0965 2.2416 2.2416 2.4149 2.4149 2.6305 2.6305 3.4106 3.4106 3.5663 3.5663 4.1464 4.1464 4.1843 4.1843 4.3295 4.3295 4.6998 4.6998 6.6136 6.6136 6.6338 6.6338 6.6967 6.6967 6.7723 6.7723 7.0184 7.0184 7.0963 7.0963 7.5113 7.5113 7.7114 7.7114 k = 0.3222-0.0000 0.2201 ( 10858 PWs) bands (ev): -64.7792 -64.7792 -64.7773 -64.7773 -36.8473 -36.8473 -36.8432 -36.8432 -35.9035 -35.9035 -35.8994 -35.8994 -35.8273 -35.8273 -35.8217 -35.8217 -8.4812 -8.4812 -8.3534 -8.3534 -6.6770 -6.6770 -5.7292 -5.7292 1.7001 1.7001 1.9521 1.9521 2.0507 2.0507 2.1786 2.1786 2.3908 2.3908 2.6516 2.6516 3.4047 3.4047 3.5765 3.5765 4.1135 4.1135 4.1602 4.1602 4.3279 4.3279 4.6668 4.6668 6.6081 6.6081 6.6472 6.6472 6.6810 6.6810 6.7781 6.7781 7.0022 7.0022 7.0845 7.0845 7.5177 7.5177 7.7118 7.7118 k = 0.3333-0.0000 0.2201 ( 10856 PWs) bands (ev): -64.7785 -64.7785 -64.7779 -64.7779 -36.8475 -36.8475 -36.8434 -36.8434 -35.9039 -35.9039 -35.8998 -35.8998 -35.8271 -35.8271 -35.8217 -35.8217 -8.4648 -8.4648 -8.3419 -8.3419 -6.6458 -6.6458 -5.7449 -5.7449 1.6870 1.6870 1.9782 1.9782 2.0269 2.0269 2.1162 2.1162 2.3664 2.3664 2.6784 2.6784 3.3982 3.3982 3.5795 3.5795 4.0776 4.0776 4.1471 4.1471 4.3284 4.3284 4.6324 4.6324 6.6012 6.6012 6.6631 6.6631 6.6643 6.6643 6.7824 6.7824 6.9858 6.9858 7.0737 7.0737 7.5252 7.5252 7.7089 7.7089 k = 0.3444-0.0000 0.2201 ( 10844 PWs) bands (ev): -64.7781 -64.7781 -64.7774 -64.7774 -36.8476 -36.8476 -36.8436 -36.8436 -35.9041 -35.9041 -35.9000 -35.9000 -35.8269 -35.8269 -35.8217 -35.8217 -8.4487 -8.4487 -8.3312 -8.3312 -6.6137 -6.6137 -5.7619 -5.7619 1.6699 1.6699 1.9562 1.9562 2.0543 2.0543 2.0599 2.0599 2.3415 2.3415 2.7099 2.7099 3.3908 3.3908 3.5732 3.5732 4.0488 4.0488 4.1375 4.1375 4.3295 4.3295 4.5974 4.5974 6.5935 6.5935 6.6488 6.6488 6.6801 6.6801 6.7860 6.7860 6.9706 6.9706 7.0598 7.0598 7.5344 7.5344 7.7077 7.7077 k = 0.3556-0.0000 0.2201 ( 10848 PWs) bands (ev): -64.7783 -64.7783 -64.7774 -64.7774 -36.8477 -36.8477 -36.8439 -36.8439 -35.9044 -35.9044 -35.9005 -35.9005 -35.8267 -35.8267 -35.8217 -35.8217 -8.4330 -8.4330 -8.3214 -8.3214 -6.5811 -6.5811 -5.7803 -5.7803 1.6493 1.6493 1.9255 1.9255 1.9995 1.9995 2.1043 2.1043 2.3161 2.3161 2.7444 2.7444 3.3827 3.3827 3.5555 3.5555 4.0300 4.0300 4.1302 4.1302 4.3305 4.3305 4.5619 4.5619 6.5849 6.5849 6.6343 6.6343 6.6944 6.6944 6.7878 6.7878 6.9564 6.9564 7.0420 7.0420 7.5436 7.5436 7.7060 7.7060 k = 0.3667-0.0000 0.2201 ( 10836 PWs) bands (ev): -64.7776 -64.7776 -64.7773 -64.7773 -36.8476 -36.8476 -36.8441 -36.8441 -35.9045 -35.9045 -35.9010 -35.9010 -35.8264 -35.8264 -35.8219 -35.8219 -8.4177 -8.4177 -8.3124 -8.3124 -6.5477 -6.5477 -5.7999 -5.7999 1.6260 1.6260 1.8936 1.8936 1.9520 1.9520 2.1533 2.1533 2.2902 2.2902 2.7813 2.7813 3.3740 3.3740 3.5268 3.5268 4.0219 4.0219 4.1252 4.1252 4.3306 4.3306 4.5268 4.5268 6.5772 6.5772 6.6224 6.6224 6.7089 6.7089 6.7903 6.7903 6.9460 6.9460 7.0234 7.0234 7.5527 7.5527 7.7044 7.7044 k = 0.3778-0.0000 0.2201 ( 10846 PWs) bands (ev): -64.7781 -64.7781 -64.7775 -64.7775 -36.8477 -36.8477 -36.8445 -36.8445 -35.9048 -35.9048 -35.9015 -35.9015 -35.8262 -35.8262 -35.8220 -35.8220 -8.4028 -8.4028 -8.3044 -8.3044 -6.5139 -6.5139 -5.8210 -5.8210 1.6012 1.6012 1.8540 1.8540 1.9206 1.9206 2.2037 2.2037 2.2638 2.2638 2.8194 2.8194 3.3640 3.3640 3.4883 3.4883 4.0230 4.0230 4.1222 4.1222 4.3288 4.3288 4.4929 4.4929 6.5682 6.5682 6.6078 6.6078 6.7216 6.7216 6.7918 6.7918 6.9336 6.9336 7.0029 7.0029 7.5623 7.5623 7.7013 7.7013 k = 0.3889-0.0000 0.2201 ( 10850 PWs) bands (ev): -64.7782 -64.7782 -64.7777 -64.7777 -36.8477 -36.8477 -36.8448 -36.8448 -35.9049 -35.9049 -35.9019 -35.9019 -35.8260 -35.8260 -35.8221 -35.8221 -8.3885 -8.3885 -8.2975 -8.2975 -6.4796 -6.4796 -5.8433 -5.8433 1.5763 1.5763 1.8079 1.8079 1.9040 1.9040 2.2353 2.2353 2.2574 2.2574 2.8583 2.8583 3.3534 3.3534 3.4425 3.4425 4.0308 4.0308 4.1217 4.1217 4.3246 4.3246 4.4609 4.4609 6.5592 6.5592 6.5944 6.5944 6.7343 6.7343 6.7937 6.7937 6.9220 6.9220 6.9828 6.9828 7.5718 7.5718 7.6995 7.6995 k = 0.4000-0.0000 0.2201 ( 10838 PWs) bands (ev): -64.7776 -64.7776 -64.7774 -64.7774 -36.8477 -36.8477 -36.8450 -36.8450 -35.9050 -35.9050 -35.9023 -35.9023 -35.8257 -35.8257 -35.8222 -35.8222 -8.3749 -8.3749 -8.2915 -8.2915 -6.4448 -6.4448 -5.8670 -5.8670 1.5525 1.5525 1.7612 1.7612 1.8961 1.8961 2.2092 2.2092 2.3098 2.3098 2.8973 2.8973 3.3418 3.3418 3.3921 3.3921 4.0430 4.0430 4.1239 4.1239 4.3174 4.3174 4.4320 4.4320 6.5511 6.5511 6.5820 6.5820 6.7460 6.7460 6.7950 6.7950 6.9126 6.9126 6.9643 6.9643 7.5835 7.5835 7.6989 7.6989 k = 0.4111-0.0000 0.2201 ( 10840 PWs) bands (ev): -64.7780 -64.7780 -64.7772 -64.7772 -36.8477 -36.8477 -36.8453 -36.8453 -35.9051 -35.9051 -35.9026 -35.9026 -35.8255 -35.8255 -35.8224 -35.8224 -8.3619 -8.3619 -8.2867 -8.2867 -6.4098 -6.4098 -5.8919 -5.8919 1.5308 1.5308 1.7161 1.7161 1.8937 1.8937 2.1821 2.1821 2.3640 2.3640 2.9358 2.9358 3.3216 3.3216 3.3450 3.3450 4.0572 4.0572 4.1289 4.1289 4.3063 4.3063 4.4069 4.4069 6.5425 6.5425 6.5696 6.5696 6.7567 6.7567 6.7959 6.7959 6.9030 6.9030 6.9492 6.9492 7.5926 7.5926 7.6958 7.6958 k = 0.4222-0.0000 0.2201 ( 10840 PWs) bands (ev): -64.7780 -64.7780 -64.7773 -64.7773 -36.8477 -36.8477 -36.8455 -36.8455 -35.9052 -35.9052 -35.9029 -35.9029 -35.8252 -35.8252 -35.8226 -35.8226 -8.3497 -8.3497 -8.2830 -8.2830 -6.3746 -6.3746 -5.9181 -5.9181 1.5119 1.5119 1.6741 1.6741 1.8954 1.8954 2.1550 2.1550 2.4196 2.4196 2.9729 2.9729 3.2733 3.2733 3.3236 3.3236 4.0714 4.0714 4.1374 4.1374 4.2912 4.2912 4.3858 4.3858 6.5350 6.5350 6.5590 6.5590 6.7667 6.7667 6.7967 6.7967 6.8949 6.8949 6.9326 6.9326 7.6019 7.6019 7.6929 7.6929 k = 0.4333-0.0000 0.2201 ( 10842 PWs) bands (ev): -64.7782 -64.7782 -64.7773 -64.7773 -36.8477 -36.8477 -36.8458 -36.8458 -35.9053 -35.9053 -35.9032 -35.9032 -35.8251 -35.8251 -35.8227 -35.8227 -8.3382 -8.3382 -8.2805 -8.2805 -6.3393 -6.3393 -5.9455 -5.9455 1.4963 1.4963 1.6355 1.6355 1.9005 1.9005 2.1282 2.1282 2.4762 2.4762 3.0076 3.0076 3.2166 3.2166 3.3090 3.3090 4.0842 4.0842 4.1495 4.1495 4.2733 4.2733 4.3680 4.3680 6.5284 6.5284 6.5479 6.5479 6.7759 6.7759 6.7980 6.7980 6.8870 6.8870 6.9165 6.9165 7.6118 7.6118 7.6894 7.6894 k = 0.4444-0.0000 0.2201 ( 10844 PWs) bands (ev): -64.7783 -64.7783 -64.7773 -64.7773 -36.8476 -36.8476 -36.8460 -36.8460 -35.9053 -35.9053 -35.9036 -35.9036 -35.8249 -35.8249 -35.8229 -35.8229 -8.3277 -8.3277 -8.2791 -8.2791 -6.3040 -6.3040 -5.9740 -5.9740 1.4845 1.4845 1.6006 1.6006 1.9086 1.9086 2.1019 2.1019 2.5336 2.5336 3.0371 3.0371 3.1616 3.1616 3.2945 3.2945 4.0954 4.0954 4.1641 4.1641 4.2546 4.2546 4.3523 4.3523 6.5224 6.5224 6.5388 6.5388 6.7833 6.7833 6.7989 6.7989 6.8799 6.8799 6.9017 6.9017 7.6211 7.6211 7.6858 7.6858 k = 0.4556-0.0000 0.2201 ( 10846 PWs) bands (ev): -64.7783 -64.7783 -64.7775 -64.7775 -36.8475 -36.8475 -36.8462 -36.8462 -35.9053 -35.9053 -35.9039 -35.9039 -35.8247 -35.8247 -35.8230 -35.8230 -8.3180 -8.3180 -8.2788 -8.2788 -6.2688 -6.2688 -6.0036 -6.0036 1.4766 1.4766 1.5697 1.5697 1.9194 1.9194 2.0763 2.0763 2.5921 2.5921 3.0459 3.0459 3.1244 3.1244 3.2792 3.2792 4.1057 4.1057 4.1787 4.1787 4.2380 4.2380 4.3373 4.3373 6.5185 6.5185 6.5308 6.5308 6.7900 6.7900 6.8006 6.8006 6.8735 6.8735 6.8868 6.8868 7.6305 7.6305 7.6813 7.6813 k = 0.4667-0.0000 0.2201 ( 10842 PWs) bands (ev): -64.7779 -64.7779 -64.7776 -64.7776 -36.8474 -36.8474 -36.8465 -36.8465 -35.9052 -35.9052 -35.9042 -35.9042 -35.8244 -35.8244 -35.8232 -35.8232 -8.3094 -8.3094 -8.2798 -8.2798 -6.2338 -6.2338 -6.0342 -6.0342 1.4730 1.4730 1.5429 1.5429 1.9326 1.9326 2.0515 2.0515 2.6513 2.6513 3.0088 3.0088 3.1308 3.1308 3.2624 3.2624 4.1160 4.1160 4.1859 4.1859 4.2305 4.2305 4.3221 4.3221 6.5156 6.5156 6.5252 6.5252 6.7954 6.7954 6.8032 6.8032 6.8685 6.8685 6.8763 6.8763 7.6388 7.6388 7.6772 7.6772 k = 0.4778-0.0000 0.2201 ( 10850 PWs) bands (ev): -64.7781 -64.7781 -64.7780 -64.7780 -36.8473 -36.8473 -36.8467 -36.8467 -35.9051 -35.9051 -35.9045 -35.9045 -35.8242 -35.8242 -35.8234 -35.8234 -8.3017 -8.3017 -8.2819 -8.2819 -6.1991 -6.1991 -6.0658 -6.0658 1.4737 1.4737 1.5203 1.5203 1.9479 1.9479 2.0279 2.0279 2.7111 2.7111 2.9526 2.9526 3.1538 3.1538 3.2441 3.2441 4.1269 4.1269 4.1787 4.1787 4.2389 4.2389 4.3063 4.3063 6.5135 6.5135 6.5199 6.5199 6.7990 6.7990 6.8036 6.8036 6.8633 6.8633 6.8673 6.8673 7.6462 7.6462 7.6724 7.6724 k = 0.4889-0.0000 0.2201 ( 10856 PWs) bands (ev): -64.7783 -64.7783 -64.7782 -64.7782 -36.8472 -36.8472 -36.8469 -36.8469 -35.9051 -35.9051 -35.9048 -35.9048 -35.8240 -35.8240 -35.8236 -35.8236 -8.2951 -8.2951 -8.2852 -8.2852 -6.1649 -6.1649 -6.0981 -6.0981 1.4787 1.4787 1.5021 1.5021 1.9653 1.9653 2.0055 2.0055 2.7714 2.7714 2.8928 2.8928 3.1784 3.1784 3.2238 3.2238 4.1385 4.1385 4.1653 4.1653 4.2548 4.2548 4.2896 4.2896 6.5129 6.5129 6.5161 6.5161 6.8022 6.8022 6.8044 6.8044 6.8603 6.8603 6.8620 6.8620 7.6534 7.6534 7.6665 7.6665 k = 0.5000-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2896 -8.2896 -8.2896 -8.2896 -6.1312 -6.1312 -6.1312 -6.1312 1.4882 1.4882 1.4882 1.4882 1.9846 1.9846 1.9846 1.9846 2.8322 2.8322 2.8322 2.8322 3.2020 3.2020 3.2020 3.2020 4.1515 4.1515 4.1515 4.1515 4.2723 4.2723 4.2723 4.2723 6.5138 6.5138 6.5138 6.5138 6.8046 6.8046 6.8046 6.8046 6.8602 6.8602 6.8602 6.8602 7.6603 7.6603 7.6603 7.6603 k = 0.5000-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2896 -8.2896 -8.2896 -8.2896 -6.1312 -6.1312 -6.1312 -6.1312 1.4882 1.4882 1.4882 1.4882 1.9846 1.9846 1.9846 1.9846 2.8322 2.8322 2.8322 2.8322 3.2020 3.2020 3.2020 3.2020 4.1515 4.1515 4.1515 4.1515 4.2723 4.2723 4.2723 4.2723 6.5138 6.5138 6.5138 6.5138 6.8046 6.8046 6.8046 6.8046 6.8602 6.8602 6.8602 6.8602 7.6603 7.6603 7.6603 7.6603 k = 0.5000 0.0111 0.2201 ( 10860 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8239 -35.8239 -35.8239 -35.8239 -8.2895 -8.2895 -8.2895 -8.2895 -6.1307 -6.1307 -6.1306 -6.1306 1.4866 1.4866 1.4874 1.4874 1.9837 1.9837 1.9847 1.9847 2.8239 2.8239 2.8316 2.8316 3.1983 3.1983 3.2073 3.2073 4.1515 4.1515 4.1571 4.1571 4.2714 4.2714 4.2734 4.2734 6.5044 6.5044 6.5097 6.5097 6.8004 6.8004 6.8050 6.8050 6.8613 6.8613 6.8645 6.8645 7.6643 7.6643 7.6678 7.6678 k = 0.5000 0.0223 0.2201 ( 10860 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8239 -35.8239 -35.8239 -35.8239 -8.2894 -8.2894 -8.2894 -8.2894 -6.1293 -6.1293 -6.1291 -6.1291 1.4829 1.4829 1.4844 1.4844 1.9823 1.9823 1.9842 1.9842 2.8079 2.8079 2.8225 2.8225 3.1965 3.1965 3.2134 3.2134 4.1561 4.1561 4.1679 4.1679 4.2710 4.2710 4.2755 4.2755 6.4855 6.4855 6.4955 6.4955 6.7960 6.7960 6.8034 6.8034 6.8681 6.8681 6.8730 6.8730 7.6820 7.6820 7.6888 7.6888 k = 0.5000 0.0334 0.2201 ( 10860 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8471 -36.8471 -36.8471 -36.8471 -35.9050 -35.9050 -35.9049 -35.9049 -35.8239 -35.8239 -35.8239 -35.8239 -8.2892 -8.2892 -8.2892 -8.2892 -6.1269 -6.1269 -6.1267 -6.1267 1.4767 1.4767 1.4791 1.4791 1.9801 1.9801 1.9830 1.9830 2.7859 2.7859 2.8057 2.8057 3.1965 3.1965 3.2196 3.2196 4.1629 4.1629 4.1816 4.1816 4.2722 4.2722 4.2805 4.2805 6.4586 6.4586 6.4725 6.4725 6.7929 6.7929 6.8013 6.8013 6.8770 6.8770 6.8826 6.8826 7.7117 7.7117 7.7213 7.7213 k = 0.5000 0.0446 0.2201 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2889 -8.2889 -8.2889 -8.2889 -6.1236 -6.1236 -6.1232 -6.1232 1.4681 1.4681 1.4712 1.4712 1.9774 1.9774 1.9809 1.9809 2.7597 2.7597 2.7831 2.7831 3.1977 3.1977 3.2251 3.2251 4.1683 4.1683 4.1940 4.1940 4.2782 4.2782 4.2907 4.2907 6.4267 6.4267 6.4434 6.4434 6.7920 6.7920 6.8004 6.8004 6.8873 6.8873 6.8929 6.8929 7.7522 7.7522 7.7642 7.7642 k = 0.5000 0.0557 0.2201 ( 10844 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8238 -35.8238 -35.8238 -35.8238 -8.2885 -8.2885 -8.2885 -8.2885 -6.1194 -6.1194 -6.1189 -6.1189 1.4568 1.4568 1.4608 1.4608 1.9739 1.9739 1.9779 1.9779 2.7313 2.7313 2.7569 2.7569 3.1994 3.1994 3.2295 3.2295 4.1691 4.1691 4.1997 4.1997 4.2928 4.2928 4.3078 4.3078 6.3913 6.3913 6.4101 6.4101 6.7918 6.7918 6.7998 6.7998 6.8967 6.8967 6.9021 6.9021 7.8024 7.8024 7.8162 7.8162 k = 0.5000 0.0669 0.2201 ( 10848 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2881 -8.2881 -8.2880 -8.2880 -6.1143 -6.1143 -6.1137 -6.1137 1.4424 1.4424 1.4473 1.4473 1.9698 1.9698 1.9740 1.9740 2.7021 2.7021 2.7286 2.7286 3.2010 3.2010 3.2324 3.2324 4.1642 4.1642 4.1970 4.1970 4.3160 4.3160 4.3313 4.3313 6.3550 6.3550 6.3752 6.3752 6.7914 6.7914 6.7988 6.7988 6.9050 6.9050 6.9099 6.9099 7.8578 7.8578 7.8730 7.8730 k = 0.5000 0.0780 0.2201 ( 10852 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2875 -8.2875 -8.2875 -8.2875 -6.1083 -6.1083 -6.1077 -6.1077 1.4249 1.4249 1.4306 1.4306 1.9650 1.9650 1.9692 1.9692 2.6741 2.6741 2.7004 2.7004 3.2023 3.2023 3.2339 3.2339 4.1541 4.1541 4.1878 4.1878 4.3443 4.3443 4.3592 4.3592 6.3207 6.3207 6.3419 6.3419 6.7916 6.7916 6.7983 6.7983 6.9117 6.9117 6.9162 6.9162 7.9177 7.9177 7.9339 7.9339 k = 0.5000 0.0891 0.2201 ( 10852 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2869 -8.2869 -8.2869 -8.2869 -6.1015 -6.1015 -6.1008 -6.1008 1.4040 1.4040 1.4106 1.4106 1.9597 1.9597 1.9635 1.9635 2.6482 2.6482 2.6735 2.6735 3.2030 3.2030 3.2342 3.2342 4.1396 4.1396 4.1742 4.1742 4.3741 4.3741 4.3888 4.3888 6.2905 6.2905 6.3121 6.3121 6.7934 6.7934 6.7993 6.7993 6.9176 6.9176 6.9217 6.9217 7.9814 7.9814 7.9985 7.9985 k = 0.5000 0.1003 0.2201 ( 10848 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2863 -8.2863 -8.2863 -8.2863 -6.0940 -6.0940 -6.0932 -6.0932 1.3797 1.3797 1.3870 1.3870 1.9540 1.9540 1.9571 1.9571 2.6258 2.6258 2.6494 2.6494 3.2029 3.2029 3.2330 3.2330 4.1216 4.1216 4.1571 4.1571 4.4031 4.4031 4.4180 4.4180 6.2649 6.2649 6.2866 6.2866 6.7956 6.7956 6.8008 6.8008 6.9238 6.9238 6.9275 6.9275 8.0480 8.0480 8.0654 8.0654 k = 0.5000 0.1114 0.2201 ( 10848 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2856 -8.2856 -8.2856 -8.2856 -6.0858 -6.0858 -6.0849 -6.0849 1.3518 1.3518 1.3598 1.3598 1.9479 1.9479 1.9502 1.9502 2.6075 2.6075 2.6288 2.6288 3.2021 3.2021 3.2307 3.2307 4.1005 4.1005 4.1369 4.1369 4.4296 4.4296 4.4452 4.4452 6.2447 6.2447 6.2662 6.2662 6.7984 6.7984 6.8030 6.8030 6.9284 6.9284 6.9317 6.9317 8.1160 8.1160 8.1336 8.1336 k = 0.5000 0.1226 0.2201 ( 10844 PWs) bands (ev): -64.7777 -64.7777 -64.7777 -64.7777 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2848 -8.2848 -8.2848 -8.2848 -6.0769 -6.0769 -6.0760 -6.0760 1.3205 1.3205 1.3290 1.3290 1.9419 1.9419 1.9430 1.9430 2.5937 2.5937 2.6124 2.6124 3.2006 3.2006 3.2274 3.2274 4.0766 4.0766 4.1138 4.1138 4.4526 4.4526 4.4691 4.4691 6.2317 6.2317 6.2528 6.2528 6.8010 6.8010 6.8050 6.8050 6.9332 6.9332 6.9361 6.9361 8.1843 8.1843 8.2018 8.2018 k = 0.5000 0.1337 0.2201 ( 10840 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2840 -8.2840 -8.2840 -8.2840 -6.0675 -6.0675 -6.0665 -6.0665 1.2859 1.2859 1.2948 1.2948 1.9359 1.9359 1.9359 1.9359 2.5845 2.5845 2.6002 2.6002 3.1987 3.1987 3.2234 3.2234 4.0501 4.0501 4.0881 4.0881 4.4712 4.4712 4.4888 4.4888 6.2247 6.2247 6.2451 6.2451 6.8046 6.8046 6.8080 6.8080 6.9376 6.9376 6.9399 6.9399 8.2524 8.2524 8.2696 8.2696 k = 0.5000 0.1449 0.2201 ( 10840 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2832 -8.2832 -8.2831 -8.2831 -6.0576 -6.0576 -6.0566 -6.0566 1.2484 1.2484 1.2575 1.2575 1.9291 1.9291 1.9303 1.9303 2.5799 2.5799 2.5923 2.5923 3.1962 3.1962 3.2186 3.2186 4.0213 4.0213 4.0598 4.0598 4.4851 4.4851 4.5039 4.5039 6.2248 6.2248 6.2442 6.2442 6.8080 6.8080 6.8108 6.8108 6.9410 6.9410 6.9429 6.9429 8.3191 8.3191 8.3358 8.3358 k = 0.5000 0.1560 0.2201 ( 10840 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2823 -8.2823 -8.2823 -8.2823 -6.0473 -6.0473 -6.0463 -6.0463 1.2082 1.2082 1.2174 1.2174 1.9228 1.9228 1.9251 1.9251 2.5797 2.5797 2.5887 2.5887 3.1933 3.1933 3.2132 3.2132 3.9900 3.9900 4.0288 4.0288 4.4944 4.4944 4.5143 4.5143 6.2308 6.2308 6.2493 6.2493 6.8120 6.8120 6.8144 6.8144 6.9447 6.9447 6.9461 6.9461 8.3836 8.3836 8.3996 8.3996 k = 0.5000 0.1672 0.2201 ( 10840 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2814 -8.2814 -8.2814 -8.2814 -6.0367 -6.0367 -6.0357 -6.0357 1.1661 1.1661 1.1753 1.1753 1.9172 1.9172 1.9205 1.9205 2.5835 2.5835 2.5889 2.5889 3.1901 3.1901 3.2073 3.2073 3.9567 3.9567 3.9954 3.9954 4.4991 4.4991 4.5200 4.5200 6.2446 6.2446 6.2619 6.2619 6.8152 6.8152 6.8170 6.8170 6.9484 6.9484 6.9493 6.9493 8.4453 8.4453 8.4604 8.4604 k = 0.5000 0.1783 0.2201 ( 10840 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8240 -35.8240 -35.8238 -35.8238 -8.2805 -8.2805 -8.2805 -8.2805 -6.0259 -6.0259 -6.0248 -6.0248 1.1225 1.1225 1.1316 1.1316 1.9124 1.9124 1.9166 1.9166 2.5911 2.5911 2.5929 2.5929 3.1868 3.1868 3.2009 3.2009 3.9215 3.9215 3.9597 3.9597 4.5000 4.5000 4.5215 4.5215 6.2627 6.2627 6.2788 6.2788 6.8186 6.8186 6.8200 6.8200 6.9516 6.9516 6.9522 6.9522 8.5050 8.5050 8.5190 8.5190 k = 0.5000 0.1894 0.2201 ( 10840 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9048 -35.9048 -35.8240 -35.8240 -35.8239 -35.8239 -8.2796 -8.2796 -8.2796 -8.2796 -6.0150 -6.0150 -6.0139 -6.0139 1.0782 1.0782 1.0870 1.0870 1.9084 1.9084 1.9134 1.9134 2.6003 2.6003 2.6020 2.6020 3.1834 3.1834 3.1943 3.1943 3.8844 3.8844 3.9217 3.9217 4.4976 4.4976 4.5195 4.5195 6.2838 6.2838 6.2988 6.2988 6.8229 6.8229 6.8239 6.8239 6.9553 6.9553 6.9554 6.9554 8.5608 8.5608 8.5736 8.5736 k = 0.5000 0.2006 0.2201 ( 10840 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8471 -36.8471 -36.8471 -36.8471 -35.9051 -35.9051 -35.9048 -35.9048 -35.8240 -35.8240 -35.8238 -35.8238 -8.2787 -8.2787 -8.2786 -8.2786 -6.0040 -6.0040 -6.0029 -6.0029 1.0335 1.0335 1.0419 1.0419 1.9053 1.9053 1.9107 1.9107 2.6108 2.6108 2.6161 2.6161 3.1799 3.1799 3.1873 3.1873 3.8457 3.8457 3.8817 3.8817 4.4925 4.4925 4.5145 4.5145 6.3094 6.3094 6.3231 6.3231 6.8273 6.8273 6.8279 6.8279 6.9586 6.9586 6.9588 6.9588 8.6124 8.6124 8.6238 8.6238 k = 0.5000 0.2117 0.2201 ( 10844 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8472 -36.8472 -36.8471 -36.8471 -35.9051 -35.9051 -35.9048 -35.9048 -35.8241 -35.8241 -35.8239 -35.8239 -8.2778 -8.2778 -8.2778 -8.2778 -5.9931 -5.9931 -5.9920 -5.9920 0.9891 0.9891 0.9972 0.9972 1.9028 1.9028 1.9087 1.9087 2.6239 2.6239 2.6329 2.6329 3.1767 3.1767 3.1802 3.1802 3.8057 3.8057 3.8399 3.8399 4.4854 4.4854 4.5071 4.5071 6.3361 6.3361 6.3487 6.3487 6.8311 6.8311 6.8314 6.8314 6.9619 6.9619 6.9624 6.9624 8.6586 8.6586 8.6686 8.6686 k = 0.5000 0.2229 0.2201 ( 10840 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8472 -36.8472 -36.8471 -36.8471 -35.9051 -35.9051 -35.9048 -35.9048 -35.8241 -35.8241 -35.8239 -35.8239 -8.2769 -8.2769 -8.2769 -8.2769 -5.9824 -5.9824 -5.9813 -5.9813 0.9458 0.9458 0.9534 0.9534 1.9010 1.9010 1.9072 1.9072 2.6395 2.6395 2.6521 2.6521 3.1731 3.1731 3.1738 3.1738 3.7646 3.7646 3.7966 3.7966 4.4768 4.4768 4.4980 4.4980 6.3648 6.3648 6.3763 6.3763 6.8357 6.8357 6.8358 6.8358 6.9659 6.9659 6.9668 6.9668 8.6996 8.6996 8.7083 8.7083 k = 0.5000 0.2340 0.2201 ( 10824 PWs) bands (ev): -64.7768 -64.7768 -64.7768 -64.7768 -36.8471 -36.8471 -36.8470 -36.8470 -35.9050 -35.9050 -35.9047 -35.9047 -35.8240 -35.8240 -35.8238 -35.8238 -8.2761 -8.2761 -8.2760 -8.2760 -5.9719 -5.9719 -5.9708 -5.9708 0.9039 0.9039 0.9110 0.9110 1.8998 1.8998 1.9061 1.9061 2.6574 2.6574 2.6735 2.6735 3.1663 3.1663 3.1716 3.1716 3.7229 3.7229 3.7523 3.7523 4.4675 4.4675 4.4877 4.4877 6.3945 6.3945 6.4050 6.4050 6.8409 6.8409 6.8415 6.8415 6.9703 6.9703 6.9715 6.9715 8.7366 8.7366 8.7441 8.7441 k = 0.5000 0.2452 0.2201 ( 10820 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8240 -35.8240 -35.8238 -35.8238 -8.2752 -8.2752 -8.2752 -8.2752 -5.9618 -5.9618 -5.9608 -5.9608 0.8638 0.8638 0.8703 0.8703 1.8992 1.8992 1.9054 1.9054 2.6771 2.6771 2.6968 2.6968 3.1595 3.1595 3.1697 3.1697 3.6807 3.6807 3.7069 3.7069 4.4577 4.4577 4.4769 4.4769 6.4232 6.4232 6.4326 6.4326 6.8445 6.8445 6.8454 6.8454 6.9737 6.9737 6.9752 6.9752 8.7679 8.7679 8.7742 8.7742 k = 0.5000 0.2563 0.2201 ( 10832 PWs) bands (ev): -64.7771 -64.7771 -64.7771 -64.7771 -36.8471 -36.8471 -36.8471 -36.8471 -35.9050 -35.9050 -35.9048 -35.9048 -35.8241 -35.8241 -35.8240 -35.8240 -8.2745 -8.2745 -8.2745 -8.2745 -5.9522 -5.9522 -5.9513 -5.9513 0.8258 0.8258 0.8318 0.8318 1.8988 1.8988 1.9049 1.9049 2.6982 2.6982 2.7215 2.7215 3.1525 3.1525 3.1679 3.1679 3.6380 3.6380 3.6608 3.6608 4.4478 4.4478 4.4656 4.4656 6.4509 6.4509 6.4594 6.4594 6.8472 6.8472 6.8483 6.8483 6.9765 6.9765 6.9782 6.9782 8.7920 8.7920 8.7976 8.7976 k = 0.5000 0.2674 0.2201 ( 10812 PWs) bands (ev): -64.7764 -64.7764 -64.7764 -64.7764 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9047 -35.9047 -35.8240 -35.8240 -35.8239 -35.8239 -8.2738 -8.2738 -8.2737 -8.2737 -5.9432 -5.9432 -5.9423 -5.9423 0.7907 0.7907 0.7961 0.7961 1.8989 1.8989 1.9047 1.9047 2.7209 2.7209 2.7476 2.7476 3.1464 3.1464 3.1674 3.1674 3.5958 3.5958 3.6147 3.6147 4.4383 4.4383 4.4547 4.4547 6.4787 6.4787 6.4862 6.4862 6.8525 6.8525 6.8537 6.8537 6.9819 6.9819 6.9837 6.9837 8.8137 8.8137 8.8185 8.8185 k = 0.5000 0.2786 0.2201 ( 10808 PWs) bands (ev): -64.7762 -64.7762 -64.7762 -64.7762 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9047 -35.9047 -35.8239 -35.8239 -35.8238 -35.8238 -8.2731 -8.2731 -8.2731 -8.2731 -5.9348 -5.9348 -5.9340 -5.9340 0.7583 0.7583 0.7632 0.7632 1.8992 1.8992 1.9046 1.9046 2.7444 2.7444 2.7743 2.7743 3.1408 3.1408 3.1676 3.1676 3.5541 3.5541 3.5687 3.5687 4.4294 4.4294 4.4441 4.4441 6.5033 6.5033 6.5100 6.5100 6.8550 6.8550 6.8564 6.8564 6.9866 6.9866 6.9883 6.9883 8.8314 8.8314 8.8356 8.8356 k = 0.5000 0.2897 0.2201 ( 10808 PWs) bands (ev): -64.7762 -64.7762 -64.7762 -64.7762 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9047 -35.9047 -35.8239 -35.8239 -35.8238 -35.8238 -8.2725 -8.2725 -8.2725 -8.2725 -5.9272 -5.9272 -5.9264 -5.9264 0.7291 0.7291 0.7333 0.7333 1.8996 1.8996 1.9046 1.9046 2.7686 2.7686 2.8012 2.8012 3.1361 3.1361 3.1688 3.1688 3.5132 3.5132 3.5231 3.5231 4.4212 4.4212 4.4342 4.4342 6.5254 6.5254 6.5311 6.5311 6.8580 6.8580 6.8594 6.8594 6.9901 6.9901 6.9918 6.9918 8.8453 8.8453 8.8490 8.8490 k = 0.5000 0.3009 0.2201 ( 10808 PWs) bands (ev): -64.7763 -64.7763 -64.7763 -64.7763 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9047 -35.9047 -35.8239 -35.8239 -35.8239 -35.8239 -8.2720 -8.2720 -8.2719 -8.2719 -5.9204 -5.9204 -5.9197 -5.9197 0.7033 0.7033 0.7070 0.7070 1.9002 1.9002 1.9047 1.9047 2.7928 2.7928 2.8276 2.8276 3.1328 3.1328 3.1710 3.1710 3.4736 3.4736 3.4784 3.4784 4.4140 4.4140 4.4252 4.4252 6.5453 6.5453 6.5501 6.5501 6.8606 6.8606 6.8619 6.8619 6.9940 6.9940 6.9956 6.9956 8.8570 8.8570 8.8602 8.8602 k = 0.5000 0.3120 0.2201 ( 10812 PWs) bands (ev): -64.7764 -64.7764 -64.7764 -64.7764 -36.8471 -36.8471 -36.8470 -36.8470 -35.9049 -35.9049 -35.9048 -35.9048 -35.8240 -35.8240 -35.8239 -35.8239 -8.2715 -8.2715 -8.2715 -8.2715 -5.9145 -5.9145 -5.9140 -5.9140 0.6812 0.6812 0.6843 0.6843 1.9009 1.9009 1.9047 1.9047 2.8167 2.8167 2.8523 2.8523 3.1312 3.1312 3.1740 3.1740 3.4355 3.4355 3.4359 3.4359 4.4078 4.4078 4.4172 4.4172 6.5622 6.5622 6.5662 6.5662 6.8629 6.8629 6.8641 6.8641 6.9971 6.9971 6.9985 6.9985 8.8651 8.8651 8.8678 8.8678 k = 0.5000 0.3232 0.2201 ( 10808 PWs) bands (ev): -64.7763 -64.7763 -64.7763 -64.7763 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8239 -35.8239 -8.2711 -8.2711 -8.2711 -8.2711 -5.9096 -5.9096 -5.9091 -5.9091 0.6630 0.6630 0.6654 0.6654 1.9016 1.9016 1.9047 1.9047 2.8395 2.8395 2.8740 2.8740 3.1328 3.1328 3.1782 3.1782 3.3954 3.3954 3.4009 3.4009 4.4028 4.4028 4.4104 4.4104 6.5766 6.5766 6.5798 6.5798 6.8655 6.8655 6.8665 6.8665 7.0006 7.0006 7.0017 7.0017 8.8729 8.8729 8.8751 8.8751 k = 0.5000 0.3343 0.2201 ( 10804 PWs) bands (ev): -64.7761 -64.7761 -64.7761 -64.7761 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2708 -8.2708 -8.2708 -8.2708 -5.9057 -5.9057 -5.9054 -5.9054 0.6487 0.6487 0.6505 0.6505 1.9023 1.9023 1.9047 1.9047 2.8606 2.8606 2.8912 2.8912 3.1384 3.1384 3.1826 3.1826 3.3597 3.3597 3.3695 3.3695 4.3991 4.3991 4.4048 4.4048 6.5882 6.5882 6.5905 6.5905 6.8660 6.8660 6.8669 6.8669 7.0035 7.0035 7.0044 7.0044 8.8790 8.8790 8.8807 8.8807 k = 0.5000 0.3454 0.2201 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8238 -35.8238 -35.8238 -35.8238 -8.2706 -8.2706 -8.2706 -8.2706 -5.9029 -5.9029 -5.9026 -5.9026 0.6385 0.6385 0.6398 0.6398 1.9029 1.9029 1.9045 1.9045 2.8789 2.8789 2.9021 2.9021 3.1480 3.1480 3.1853 3.1853 3.3311 3.3311 3.3425 3.3425 4.3967 4.3967 4.4005 4.4005 6.5976 6.5976 6.5992 6.5992 6.8673 6.8673 6.8679 6.8679 7.0052 7.0052 7.0059 7.0059 8.8829 8.8829 8.8841 8.8841 k = 0.5000 0.3566 0.2201 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8239 -35.8239 -8.2705 -8.2705 -8.2705 -8.2705 -5.9011 -5.9011 -5.9010 -5.9010 0.6326 0.6326 0.6332 0.6332 1.9034 1.9034 1.9042 1.9042 2.8933 2.8933 2.9060 2.9060 3.1608 3.1608 3.1830 3.1830 3.3137 3.3137 3.3220 3.3220 4.3955 4.3955 4.3974 4.3974 6.6025 6.6025 6.6032 6.6032 6.8693 6.8693 6.8696 6.8696 7.0074 7.0074 7.0077 7.0077 8.8848 8.8848 8.8853 8.8853 k = 0.5000 0.3677 0.2201 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8239 -35.8239 -8.2704 -8.2704 -8.2704 -8.2704 -5.9005 -5.9005 -5.9005 -5.9005 0.6308 0.6308 0.6308 0.6308 1.9039 1.9039 1.9039 1.9039 2.9027 2.9027 2.9027 2.9027 3.1742 3.1742 3.1742 3.1742 3.3110 3.3110 3.3110 3.3110 4.3959 4.3959 4.3959 4.3959 6.6037 6.6037 6.6037 6.6037 6.8692 6.8692 6.8692 6.8692 7.0087 7.0087 7.0087 7.0087 8.8849 8.8849 8.8849 8.8849 k = 0.5000 0.3677 0.2201 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8239 -35.8239 -8.2704 -8.2704 -8.2704 -8.2704 -5.9005 -5.9005 -5.9005 -5.9005 0.6308 0.6308 0.6308 0.6308 1.9039 1.9039 1.9039 1.9039 2.9027 2.9027 2.9027 2.9027 3.1742 3.1742 3.1742 3.1742 3.3110 3.3110 3.3110 3.3110 4.3959 4.3959 4.3959 4.3959 6.6037 6.6037 6.6037 6.6037 6.8692 6.8692 6.8692 6.8692 7.0087 7.0087 7.0087 7.0087 8.8849 8.8849 8.8849 8.8849 k = 0.4889 0.3677 0.2201 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8238 -35.8238 -8.2710 -8.2710 -8.2709 -8.2709 -5.9014 -5.9014 -5.9011 -5.9011 0.6324 0.6324 0.6334 0.6334 1.9020 1.9020 1.9080 1.9080 2.9009 2.9009 2.9013 2.9013 3.1598 3.1598 3.1734 3.1734 3.3166 3.3166 3.3242 3.3242 4.3950 4.3950 4.3952 4.3952 6.6030 6.6030 6.6060 6.6060 6.8684 6.8684 6.8690 6.8690 7.0066 7.0066 7.0097 7.0097 8.8838 8.8838 8.8866 8.8866 k = 0.4778 0.3677 0.2201 ( 10792 PWs) bands (ev): -64.7757 -64.7757 -64.7757 -64.7757 -36.8469 -36.8469 -36.8469 -36.8469 -35.9047 -35.9047 -35.9047 -35.9047 -35.8238 -35.8238 -35.8238 -35.8238 -8.2726 -8.2726 -8.2724 -8.2724 -5.9036 -5.9036 -5.9031 -5.9031 0.6386 0.6386 0.6406 0.6406 1.9022 1.9022 1.9144 1.9144 2.8957 2.8957 2.8960 2.8960 3.1363 3.1363 3.1599 3.1599 3.3379 3.3379 3.3491 3.3491 4.3926 4.3926 4.3931 4.3931 6.6012 6.6012 6.6070 6.6070 6.8709 6.8709 6.8720 6.8720 7.0090 7.0090 7.0152 7.0152 8.8790 8.8790 8.8847 8.8847 k = 0.4667 0.3677 0.2201 ( 10784 PWs) bands (ev): -64.7755 -64.7755 -64.7755 -64.7755 -36.8468 -36.8468 -36.8468 -36.8468 -35.9046 -35.9046 -35.9045 -35.9045 -35.8238 -35.8238 -35.8238 -35.8238 -8.2752 -8.2752 -8.2748 -8.2748 -5.9073 -5.9073 -5.9066 -5.9066 0.6492 0.6492 0.6522 0.6522 1.9046 1.9046 1.9228 1.9228 2.8865 2.8865 2.8874 2.8874 3.1097 3.1097 3.1415 3.1415 3.3680 3.3680 3.3800 3.3800 4.3886 4.3886 4.3895 4.3895 6.5999 6.5999 6.6083 6.6083 6.8726 6.8726 6.8745 6.8745 7.0140 7.0140 7.0231 7.0231 8.8727 8.8727 8.8811 8.8811 k = 0.4556 0.3677 0.2201 ( 10792 PWs) bands (ev): -64.7757 -64.7757 -64.7757 -64.7757 -36.8468 -36.8468 -36.8468 -36.8468 -35.9046 -35.9046 -35.9044 -35.9044 -35.8239 -35.8239 -35.8238 -35.8238 -8.2787 -8.2787 -8.2783 -8.2783 -5.9124 -5.9124 -5.9114 -5.9114 0.6639 0.6639 0.6679 0.6679 1.9091 1.9091 1.9332 1.9332 2.8720 2.8720 2.8754 2.8754 3.0831 3.0831 3.1232 3.1232 3.4023 3.4023 3.4137 3.4137 4.3832 4.3832 4.3845 4.3845 6.5970 6.5970 6.6075 6.6075 6.8735 6.8735 6.8763 6.8763 7.0199 7.0199 7.0316 7.0316 8.8634 8.8634 8.8744 8.8744 k = 0.4444 0.3677 0.2201 ( 10808 PWs) bands (ev): -64.7763 -64.7763 -64.7763 -64.7763 -36.8469 -36.8469 -36.8468 -36.8468 -35.9046 -35.9046 -35.9044 -35.9044 -35.8240 -35.8240 -35.8239 -35.8239 -8.2833 -8.2833 -8.2828 -8.2828 -5.9188 -5.9188 -5.9176 -5.9176 0.6828 0.6828 0.6878 0.6878 1.9158 1.9158 1.9457 1.9457 2.8526 2.8526 2.8596 2.8596 3.0582 3.0582 3.1072 3.1072 3.4383 3.4383 3.4485 3.4485 4.3763 4.3763 4.3782 4.3782 6.5955 6.5955 6.6079 6.6079 6.8746 6.8746 6.8783 6.8783 7.0271 7.0271 7.0411 7.0411 8.8494 8.8494 8.8628 8.8628 k = 0.4333 0.3677 0.2201 ( 10824 PWs) bands (ev): -64.7769 -64.7769 -64.7769 -64.7769 -36.8469 -36.8469 -36.8468 -36.8468 -35.9045 -35.9045 -35.9043 -35.9043 -35.8241 -35.8241 -35.8240 -35.8240 -8.2888 -8.2888 -8.2882 -8.2882 -5.9265 -5.9265 -5.9251 -5.9251 0.7057 0.7057 0.7117 0.7117 1.9246 1.9246 1.9601 1.9601 2.8283 2.8283 2.8399 2.8399 3.0360 3.0360 3.0942 3.0942 3.4756 3.4756 3.4842 3.4842 4.3682 4.3682 4.3708 4.3708 6.5937 6.5937 6.6072 6.6072 6.8765 6.8765 6.8813 6.8813 7.0372 7.0372 7.0529 7.0529 8.8344 8.8344 8.8502 8.8502 k = 0.4222 0.3677 0.2201 ( 10836 PWs) bands (ev): -64.7773 -64.7773 -64.7773 -64.7773 -36.8468 -36.8468 -36.8468 -36.8468 -35.9044 -35.9044 -35.9042 -35.9042 -35.8243 -35.8243 -35.8241 -35.8241 -8.2952 -8.2952 -8.2945 -8.2945 -5.9355 -5.9355 -5.9339 -5.9339 0.7325 0.7325 0.7395 0.7395 1.9355 1.9355 1.9764 1.9764 2.8000 2.8000 2.8165 2.8165 3.0173 3.0173 3.0848 3.0848 3.5136 3.5136 3.5203 3.5203 4.3589 4.3589 4.3625 4.3625 6.5927 6.5927 6.6069 6.6069 6.8786 6.8786 6.8845 6.8845 7.0488 7.0488 7.0658 7.0658 8.8174 8.8174 8.8354 8.8354 k = 0.4111 0.3677 0.2201 ( 10844 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8468 -36.8468 -36.8467 -36.8467 -35.9043 -35.9043 -35.9040 -35.9040 -35.8244 -35.8244 -35.8242 -35.8242 -8.3025 -8.3025 -8.3017 -8.3017 -5.9456 -5.9456 -5.9438 -5.9438 0.7629 0.7629 0.7708 0.7708 1.9484 1.9484 1.9944 1.9944 2.7685 2.7685 2.7902 2.7902 3.0016 3.0016 3.0782 3.0782 3.5524 3.5524 3.5568 3.5568 4.3489 4.3489 4.3537 4.3537 6.5924 6.5924 6.6069 6.6069 6.8809 6.8809 6.8878 6.8878 7.0611 7.0611 7.0791 7.0791 8.8007 8.8007 8.8206 8.8206 k = 0.4000 0.3677 0.2201 ( 10856 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8467 -36.8467 -36.8467 -36.8467 -35.9041 -35.9041 -35.9039 -35.9039 -35.8245 -35.8245 -35.8242 -35.8242 -8.3107 -8.3107 -8.3098 -8.3098 -5.9568 -5.9568 -5.9548 -5.9548 0.7965 0.7965 0.8054 0.8054 1.9632 1.9632 2.0138 2.0138 2.7349 2.7349 2.7620 2.7620 2.9886 2.9886 3.0739 3.0739 3.5912 3.5912 3.5930 3.5930 4.3383 4.3383 4.3445 4.3445 6.5925 6.5925 6.6070 6.6070 6.8826 6.8826 6.8906 6.8906 7.0734 7.0734 7.0920 7.0920 8.7829 8.7829 8.8046 8.8046 k = 0.3889 0.3677 0.2201 ( 10848 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8465 -36.8465 -36.8465 -36.8465 -35.9038 -35.9038 -35.9035 -35.9035 -35.8245 -35.8245 -35.8243 -35.8243 -8.3196 -8.3196 -8.3186 -8.3186 -5.9690 -5.9690 -5.9668 -5.9668 0.8333 0.8333 0.8432 0.8432 1.9800 1.9800 2.0347 2.0347 2.7001 2.7001 2.7330 2.7330 2.9777 2.9777 3.0714 3.0714 3.6287 3.6287 3.6298 3.6298 4.3276 4.3276 4.3354 4.3354 6.5945 6.5945 6.6085 6.6085 6.8866 6.8866 6.8958 6.8958 7.0883 7.0883 7.1069 7.1069 8.7655 8.7655 8.7889 8.7889 k = 0.3778 0.3677 0.2201 ( 10856 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8464 -36.8464 -36.8464 -36.8464 -35.9036 -35.9036 -35.9033 -35.9033 -35.8246 -35.8246 -35.8243 -35.8243 -8.3293 -8.3293 -8.3282 -8.3282 -5.9821 -5.9821 -5.9797 -5.9797 0.8727 0.8727 0.8834 0.8834 1.9984 1.9984 2.0563 2.0563 2.6647 2.6647 2.7041 2.7041 2.9681 2.9681 3.0701 3.0701 3.6631 3.6631 3.6674 3.6674 4.3172 4.3172 4.3268 4.3268 6.5963 6.5963 6.6096 6.6096 6.8906 6.8906 6.9010 6.9010 7.1013 7.1013 7.1198 7.1198 8.7447 8.7447 8.7696 8.7696 k = 0.3667 0.3677 0.2201 ( 10856 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8462 -36.8462 -36.8462 -36.8462 -35.9033 -35.9033 -35.9030 -35.9030 -35.8247 -35.8247 -35.8244 -35.8244 -8.3396 -8.3396 -8.3385 -8.3385 -5.9961 -5.9961 -5.9935 -5.9935 0.9144 0.9144 0.9260 0.9260 2.0184 2.0184 2.0785 2.0785 2.6295 2.6295 2.6764 2.6764 2.9600 2.9600 3.0703 3.0703 3.6963 3.6963 3.7039 3.7039 4.3080 4.3080 4.3195 4.3195 6.5991 6.5991 6.6115 6.6115 6.8947 6.8947 6.9062 6.9062 7.1140 7.1140 7.1320 7.1320 8.7252 8.7252 8.7514 8.7514 k = 0.3556 0.3677 0.2201 ( 10852 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8461 -36.8461 -36.8460 -36.8460 -35.9030 -35.9030 -35.9026 -35.9026 -35.8247 -35.8247 -35.8244 -35.8244 -8.3506 -8.3506 -8.3494 -8.3494 -6.0107 -6.0107 -6.0081 -6.0081 0.9579 0.9579 0.9703 0.9703 2.0398 2.0398 2.1006 2.1006 2.5953 2.5953 2.6510 2.6510 2.9530 2.9530 3.0717 3.0717 3.7275 3.7275 3.7386 3.7386 4.3007 4.3007 4.3142 4.3142 6.6016 6.6016 6.6131 6.6131 6.9002 6.9002 6.9128 6.9128 7.1257 7.1257 7.1430 7.1430 8.7063 8.7063 8.7337 8.7337 k = 0.3444 0.3677 0.2201 ( 10832 PWs) bands (ev): -64.7773 -64.7773 -64.7773 -64.7773 -36.8458 -36.8458 -36.8457 -36.8457 -35.9025 -35.9025 -35.9021 -35.9021 -35.8247 -35.8247 -35.8244 -35.8244 -8.3622 -8.3622 -8.3609 -8.3609 -6.0260 -6.0260 -6.0233 -6.0233 1.0030 1.0030 1.0161 1.0161 2.0621 2.0621 2.1219 2.1219 2.5627 2.5627 2.6292 2.6292 2.9473 2.9473 3.0744 3.0744 3.7560 3.7560 3.7703 3.7703 4.2965 4.2965 4.3119 4.3119 6.6046 6.6046 6.6149 6.6149 6.9070 6.9070 6.9206 6.9206 7.1391 7.1391 7.1555 7.1555 8.6879 8.6879 8.7163 8.7163 k = 0.3333 0.3677 0.2201 ( 10840 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8456 -36.8456 -36.8456 -36.8456 -35.9022 -35.9022 -35.9018 -35.9018 -35.8248 -35.8248 -35.8244 -35.8244 -8.3742 -8.3742 -8.3730 -8.3730 -6.0419 -6.0419 -6.0390 -6.0390 1.0488 1.0488 1.0625 1.0625 2.0846 2.0846 2.1410 2.1410 2.5325 2.5325 2.6120 2.6120 2.9426 2.9426 3.0783 3.0783 3.7804 3.7804 3.7975 3.7975 4.2962 4.2962 4.3130 4.3130 6.6057 6.6057 6.6148 6.6148 6.9127 6.9127 6.9274 6.9274 7.1482 7.1482 7.1634 7.1634 8.6678 8.6678 8.6971 8.6971 k = 0.3222 0.3677 0.2201 ( 10844 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8455 -36.8455 -36.8454 -36.8454 -35.9019 -35.9019 -35.9015 -35.9015 -35.8249 -35.8249 -35.8245 -35.8245 -8.3868 -8.3868 -8.3854 -8.3854 -6.0582 -6.0582 -6.0553 -6.0553 1.0949 1.0949 1.1090 1.1090 2.1069 2.1069 2.1573 2.1573 2.5055 2.5055 2.6005 2.6005 2.9396 2.9396 3.0838 3.0838 3.8005 3.8005 3.8197 3.8197 4.3012 4.3012 4.3187 4.3187 6.6067 6.6067 6.6147 6.6147 6.9193 6.9193 6.9349 6.9349 7.1565 7.1565 7.1704 7.1704 8.6480 8.6480 8.6779 8.6779 k = 0.3111 0.3677 0.2201 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8453 -36.8453 -36.8453 -36.8453 -35.9015 -35.9015 -35.9011 -35.9011 -35.8250 -35.8250 -35.8246 -35.8246 -8.3997 -8.3997 -8.3983 -8.3983 -6.0749 -6.0749 -6.0719 -6.0719 1.1406 1.1406 1.1551 1.1551 2.1281 2.1281 2.1697 2.1697 2.4828 2.4828 2.5956 2.5956 2.9385 2.9385 3.0912 3.0912 3.8153 3.8153 3.8355 3.8355 4.3126 4.3126 4.3298 4.3298 6.6066 6.6066 6.6136 6.6136 6.9268 6.9268 6.9433 6.9433 7.1632 7.1632 7.1757 7.1757 8.6285 8.6285 8.6590 8.6590 k = 0.3000 0.3677 0.2201 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8451 -36.8451 -36.8450 -36.8450 -35.9011 -35.9011 -35.9007 -35.9007 -35.8251 -35.8251 -35.8247 -35.8247 -8.4129 -8.4129 -8.4115 -8.4115 -6.0919 -6.0919 -6.0888 -6.0888 1.1853 1.1853 1.2000 1.2000 2.1472 2.1472 2.1782 2.1782 2.4657 2.4657 2.5974 2.5974 2.9403 2.9403 3.1010 3.1010 3.8247 3.8247 3.8445 3.8445 4.3313 4.3313 4.3470 4.3470 6.6058 6.6058 6.6119 6.6119 6.9340 6.9340 6.9513 6.9513 7.1690 7.1690 7.1801 7.1801 8.6124 8.6124 8.6434 8.6434 k = 0.2889 0.3677 0.2201 ( 10860 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8449 -36.8449 -36.8449 -36.8449 -35.9008 -35.9008 -35.9003 -35.9003 -35.8252 -35.8252 -35.8248 -35.8248 -8.4263 -8.4263 -8.4249 -8.4249 -6.1090 -6.1090 -6.1058 -6.1058 1.2283 1.2283 1.2429 1.2429 2.1632 2.1632 2.1829 2.1829 2.4552 2.4552 2.6050 2.6050 2.9458 2.9458 3.1136 3.1136 3.8286 3.8286 3.8469 3.8469 4.3566 4.3566 4.3698 4.3698 6.6028 6.6028 6.6082 6.6082 6.9414 6.9414 6.9594 6.9594 7.1727 7.1727 7.1824 7.1824 8.5972 8.5972 8.6283 8.6283 k = 0.2778 0.3677 0.2201 ( 10856 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8447 -36.8447 -36.8446 -36.8446 -35.9004 -35.9004 -35.8999 -35.8999 -35.8253 -35.8253 -35.8248 -35.8248 -8.4400 -8.4400 -8.4385 -8.4385 -6.1261 -6.1261 -6.1229 -6.1229 1.2688 1.2688 1.2831 1.2831 2.1755 2.1755 2.1849 2.1849 2.4518 2.4518 2.6166 2.6166 2.9567 2.9567 3.1300 3.1300 3.8280 3.8280 3.8436 3.8436 4.3881 4.3881 4.3980 4.3980 6.5994 6.5994 6.6042 6.6042 6.9486 6.9486 6.9673 6.9673 7.1762 7.1762 7.1844 7.1844 8.5841 8.5841 8.6154 8.6154 k = 0.2667 0.3677 0.2201 ( 10852 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8444 -36.8444 -36.8444 -36.8444 -35.8999 -35.8999 -35.8995 -35.8995 -35.8253 -35.8253 -35.8249 -35.8249 -8.4537 -8.4537 -8.4523 -8.4523 -6.1433 -6.1433 -6.1401 -6.1401 1.3060 1.3060 1.3199 1.3199 2.1845 2.1845 2.1859 2.1859 2.4552 2.4552 2.6298 2.6298 2.9739 2.9739 3.1501 3.1501 3.8232 3.8232 3.8353 3.8353 4.4249 4.4249 4.4311 4.4311 6.5943 6.5943 6.5987 6.5987 6.9557 6.9557 6.9752 6.9752 7.1786 7.1786 7.1857 7.1857 8.5742 8.5742 8.6054 8.6054 k = 0.2556 0.3677 0.2201 ( 10844 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8442 -36.8442 -36.8441 -36.8441 -35.8994 -35.8994 -35.8990 -35.8990 -35.8254 -35.8254 -35.8249 -35.8249 -8.4675 -8.4675 -8.4661 -8.4661 -6.1603 -6.1603 -6.1572 -6.1572 1.3393 1.3393 1.3527 1.3527 2.1875 2.1875 2.1913 2.1913 2.4643 2.4643 2.6424 2.6424 2.9986 2.9986 3.1746 3.1746 3.8153 3.8153 3.8234 3.8234 4.4658 4.4658 4.4680 4.4680 6.5878 6.5878 6.5920 6.5920 6.9614 6.9614 6.9817 6.9817 7.1811 7.1811 7.1871 7.1871 8.5673 8.5673 8.5983 8.5983 k = 0.2444 0.3677 0.2201 ( 10852 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8440 -36.8440 -36.8440 -36.8440 -35.8991 -35.8991 -35.8986 -35.8986 -35.8254 -35.8254 -35.8250 -35.8250 -8.4812 -8.4812 -8.4798 -8.4798 -6.1772 -6.1772 -6.1741 -6.1741 1.3677 1.3677 1.3804 1.3804 2.1908 2.1908 2.1975 2.1975 2.4769 2.4769 2.6521 2.6521 3.0312 3.0312 3.2039 3.2039 3.8051 3.8051 3.8087 3.8087 4.5074 4.5074 4.5093 4.5093 6.5791 6.5791 6.5832 6.5832 6.9656 6.9656 6.9869 6.9869 7.1815 7.1815 7.1867 7.1867 8.5614 8.5614 8.5922 8.5922 k = 0.2333 0.3677 0.2201 ( 10856 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8438 -36.8438 -36.8438 -36.8438 -35.8987 -35.8987 -35.8982 -35.8982 -35.8255 -35.8255 -35.8251 -35.8251 -8.4949 -8.4949 -8.4935 -8.4935 -6.1939 -6.1939 -6.1908 -6.1908 1.3910 1.3910 1.4029 1.4029 2.1972 2.1972 2.2048 2.2048 2.4914 2.4914 2.6587 2.6587 3.0712 3.0712 3.2380 3.2380 3.7926 3.7926 3.7939 3.7939 4.5492 4.5492 4.5549 4.5549 6.5701 6.5701 6.5742 6.5742 6.9680 6.9680 6.9905 6.9905 7.1817 7.1817 7.1865 7.1865 8.5583 8.5583 8.5887 8.5887 k = 0.2222 0.3677 0.2201 ( 10860 PWs) bands (ev): -64.7785 -64.7785 -64.7785 -64.7785 -36.8436 -36.8436 -36.8436 -36.8436 -35.8983 -35.8983 -35.8978 -35.8978 -35.8256 -35.8256 -35.8252 -35.8252 -8.5084 -8.5084 -8.5070 -8.5070 -6.2102 -6.2102 -6.2071 -6.2071 1.4089 1.4089 1.4200 1.4200 2.2074 2.2074 2.2147 2.2147 2.5061 2.5061 2.6617 2.6617 3.1173 3.1173 3.2767 3.2767 3.7760 3.7760 3.7828 3.7828 4.5926 4.5926 4.6019 4.6019 6.5586 6.5586 6.5629 6.5629 6.9684 6.9684 6.9923 6.9923 7.1812 7.1812 7.1861 7.1861 8.5598 8.5598 8.5897 8.5897 k = 0.2111 0.3677 0.2201 ( 10872 PWs) bands (ev): -64.7790 -64.7790 -64.7790 -64.7790 -36.8435 -36.8435 -36.8434 -36.8434 -35.8980 -35.8980 -35.8975 -35.8975 -35.8257 -35.8257 -35.8253 -35.8253 -8.5217 -8.5217 -8.5203 -8.5203 -6.2261 -6.2261 -6.2231 -6.2231 1.4213 1.4213 1.4315 1.4315 2.2218 2.2218 2.2277 2.2277 2.5200 2.5200 2.6619 2.6619 3.1676 3.1676 3.3191 3.3191 3.7605 3.7605 3.7731 3.7731 4.6367 4.6367 4.6493 4.6493 6.5453 6.5453 6.5498 6.5498 6.9663 6.9663 6.9918 6.9918 7.1803 7.1803 7.1856 7.1856 8.5636 8.5636 8.5929 8.5929 k = 0.2000 0.3677 0.2201 ( 10860 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8432 -36.8432 -36.8432 -36.8432 -35.8975 -35.8975 -35.8970 -35.8970 -35.8257 -35.8257 -35.8253 -35.8253 -8.5347 -8.5347 -8.5334 -8.5334 -6.2416 -6.2416 -6.2387 -6.2387 1.4288 1.4288 1.4382 1.4382 2.2404 2.2404 2.2442 2.2442 2.5328 2.5328 2.6601 2.6601 3.2194 3.2194 3.3635 3.3635 3.7482 3.7482 3.7671 3.7671 4.6816 4.6816 4.6972 4.6972 6.5320 6.5320 6.5368 6.5368 6.9626 6.9626 6.9901 6.9901 7.1806 7.1806 7.1867 7.1867 8.5731 8.5731 8.6017 8.6017 k = 0.1889 0.3677 0.2201 ( 10860 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8430 -36.8430 -36.8430 -36.8430 -35.8971 -35.8971 -35.8966 -35.8966 -35.8258 -35.8258 -35.8254 -35.8254 -8.5473 -8.5473 -8.5461 -8.5461 -6.2566 -6.2566 -6.2537 -6.2537 1.4316 1.4316 1.4403 1.4403 2.2627 2.2627 2.2639 2.2639 2.5440 2.5440 2.6566 2.6566 3.2693 3.2693 3.4061 3.4061 3.7418 3.7418 3.7664 3.7664 4.7264 4.7264 4.7446 4.7446 6.5167 6.5167 6.5219 6.5219 6.9563 6.9563 6.9859 6.9859 7.1798 7.1798 7.1870 7.1870 8.5856 8.5856 8.6134 8.6134 k = 0.1778 0.3677 0.2201 ( 10848 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8427 -36.8427 -36.8427 -36.8427 -35.8966 -35.8966 -35.8962 -35.8962 -35.8258 -35.8258 -35.8254 -35.8254 -8.5596 -8.5596 -8.5583 -8.5583 -6.2709 -6.2709 -6.2682 -6.2682 1.4306 1.4306 1.4386 1.4386 2.2864 2.2864 2.2884 2.2884 2.5535 2.5535 2.6519 2.6519 3.3138 3.3138 3.4423 3.4423 3.7462 3.7462 3.7744 3.7744 4.7706 4.7706 4.7911 4.7911 6.5004 6.5004 6.5059 6.5059 6.9498 6.9498 6.9815 6.9815 7.1805 7.1805 7.1891 7.1891 8.6024 8.6024 8.6293 8.6293 k = 0.1667 0.3677 0.2201 ( 10848 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8425 -36.8425 -36.8425 -36.8425 -35.8962 -35.8962 -35.8958 -35.8958 -35.8259 -35.8259 -35.8255 -35.8255 -8.5714 -8.5714 -8.5702 -8.5702 -6.2847 -6.2847 -6.2821 -6.2821 1.4264 1.4264 1.4337 1.4337 2.3111 2.3111 2.3166 2.3166 2.5621 2.5621 2.6466 2.6466 3.3490 3.3490 3.4660 3.4660 3.7662 3.7662 3.7938 3.7938 4.8139 4.8139 4.8363 4.8363 6.4824 6.4824 6.4881 6.4881 6.9404 6.9404 6.9742 6.9742 7.1789 7.1789 7.1891 7.1891 8.6223 8.6223 8.6481 8.6481 k = 0.1556 0.3677 0.2201 ( 10848 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8423 -36.8423 -36.8423 -36.8423 -35.8958 -35.8958 -35.8954 -35.8954 -35.8259 -35.8259 -35.8256 -35.8256 -8.5827 -8.5827 -8.5815 -8.5815 -6.2978 -6.2978 -6.2953 -6.2953 1.4198 1.4198 1.4264 1.4264 2.3371 2.3371 2.3466 2.3466 2.5696 2.5696 2.6411 2.6411 3.3720 3.3720 3.4747 3.4747 3.8039 3.8039 3.8266 3.8266 4.8560 4.8560 4.8797 4.8797 6.4627 6.4627 6.4687 6.4687 6.9311 6.9311 6.9669 6.9669 7.1765 7.1765 7.1883 7.1883 8.6451 8.6451 8.6698 8.6698 k = 0.1444 0.3677 0.2201 ( 10836 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8421 -36.8421 -36.8421 -36.8421 -35.8954 -35.8954 -35.8950 -35.8950 -35.8259 -35.8259 -35.8256 -35.8256 -8.5934 -8.5934 -8.5923 -8.5923 -6.3101 -6.3101 -6.3078 -6.3078 1.4115 1.4115 1.4175 1.4175 2.3640 2.3640 2.3778 2.3778 2.5770 2.5770 2.6360 2.6360 3.3833 3.3833 3.4709 3.4709 3.8566 3.8566 3.8727 3.8727 4.8966 4.8966 4.9213 4.9213 6.4419 6.4419 6.4480 6.4480 6.9221 6.9221 6.9597 6.9597 7.1739 7.1739 7.1873 7.1873 8.6730 8.6730 8.6964 8.6964 k = 0.1333 0.3677 0.2201 ( 10836 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8419 -36.8419 -36.8419 -36.8419 -35.8951 -35.8951 -35.8947 -35.8947 -35.8260 -35.8260 -35.8256 -35.8256 -8.6035 -8.6035 -8.6025 -8.6025 -6.3217 -6.3217 -6.3195 -6.3195 1.4020 1.4020 1.4074 1.4074 2.3904 2.3904 2.4091 2.4091 2.5845 2.5845 2.6314 2.6314 3.3842 3.3842 3.4583 3.4583 3.9188 3.9188 3.9289 3.9289 4.9353 4.9353 4.9606 4.9606 6.4195 6.4195 6.4256 6.4256 6.9122 6.9122 6.9513 6.9513 7.1693 7.1693 7.1843 7.1843 8.7026 8.7026 8.7245 8.7245 k = 0.1222 0.3677 0.2201 ( 10840 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8418 -36.8418 -36.8418 -36.8418 -35.8948 -35.8948 -35.8944 -35.8944 -35.8260 -35.8260 -35.8257 -35.8257 -8.6130 -8.6130 -8.6120 -8.6120 -6.3325 -6.3325 -6.3305 -6.3305 1.3918 1.3918 1.3967 1.3967 2.4156 2.4156 2.4395 2.4395 2.5929 2.5929 2.6280 2.6280 3.3774 3.3774 3.4405 3.4405 3.9864 3.9864 3.9919 3.9919 4.9720 4.9720 4.9973 4.9973 6.3959 6.3959 6.4020 6.4020 6.9023 6.9023 6.9423 6.9423 7.1642 7.1642 7.1805 7.1805 8.7338 8.7338 8.7542 8.7542 k = 0.1111 0.3677 0.2201 ( 10844 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8417 -36.8417 -36.8417 -36.8417 -35.8945 -35.8945 -35.8942 -35.8942 -35.8261 -35.8261 -35.8258 -35.8258 -8.6218 -8.6218 -8.6209 -8.6209 -6.3425 -6.3425 -6.3406 -6.3406 1.3815 1.3815 1.3858 1.3858 2.4385 2.4385 2.4678 2.4678 2.6032 2.6032 2.6269 2.6269 3.3655 3.3655 3.4195 3.4195 4.0564 4.0564 4.0588 4.0588 5.0064 5.0064 5.0313 5.0313 6.3712 6.3712 6.3771 6.3771 6.8939 6.8939 6.9343 6.9343 7.1581 7.1581 7.1756 7.1756 8.7667 8.7667 8.7853 8.7853 k = 0.1000 0.3677 0.2201 ( 10856 PWs) bands (ev): -64.7786 -64.7786 -64.7786 -64.7786 -36.8416 -36.8416 -36.8416 -36.8416 -35.8943 -35.8943 -35.8940 -35.8940 -35.8262 -35.8262 -35.8259 -35.8259 -8.6298 -8.6298 -8.6290 -8.6290 -6.3516 -6.3516 -6.3499 -6.3499 1.3713 1.3713 1.3751 1.3751 2.4582 2.4582 2.4922 2.4922 2.6156 2.6156 2.6292 2.6292 3.3499 3.3499 3.3965 3.3965 4.1267 4.1267 4.1271 4.1271 5.0383 5.0383 5.0623 5.0623 6.3455 6.3455 6.3512 6.3512 6.8865 6.8865 6.9268 6.9268 7.1510 7.1510 7.1693 7.1693 8.7991 8.7991 8.8158 8.8158 k = 0.0889 0.3677 0.2201 ( 10864 PWs) bands (ev): -64.7789 -64.7789 -64.7789 -64.7789 -36.8415 -36.8415 -36.8415 -36.8415 -35.8941 -35.8941 -35.8938 -35.8938 -35.8263 -35.8263 -35.8260 -35.8260 -8.6371 -8.6371 -8.6364 -8.6364 -6.3598 -6.3598 -6.3583 -6.3583 1.3615 1.3615 1.3649 1.3649 2.4743 2.4743 2.5111 2.5111 2.6308 2.6308 2.6364 2.6364 3.3327 3.3327 3.3731 3.3731 4.1941 4.1941 4.1950 4.1950 5.0677 5.0677 5.0903 5.0903 6.3200 6.3200 6.3254 6.3254 6.8795 6.8795 6.9189 6.9189 7.1444 7.1444 7.1630 7.1630 8.8335 8.8335 8.8481 8.8481 k = 0.0778 0.3677 0.2201 ( 10852 PWs) bands (ev): -64.7784 -64.7784 -64.7784 -64.7784 -36.8414 -36.8414 -36.8413 -36.8413 -35.8938 -35.8938 -35.8935 -35.8935 -35.8262 -35.8262 -35.8260 -35.8260 -8.6436 -8.6436 -8.6430 -8.6430 -6.3671 -6.3671 -6.3657 -6.3657 1.3525 1.3525 1.3554 1.3554 2.4870 2.4870 2.5236 2.5236 2.6489 2.6489 2.6496 2.6496 3.3151 3.3151 3.3500 3.3500 4.2586 4.2586 4.2604 4.2604 5.0945 5.0945 5.1153 5.1153 6.2949 6.2949 6.2999 6.2999 6.8757 6.8757 6.9132 6.9132 7.1387 7.1387 7.1571 7.1571 8.8685 8.8685 8.8810 8.8810 k = 0.0667 0.3677 0.2201 ( 10848 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8412 -36.8412 -36.8412 -36.8412 -35.8935 -35.8935 -35.8933 -35.8933 -35.8262 -35.8262 -35.8260 -35.8260 -8.6493 -8.6493 -8.6488 -8.6488 -6.3734 -6.3734 -6.3722 -6.3722 1.3443 1.3443 1.3468 1.3468 2.4965 2.4965 2.5300 2.5300 2.6669 2.6669 2.6680 2.6680 3.2974 3.2974 3.3274 3.3274 4.3188 4.3188 4.3209 4.3209 5.1184 5.1184 5.1369 5.1369 6.2708 6.2708 6.2752 6.2752 6.8728 6.8728 6.9075 6.9075 7.1331 7.1331 7.1508 7.1508 8.9012 8.9012 8.9115 8.9115 k = 0.0556 0.3677 0.2201 ( 10840 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8411 -36.8411 -36.8411 -36.8411 -35.8933 -35.8933 -35.8931 -35.8931 -35.8262 -35.8262 -35.8260 -35.8260 -8.6541 -8.6541 -8.6537 -8.6537 -6.3788 -6.3788 -6.3778 -6.3778 1.3373 1.3373 1.3393 1.3393 2.5037 2.5037 2.5324 2.5324 2.6862 2.6862 2.6874 2.6874 3.2809 3.2809 3.3060 3.3060 4.3729 4.3729 4.3752 4.3752 5.1393 5.1393 5.1552 5.1552 6.2487 6.2487 6.2526 6.2526 6.8708 6.8708 6.9018 6.9018 7.1279 7.1279 7.1442 7.1442 8.9321 8.9321 8.9403 8.9403 k = 0.0444 0.3677 0.2201 ( 10848 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8411 -36.8411 -36.8411 -36.8411 -35.8933 -35.8933 -35.8931 -35.8931 -35.8262 -35.8262 -35.8261 -35.8261 -8.6581 -8.6581 -8.6578 -8.6578 -6.3832 -6.3832 -6.3824 -6.3824 1.3314 1.3314 1.3330 1.3330 2.5090 2.5090 2.5322 2.5322 2.7047 2.7047 2.7054 2.7054 3.2658 3.2658 3.2862 3.2862 4.4197 4.4197 4.4218 4.4218 5.1569 5.1569 5.1699 5.1699 6.2277 6.2277 6.2309 6.2309 6.8695 6.8695 6.8959 6.8959 7.1237 7.1237 7.1379 7.1379 8.9585 8.9585 8.9646 8.9646 k = 0.0333 0.3677 0.2201 ( 10868 PWs) bands (ev): -64.7790 -64.7790 -64.7790 -64.7790 -36.8411 -36.8411 -36.8411 -36.8411 -35.8933 -35.8933 -35.8932 -35.8932 -35.8263 -35.8263 -35.8262 -35.8262 -8.6612 -8.6612 -8.6610 -8.6610 -6.3866 -6.3866 -6.3860 -6.3860 1.3266 1.3266 1.3278 1.3278 2.5131 2.5131 2.5305 2.5305 2.7210 2.7210 2.7211 2.7211 3.2531 3.2531 3.2687 3.2687 4.4576 4.4576 4.4594 4.4594 5.1711 5.1711 5.1811 5.1811 6.2096 6.2096 6.2121 6.2121 6.8689 6.8689 6.8897 6.8897 7.1190 7.1190 7.1304 7.1304 8.9799 8.9799 8.9841 8.9841 k = 0.0222 0.3677 0.2201 ( 10876 PWs) bands (ev): -64.7793 -64.7793 -64.7793 -64.7793 -36.8411 -36.8411 -36.8411 -36.8411 -35.8932 -35.8932 -35.8932 -35.8932 -35.8264 -35.8264 -35.8263 -35.8263 -8.6634 -8.6634 -8.6633 -8.6633 -6.3890 -6.3890 -6.3886 -6.3886 1.3233 1.3233 1.3241 1.3241 2.5167 2.5167 2.5282 2.5282 2.7334 2.7334 2.7336 2.7336 3.2442 3.2442 3.2548 3.2548 4.4858 4.4858 4.4871 4.4871 5.1821 5.1821 5.1888 5.1888 6.1965 6.1965 6.1982 6.1982 6.8700 6.8700 6.8842 6.8842 7.1172 7.1172 7.1250 7.1250 8.9965 8.9965 8.9991 8.9991 k = 0.0111 0.3677 0.2201 ( 10872 PWs) bands (ev): -64.7792 -64.7792 -64.7792 -64.7792 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8264 -35.8264 -35.8263 -35.8263 -8.6648 -8.6648 -8.6647 -8.6647 -6.3905 -6.3905 -6.3903 -6.3903 1.3213 1.3213 1.3217 1.3217 2.5200 2.5200 2.5258 2.5258 2.7415 2.7415 2.7416 2.7416 3.2398 3.2398 3.2451 3.2451 4.5033 4.5033 4.5040 4.5040 5.1894 5.1894 5.1928 5.1928 6.1891 6.1891 6.1900 6.1900 6.8735 6.8735 6.8808 6.8808 7.1164 7.1164 7.1205 7.1205 9.0073 9.0073 9.0086 9.0086 k = 0.0000 0.3677 0.2201 ( 10872 PWs) bands (ev): -64.7791 -64.7791 -64.7791 -64.7791 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8263 -35.8263 -35.8263 -35.8263 -8.6652 -8.6652 -8.6652 -8.6652 -6.3909 -6.3909 -6.3909 -6.3909 1.3207 1.3207 1.3207 1.3207 2.5230 2.5230 2.5230 2.5230 2.7444 2.7444 2.7444 2.7444 3.2397 3.2397 3.2397 3.2397 4.5096 4.5096 4.5096 4.5096 5.1930 5.1930 5.1930 5.1930 6.1866 6.1866 6.1866 6.1866 6.8780 6.8780 6.8780 6.8780 7.1174 7.1174 7.1174 7.1174 9.0106 9.0106 9.0106 9.0106 k = 0.0000 0.3677 0.2201 ( 10872 PWs) bands (ev): -64.7791 -64.7791 -64.7791 -64.7791 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8263 -35.8263 -35.8263 -35.8263 -8.6652 -8.6652 -8.6652 -8.6652 -6.3909 -6.3909 -6.3909 -6.3909 1.3207 1.3207 1.3207 1.3207 2.5230 2.5230 2.5230 2.5230 2.7444 2.7444 2.7444 2.7444 3.2397 3.2397 3.2397 3.2397 4.5096 4.5096 4.5096 4.5096 5.1930 5.1930 5.1930 5.1930 6.1866 6.1866 6.1866 6.1866 6.8780 6.8780 6.8780 6.8780 7.1174 7.1174 7.1174 7.1174 9.0106 9.0106 9.0106 9.0106 k = 0.0000 0.3566 0.2201 ( 10878 PWs) bands (ev): -64.7796 -64.7796 -64.7791 -64.7791 -36.8413 -36.8413 -36.8410 -36.8410 -35.8933 -35.8933 -35.8930 -35.8930 -35.8266 -35.8266 -35.8261 -35.8261 -8.6696 -8.6696 -8.6610 -8.6610 -6.4295 -6.4295 -6.3521 -6.3521 1.2655 1.2655 1.3781 1.3781 2.5056 2.5056 2.5373 2.5373 2.7289 2.7289 2.7662 2.7662 3.2306 3.2306 3.2489 3.2489 4.4935 4.4935 4.5264 4.5264 5.1685 5.1685 5.2151 5.2151 6.1856 6.1856 6.1884 6.1884 6.8738 6.8738 6.8785 6.8785 7.1127 7.1127 7.1212 7.1212 9.0091 9.0091 9.0109 9.0109 k = 0.0000 0.3454 0.2201 ( 10870 PWs) bands (ev): -64.7795 -64.7795 -64.7786 -64.7786 -36.8414 -36.8414 -36.8407 -36.8407 -35.8934 -35.8934 -35.8927 -35.8927 -35.8268 -35.8268 -35.8259 -35.8259 -8.6743 -8.6743 -8.6571 -8.6571 -6.4679 -6.4679 -6.3134 -6.3134 1.2123 1.2123 1.4367 1.4367 2.4857 2.4857 2.5495 2.5495 2.7212 2.7212 2.7943 2.7943 3.2217 3.2217 3.2580 3.2580 4.4787 4.4787 4.5447 4.5447 5.1422 5.1422 5.2346 5.2346 6.1868 6.1868 6.1924 6.1924 6.8707 6.8707 6.8792 6.8792 7.1041 7.1041 7.1210 7.1210 9.0070 9.0070 9.0100 9.0100 k = 0.0000 0.3343 0.2201 ( 10878 PWs) bands (ev): -64.7799 -64.7799 -64.7788 -64.7788 -36.8416 -36.8416 -36.8406 -36.8406 -35.8936 -35.8936 -35.8926 -35.8926 -35.8271 -35.8271 -35.8257 -35.8257 -8.6793 -8.6793 -8.6536 -8.6536 -6.5060 -6.5060 -6.2748 -6.2748 1.1619 1.1619 1.4966 1.4966 2.4626 2.4626 2.5596 2.5596 2.7208 2.7208 2.8272 2.8272 3.2129 3.2129 3.2670 3.2670 4.4646 4.4646 4.5636 4.5636 5.1140 5.1140 5.2511 5.2511 6.1880 6.1880 6.1969 6.1969 6.8635 6.8635 6.8776 6.8776 7.0946 7.0946 7.1185 7.1185 9.0035 9.0035 9.0069 9.0069 k = 0.0000 0.3232 0.2201 ( 10884 PWs) bands (ev): -64.7803 -64.7803 -64.7789 -64.7789 -36.8418 -36.8418 -36.8405 -36.8405 -35.8938 -35.8938 -35.8925 -35.8925 -35.8274 -35.8274 -35.8255 -35.8255 -8.6845 -8.6845 -8.6504 -8.6504 -6.5436 -6.5436 -6.2365 -6.2365 1.1145 1.1145 1.5571 1.5571 2.4366 2.4366 2.5684 2.5684 2.7274 2.7274 2.8645 2.8645 3.2044 3.2044 3.2758 3.2758 4.4516 4.4516 4.5837 4.5837 5.0845 5.0845 5.2646 5.2646 6.1920 6.1920 6.2047 6.2047 6.8552 6.8552 6.8764 6.8764 7.0817 7.0817 7.1140 7.1140 8.9993 8.9993 9.0020 9.0020 k = 0.0000 0.3120 0.2201 ( 10880 PWs) bands (ev): -64.7805 -64.7805 -64.7784 -64.7784 -36.8419 -36.8419 -36.8403 -36.8403 -35.8939 -35.8939 -35.8923 -35.8923 -35.8275 -35.8275 -35.8253 -35.8253 -8.6899 -8.6899 -8.6475 -8.6475 -6.5807 -6.5807 -6.1986 -6.1986 1.0702 1.0702 1.6177 1.6177 2.4090 2.4090 2.5769 2.5769 2.7404 2.7404 2.9064 2.9064 3.1959 3.1959 3.2847 3.2847 4.4394 4.4394 4.6049 4.6049 5.0540 5.0540 5.2747 5.2747 6.1965 6.1965 6.2146 6.2146 6.8469 6.8469 6.8740 6.8740 7.0661 7.0661 7.1092 7.1092 8.9936 8.9936 8.9966 8.9966 k = 0.0000 0.3009 0.2201 ( 10870 PWs) bands (ev): -64.7799 -64.7799 -64.7783 -64.7783 -36.8421 -36.8421 -36.8400 -36.8400 -35.8940 -35.8940 -35.8920 -35.8920 -35.8278 -35.8278 -35.8249 -35.8249 -8.6954 -8.6954 -8.6450 -8.6450 -6.6171 -6.6171 -6.1611 -6.1611 1.0293 1.0293 1.6778 1.6778 2.3797 2.3797 2.5859 2.5859 2.7586 2.7586 2.9531 2.9531 3.1881 3.1881 3.2935 3.2935 4.4280 4.4280 4.6273 4.6273 5.0228 5.0228 5.2811 5.2811 6.2024 6.2024 6.2256 6.2256 6.8377 6.8377 6.8693 6.8693 7.0497 7.0497 7.1028 7.1028 8.9882 8.9882 8.9898 8.9898 k = 0.0000 0.2897 0.2201 ( 10880 PWs) bands (ev): -64.7806 -64.7806 -64.7784 -64.7784 -36.8423 -36.8423 -36.8399 -36.8399 -35.8942 -35.8942 -35.8919 -35.8919 -35.8281 -35.8281 -35.8248 -35.8248 -8.7011 -8.7011 -8.6429 -8.6429 -6.6528 -6.6528 -6.1243 -6.1243 0.9919 0.9919 1.7370 1.7370 2.3490 2.3490 2.5957 2.5957 2.7810 2.7810 3.0035 3.0035 3.1800 3.1800 3.3021 3.3021 4.4173 4.4173 4.6501 4.6501 4.9914 4.9914 5.2836 5.2836 6.2066 6.2066 6.2377 6.2377 6.8251 6.8251 6.8636 6.8636 7.0293 7.0293 7.0942 7.0942 8.9768 8.9768 8.9811 8.9811 k = 0.0000 0.2786 0.2201 ( 10870 PWs) bands (ev): -64.7803 -64.7803 -64.7781 -64.7781 -36.8424 -36.8424 -36.8397 -36.8397 -35.8943 -35.8943 -35.8916 -35.8916 -35.8282 -35.8282 -35.8245 -35.8245 -8.7068 -8.7068 -8.6411 -8.6411 -6.6876 -6.6876 -6.0882 -6.0882 0.9584 0.9584 1.7949 1.7949 2.3172 2.3172 2.6067 2.6067 2.8070 2.8070 3.0589 3.0589 3.1727 3.1727 3.3109 3.3109 4.4075 4.4075 4.6734 4.6734 4.9605 4.9605 5.2823 5.2823 6.2131 6.2131 6.2525 6.2525 6.8127 6.8127 6.8588 6.8588 7.0094 7.0094 7.0852 7.0852 8.9347 8.9347 8.9735 8.9735 k = 0.0000 0.2674 0.2201 ( 10866 PWs) bands (ev): -64.7801 -64.7801 -64.7780 -64.7780 -36.8426 -36.8426 -36.8394 -36.8394 -35.8944 -35.8944 -35.8914 -35.8914 -35.8285 -35.8285 -35.8242 -35.8242 -8.7127 -8.7127 -8.6397 -8.6397 -6.7215 -6.7215 -6.0530 -6.0530 0.9286 0.9286 1.8510 1.8510 2.2847 2.2847 2.6190 2.6190 2.8361 2.8361 3.1185 3.1185 3.1656 3.1656 3.3191 3.3191 4.3982 4.3982 4.6964 4.6964 4.9311 4.9311 5.2771 5.2771 6.2201 6.2201 6.2686 6.2686 6.7978 6.7978 6.8520 6.8520 6.9885 6.9885 7.0749 7.0749 8.8815 8.8815 8.9640 8.9640 k = 0.0000 0.2563 0.2201 ( 10872 PWs) bands (ev): -64.7806 -64.7806 -64.7779 -64.7779 -36.8427 -36.8427 -36.8393 -36.8393 -35.8946 -35.8946 -35.8913 -35.8913 -35.8287 -35.8287 -35.8241 -35.8241 -8.7186 -8.7186 -8.6386 -8.6386 -6.7544 -6.7544 -6.0187 -6.0187 0.9029 0.9029 1.9048 1.9048 2.2515 2.2515 2.6325 2.6325 2.8677 2.8677 3.1587 3.1587 3.1823 3.1823 3.3272 3.3272 4.3896 4.3896 4.7169 4.7169 4.9050 4.9050 5.2679 5.2679 6.2263 6.2263 6.2859 6.2859 6.7795 6.7795 6.8446 6.8446 6.9664 6.9664 7.0632 7.0632 8.8277 8.8277 8.9518 8.9518 k = 0.0000 0.2452 0.2201 ( 10876 PWs) bands (ev): -64.7805 -64.7805 -64.7783 -64.7783 -36.8430 -36.8430 -36.8391 -36.8391 -35.8948 -35.8948 -35.8910 -35.8910 -35.8290 -35.8290 -35.8239 -35.8239 -8.7245 -8.7245 -8.6379 -8.6379 -6.7861 -6.7861 -5.9854 -5.9854 0.8811 0.8811 1.9559 1.9559 2.2180 2.2180 2.6473 2.6473 2.9015 2.9015 3.1528 3.1528 3.2505 3.2505 3.3354 3.3354 4.3815 4.3815 4.7325 4.7325 4.8860 4.8860 5.2547 5.2547 6.2329 6.2329 6.3034 6.3034 6.7603 6.7603 6.8343 6.8343 6.9450 6.9450 7.0491 7.0491 8.7743 8.7743 8.9390 8.9390 k = 0.0000 0.2340 0.2201 ( 10884 PWs) bands (ev): -64.7811 -64.7811 -64.7784 -64.7784 -36.8431 -36.8431 -36.8390 -36.8390 -35.8949 -35.8949 -35.8909 -35.8909 -35.8293 -35.8293 -35.8237 -35.8237 -8.7304 -8.7304 -8.6376 -8.6376 -6.8168 -6.8168 -5.9532 -5.9532 0.8634 0.8634 2.0037 2.0037 2.1845 2.1845 2.6631 2.6631 2.9369 2.9369 3.1473 3.1473 3.3193 3.3193 3.3468 3.3468 4.3742 4.3742 4.7374 4.7374 4.8794 4.8794 5.2379 5.2379 6.2391 6.2391 6.3213 6.3213 6.7394 6.7394 6.8262 6.8262 6.9229 6.9229 7.0357 7.0357 8.7179 8.7179 8.9257 8.9257 k = 0.0000 0.2229 0.2201 ( 10882 PWs) bands (ev): -64.7811 -64.7811 -64.7783 -64.7783 -36.8433 -36.8433 -36.8388 -36.8388 -35.8950 -35.8950 -35.8907 -35.8907 -35.8295 -35.8295 -35.8235 -35.8235 -8.7362 -8.7362 -8.6376 -8.6376 -6.8462 -6.8462 -5.9223 -5.9223 0.8498 0.8498 2.0458 2.0458 2.1538 2.1538 2.6800 2.6800 2.9737 2.9737 3.1432 3.1432 3.3468 3.3468 3.4031 3.4031 4.3675 4.3675 4.7295 4.7295 4.8880 4.8880 5.2177 5.2177 6.2455 6.2455 6.3377 6.3377 6.7162 6.7162 6.8172 6.8172 6.9053 6.9053 7.0238 7.0238 8.6632 8.6632 8.9114 8.9114 k = 0.0000 0.2117 0.2201 ( 10874 PWs) bands (ev): -64.7809 -64.7809 -64.7779 -64.7779 -36.8434 -36.8434 -36.8386 -36.8386 -35.8951 -35.8951 -35.8905 -35.8905 -35.8296 -35.8296 -35.8232 -35.8232 -8.7420 -8.7420 -8.6378 -8.6378 -6.8743 -6.8743 -5.8926 -5.8926 0.8404 0.8404 2.0697 2.0697 2.1382 2.1382 2.6978 2.6978 3.0105 3.0105 3.1412 3.1412 3.3555 3.3555 3.4812 3.4812 4.3616 4.3616 4.7129 4.7129 4.9081 4.9081 5.1944 5.1944 6.2519 6.2519 6.3524 6.3524 6.6914 6.6914 6.8084 6.8084 6.8915 6.8915 7.0127 7.0127 8.6070 8.6070 8.8976 8.8976 k = 0.0000 0.2006 0.2201 ( 10866 PWs) bands (ev): -64.7806 -64.7806 -64.7776 -64.7776 -36.8435 -36.8435 -36.8384 -36.8384 -35.8952 -35.8952 -35.8903 -35.8903 -35.8298 -35.8298 -35.8230 -35.8230 -8.7477 -8.7477 -8.6384 -8.6384 -6.9012 -6.9012 -5.8643 -5.8643 0.8350 0.8350 2.0543 2.0543 2.1590 2.1590 2.7163 2.7163 3.0452 3.0452 3.1435 3.1435 3.3631 3.3631 3.5612 3.5612 4.3565 4.3565 4.6935 4.6935 4.9342 4.9342 5.1689 5.1689 6.2583 6.2583 6.3643 6.3643 6.6645 6.6645 6.7990 6.7990 6.8829 6.8829 6.9999 6.9999 8.5535 8.5535 8.8830 8.8830 k = 0.0000 0.1894 0.2201 ( 10850 PWs) bands (ev): -64.7795 -64.7795 -64.7777 -64.7777 -36.8436 -36.8436 -36.8381 -36.8381 -35.8953 -35.8953 -35.8899 -35.8899 -35.8300 -35.8300 -35.8226 -35.8226 -8.7532 -8.7532 -8.6392 -8.6392 -6.9266 -6.9266 -5.8374 -5.8374 0.8338 0.8338 2.0216 2.0216 2.1941 2.1941 2.7357 2.7357 3.0721 3.0721 3.1552 3.1552 3.3703 3.3703 3.6414 3.6414 4.3527 4.3527 4.6753 4.6753 4.9624 4.9624 5.1429 5.1429 6.2670 6.2670 6.3726 6.3726 6.6368 6.6368 6.7885 6.7885 6.8803 6.8803 6.9879 6.9879 8.4972 8.4972 8.8677 8.8677 k = 0.0000 0.1783 0.2201 ( 10834 PWs) bands (ev): -64.7788 -64.7788 -64.7773 -64.7773 -36.8437 -36.8437 -36.8378 -36.8378 -35.8953 -35.8953 -35.8897 -35.8897 -35.8301 -35.8301 -35.8222 -35.8222 -8.7586 -8.7586 -8.6402 -8.6402 -6.9507 -6.9507 -5.8119 -5.8119 0.8365 0.8365 1.9848 1.9848 2.2305 2.2305 2.7556 2.7556 3.0863 3.0863 3.1814 3.1814 3.3779 3.3779 3.7181 3.7181 4.3506 4.3506 4.6615 4.6615 4.9862 4.9862 5.1203 5.1203 6.2727 6.2727 6.3758 6.3758 6.6060 6.6060 6.7794 6.7794 6.8847 6.8847 6.9784 6.9784 8.4417 8.4417 8.8530 8.8530 k = 0.0000 0.1672 0.2201 ( 10836 PWs) bands (ev): -64.7792 -64.7792 -64.7771 -64.7771 -36.8437 -36.8437 -36.8377 -36.8377 -35.8954 -35.8954 -35.8896 -35.8896 -35.8302 -35.8302 -35.8221 -35.8221 -8.7638 -8.7638 -8.6414 -8.6414 -6.9734 -6.9734 -5.7879 -5.7879 0.8430 0.8430 1.9460 1.9460 2.2656 2.2656 2.7759 2.7759 3.0905 3.0905 3.2178 3.2178 3.3857 3.3857 3.7875 3.7875 4.3507 4.3507 4.6551 4.6551 4.9944 4.9944 5.1122 5.1122 6.2768 6.2768 6.3745 6.3745 6.5726 6.5726 6.7713 6.7713 6.8938 6.8938 6.9690 6.9690 8.3850 8.3850 8.8369 8.8369 k = 0.0000 0.1560 0.2201 ( 10830 PWs) bands (ev): -64.7792 -64.7792 -64.7767 -64.7767 -36.8438 -36.8438 -36.8376 -36.8376 -35.8954 -35.8954 -35.8894 -35.8894 -35.8304 -35.8304 -35.8219 -35.8219 -8.7688 -8.7688 -8.6428 -8.6428 -6.9946 -6.9946 -5.7655 -5.7655 0.8532 0.8532 1.9061 1.9061 2.2990 2.2990 2.7967 2.7967 3.0906 3.0906 3.2582 3.2582 3.3952 3.3952 3.8469 3.8469 4.3530 4.3530 4.6596 4.6596 4.9783 4.9783 5.1279 5.1279 6.2812 6.2812 6.3698 6.3698 6.5385 6.5385 6.7650 6.7650 6.9095 6.9095 6.9597 6.9597 8.3264 8.3264 8.8219 8.8219 k = 0.0000 0.1449 0.2201 ( 10832 PWs) bands (ev): -64.7794 -64.7794 -64.7767 -64.7767 -36.8439 -36.8439 -36.8375 -36.8375 -35.8955 -35.8955 -35.8894 -35.8894 -35.8305 -35.8305 -35.8217 -35.8217 -8.7736 -8.7736 -8.6443 -8.6443 -7.0144 -7.0144 -5.7446 -5.7446 0.8671 0.8671 1.8652 1.8652 2.3304 2.3304 2.8180 2.8180 3.0890 3.0890 3.2981 3.2981 3.4081 3.4081 3.8924 3.8924 4.3570 4.3570 4.6784 4.6784 4.9460 4.9460 5.1590 5.1590 6.2839 6.2839 6.3606 6.3606 6.5019 6.5019 6.7557 6.7557 6.9291 6.9291 6.9538 6.9538 8.2682 8.2682 8.8018 8.8018 k = 0.0000 0.1337 0.2201 ( 10828 PWs) bands (ev): -64.7794 -64.7794 -64.7764 -64.7764 -36.8440 -36.8440 -36.8374 -36.8374 -35.8956 -35.8956 -35.8892 -35.8892 -35.8306 -35.8306 -35.8216 -35.8216 -8.7781 -8.7781 -8.6459 -8.6459 -7.0328 -7.0328 -5.7253 -5.7253 0.8844 0.8844 1.8236 1.8236 2.3599 2.3599 2.8398 2.8398 3.0870 3.0870 3.3328 3.3328 3.4279 3.4279 3.9224 3.9224 4.3614 4.3614 4.7131 4.7131 4.9077 4.9077 5.1970 5.1970 6.2867 6.2867 6.3491 6.3491 6.4642 6.4642 6.7481 6.7481 6.9374 6.9374 6.9661 6.9661 8.2099 8.2099 8.6972 8.6972 k = 0.0000 0.1226 0.2201 ( 10832 PWs) bands (ev): -64.7800 -64.7800 -64.7760 -64.7760 -36.8440 -36.8440 -36.8374 -36.8374 -35.8956 -35.8956 -35.8892 -35.8892 -35.8307 -35.8307 -35.8216 -35.8216 -8.7823 -8.7823 -8.6476 -8.6476 -7.0496 -7.0496 -5.7075 -5.7075 0.9049 0.9049 1.7814 1.7814 2.3869 2.3869 2.8619 2.8619 3.0845 3.0845 3.3577 3.3577 3.4579 3.4579 3.9375 3.9375 4.3646 4.3646 4.7578 4.7578 4.8728 4.8728 5.2381 5.2381 6.2880 6.2880 6.3368 6.3368 6.4251 6.4251 6.7402 6.7402 6.9333 6.9333 6.9941 6.9941 8.1521 8.1521 8.5830 8.5830 k = 0.0000 0.1114 0.2201 ( 10836 PWs) bands (ev): -64.7801 -64.7801 -64.7762 -64.7762 -36.8441 -36.8441 -36.8373 -36.8373 -35.8957 -35.8957 -35.8891 -35.8891 -35.8308 -35.8308 -35.8215 -35.8215 -8.7862 -8.7862 -8.6492 -8.6492 -7.0650 -7.0650 -5.6914 -5.6914 0.9287 0.9287 1.7384 1.7384 2.4120 2.4120 2.8844 2.8844 3.0821 3.0821 3.3735 3.3735 3.4974 3.4974 3.9409 3.9409 4.3662 4.3662 4.7735 4.7735 4.8796 4.8796 5.2810 5.2810 6.2885 6.2885 6.3223 6.3223 6.3844 6.3844 6.7311 6.7311 6.9290 6.9290 7.0292 7.0292 8.0935 8.0935 8.4667 8.4667 k = 0.0000 0.1003 0.2201 ( 10834 PWs) bands (ev): -64.7809 -64.7809 -64.7754 -64.7754 -36.8441 -36.8441 -36.8373 -36.8373 -35.8956 -35.8956 -35.8891 -35.8891 -35.8308 -35.8308 -35.8215 -35.8215 -8.7898 -8.7898 -8.6509 -8.6509 -7.0789 -7.0789 -5.6768 -5.6768 0.9553 0.9553 1.6948 1.6948 2.4345 2.4345 2.9071 2.9071 3.0798 3.0798 3.3842 3.3842 3.5413 3.5413 3.9361 3.9361 4.3663 4.3663 4.7381 4.7381 4.9465 4.9465 5.3253 5.3253 6.2862 6.2862 6.3082 6.3082 6.3442 6.3442 6.7262 6.7262 6.9282 6.9282 7.0671 7.0671 8.0354 8.0354 8.3479 8.3479 k = 0.0000 0.0891 0.2201 ( 10826 PWs) bands (ev): -64.7805 -64.7805 -64.7752 -64.7752 -36.8441 -36.8441 -36.8371 -36.8371 -35.8956 -35.8956 -35.8889 -35.8889 -35.8309 -35.8309 -35.8213 -35.8213 -8.7931 -8.7931 -8.6524 -8.6524 -7.0913 -7.0913 -5.6638 -5.6638 0.9849 0.9849 1.6507 1.6507 2.4549 2.4549 2.9296 2.9296 3.0778 3.0778 3.3923 3.3923 3.5862 3.5862 3.9273 3.9273 4.3654 4.3654 4.6898 4.6898 5.0321 5.0321 5.3706 5.3706 6.2804 6.2804 6.2939 6.2939 6.3098 6.3098 6.7195 6.7195 6.9268 6.9268 7.1098 7.1098 7.9771 7.9771 8.2311 8.2311 k = 0.0000 0.0780 0.2201 ( 10818 PWs) bands (ev): -64.7801 -64.7801 -64.7751 -64.7751 -36.8441 -36.8441 -36.8370 -36.8370 -35.8957 -35.8957 -35.8888 -35.8888 -35.8309 -35.8309 -35.8211 -35.8211 -8.7961 -8.7961 -8.6539 -8.6539 -7.1023 -7.1023 -5.6523 -5.6523 1.0168 1.0168 1.6062 1.6062 2.4729 2.4729 2.9517 2.9517 3.0759 3.0759 3.3989 3.3989 3.6284 3.6284 3.9185 3.9185 4.3639 4.3639 4.6382 4.6382 5.1231 5.1231 5.4163 5.4163 6.2529 6.2529 6.2872 6.2872 6.2891 6.2891 6.7136 6.7136 6.9271 6.9271 7.1543 7.1543 7.9191 7.9191 8.1171 8.1171 k = 0.0000 0.0669 0.2201 ( 10838 PWs) bands (ev): -64.7806 -64.7806 -64.7760 -64.7760 -36.8443 -36.8443 -36.8370 -36.8370 -35.8959 -35.8959 -35.8888 -35.8888 -35.8311 -35.8311 -35.8212 -35.8212 -8.7986 -8.7986 -8.6552 -8.6552 -7.1117 -7.1117 -5.6424 -5.6424 1.0509 1.0509 1.5612 1.5612 2.4883 2.4883 2.9727 2.9727 3.0740 3.0740 3.4046 3.4046 3.6642 3.6642 3.9143 3.9143 4.3619 4.3619 4.5855 4.5855 5.2139 5.2139 5.4614 5.4614 6.2123 6.2123 6.2751 6.2751 6.2818 6.2818 6.7059 6.7059 6.9264 6.9264 7.1977 7.1977 7.8592 7.8592 8.0071 8.0071 k = 0.0000 0.0557 0.2201 ( 10834 PWs) bands (ev): -64.7806 -64.7806 -64.7757 -64.7757 -36.8443 -36.8443 -36.8369 -36.8369 -35.8959 -35.8959 -35.8887 -35.8887 -35.8312 -35.8312 -35.8211 -35.8211 -8.8008 -8.8008 -8.6564 -8.6564 -7.1197 -7.1197 -5.6341 -5.6341 1.0871 1.0871 1.5162 1.5162 2.5013 2.5013 2.9924 2.9924 3.0725 3.0725 3.4105 3.4105 3.6899 3.6899 3.9196 3.9196 4.3595 4.3595 4.5337 4.5337 5.3003 5.3003 5.5062 5.5062 6.1729 6.1729 6.2648 6.2648 6.2761 6.2761 6.7010 6.7010 6.9291 6.9291 7.2448 7.2448 7.8035 7.8035 7.9050 7.9050 k = 0.0000 0.0446 0.2201 ( 10826 PWs) bands (ev): -64.7804 -64.7804 -64.7754 -64.7754 -36.8443 -36.8443 -36.8369 -36.8369 -35.8958 -35.8958 -35.8886 -35.8886 -35.8312 -35.8312 -35.8210 -35.8210 -8.8026 -8.8026 -8.6574 -8.6574 -7.1263 -7.1263 -5.6272 -5.6272 1.1251 1.1251 1.4711 1.4711 2.5118 2.5118 3.0100 3.0100 3.0712 3.0712 3.4160 3.4160 3.7031 3.7031 3.9367 3.9367 4.3563 4.3563 4.4842 4.4842 5.3780 5.3780 5.5499 5.5499 6.1368 6.1368 6.2562 6.2562 6.2694 6.2694 6.6976 6.6976 6.9342 6.9342 7.2917 7.2917 7.7498 7.7498 7.8120 7.8120 k = 0.0000 0.0334 0.2201 ( 10822 PWs) bands (ev): -64.7804 -64.7804 -64.7751 -64.7751 -36.8443 -36.8443 -36.8368 -36.8368 -35.8958 -35.8958 -35.8886 -35.8886 -35.8312 -35.8312 -35.8210 -35.8210 -8.8041 -8.8041 -8.6582 -8.6582 -7.1314 -7.1314 -5.6219 -5.6219 1.1645 1.1645 1.4262 1.4262 2.5199 2.5199 3.0250 3.0250 3.0698 3.0698 3.4206 3.4206 3.7062 3.7062 3.9630 3.9630 4.3512 4.3512 4.4405 4.4405 5.4431 5.4431 5.5904 5.5904 6.1037 6.1037 6.2503 6.2503 6.2622 6.2622 6.6958 6.6958 6.9406 6.9406 7.3373 7.3373 7.6970 7.6970 7.7336 7.7336 k = 0.0000 0.0223 0.2201 ( 10824 PWs) bands (ev): -64.7806 -64.7806 -64.7751 -64.7751 -36.8443 -36.8443 -36.8368 -36.8368 -35.8958 -35.8958 -35.8885 -35.8885 -35.8312 -35.8312 -35.8210 -35.8210 -8.8051 -8.8051 -8.6588 -8.6588 -7.1350 -7.1350 -5.6182 -5.6182 1.2051 1.2051 1.3818 1.3818 2.5257 2.5257 3.0367 3.0367 3.0685 3.0685 3.4243 3.4243 3.7041 3.7041 3.9916 3.9916 4.3419 4.3419 4.4079 4.4079 5.4918 5.4918 5.6249 5.6249 6.0756 6.0756 6.2457 6.2457 6.2554 6.2554 6.6933 6.6933 6.9476 6.9476 7.3798 7.3798 7.6480 7.6480 7.6733 7.6733 k = 0.0000 0.0111 0.2201 ( 10832 PWs) bands (ev): -64.7810 -64.7810 -64.7753 -64.7753 -36.8444 -36.8444 -36.8368 -36.8368 -35.8958 -35.8958 -35.8885 -35.8885 -35.8313 -35.8313 -35.8211 -35.8211 -8.8057 -8.8057 -8.6592 -8.6592 -7.1372 -7.1372 -5.6159 -5.6159 1.2461 1.2461 1.3384 1.3384 2.5292 2.5292 3.0443 3.0443 3.0668 3.0668 3.4266 3.4266 3.7012 3.7012 4.0144 4.0144 4.3290 4.3290 4.3910 4.3910 5.5218 5.5218 5.6489 5.6489 6.0569 6.0569 6.2425 6.2425 6.2493 6.2493 6.6920 6.6920 6.9507 6.9507 7.4156 7.4156 7.6094 7.6094 7.6346 7.6346 k = 0.0000 0.0000 0.2201 ( 10830 PWs) bands (ev): -64.7811 -64.7811 -64.7751 -64.7751 -36.8443 -36.8443 -36.8368 -36.8368 -35.8958 -35.8958 -35.8885 -35.8885 -35.8313 -35.8313 -35.8211 -35.8211 -8.8059 -8.8059 -8.6593 -8.6593 -7.1379 -7.1379 -5.6151 -5.6151 1.2768 1.2768 1.3070 1.3070 2.5303 2.5303 3.0472 3.0472 3.0662 3.0662 3.4276 3.4276 3.6999 3.6999 4.0233 4.0233 4.3226 4.3226 4.3865 4.3865 5.5320 5.5320 5.6577 5.6577 6.0504 6.0504 6.2417 6.2417 6.2473 6.2473 6.6920 6.6920 6.9538 6.9538 7.4317 7.4317 7.5920 7.5920 7.6207 7.6207 k = 0.0000 0.3677-0.0000 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8267 -35.8267 -35.8267 -35.8267 -8.6675 -8.6675 -8.6675 -8.6675 -6.3826 -6.3826 -6.3826 -6.3826 1.0681 1.0681 1.0681 1.0681 2.4216 2.4216 2.4216 2.4216 3.2252 3.2252 3.2252 3.2252 3.6607 3.6607 3.6607 3.6607 4.4216 4.4216 4.4216 4.4216 4.5898 4.5898 4.5898 4.5898 6.2194 6.2194 6.2194 6.2194 6.8865 6.8865 6.8865 6.8865 7.2022 7.2022 7.2022 7.2022 9.0244 9.0244 9.0244 9.0244 k = 0.0000 0.3677 0.0110 ( 10924 PWs) bands (ev): -64.7809 -64.7809 -64.7809 -64.7809 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8268 -35.8268 -35.8268 -35.8268 -8.6675 -8.6675 -8.6675 -8.6675 -6.3827 -6.3827 -6.3827 -6.3827 1.0694 1.0694 1.0694 1.0694 2.4217 2.4217 2.4217 2.4217 3.2246 3.2246 3.2246 3.2246 3.6529 3.6529 3.6529 3.6529 4.4252 4.4252 4.4252 4.4252 4.5934 4.5934 4.5934 4.5934 6.2193 6.2193 6.2193 6.2193 6.8862 6.8862 6.8862 6.8862 7.2011 7.2011 7.2011 7.2011 9.0234 9.0234 9.0234 9.0234 k = 0.0000 0.3677 0.0220 ( 10918 PWs) bands (ev): -64.7807 -64.7807 -64.7807 -64.7807 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8267 -35.8267 -35.8267 -35.8267 -8.6675 -8.6675 -8.6675 -8.6675 -6.3828 -6.3828 -6.3828 -6.3828 1.0732 1.0732 1.0732 1.0732 2.4222 2.4222 2.4222 2.4222 3.2243 3.2243 3.2243 3.2243 3.6308 3.6308 3.6308 3.6308 4.4347 4.4347 4.4347 4.4347 4.6047 4.6047 4.6047 4.6047 6.2190 6.2190 6.2190 6.2190 6.8862 6.8862 6.8862 6.8862 7.2005 7.2005 7.2005 7.2005 9.0239 9.0239 9.0239 9.0239 k = 0.0000 0.3677 0.0330 ( 10920 PWs) bands (ev): -64.7808 -64.7808 -64.7808 -64.7808 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8268 -35.8268 -35.8268 -35.8268 -8.6674 -8.6674 -8.6674 -8.6674 -6.3831 -6.3831 -6.3831 -6.3831 1.0795 1.0795 1.0795 1.0795 2.4232 2.4232 2.4232 2.4232 3.2231 3.2231 3.2231 3.2231 3.5963 3.5963 3.5963 3.5963 4.4471 4.4471 4.4471 4.4471 4.6245 4.6245 4.6245 4.6245 6.2173 6.2173 6.2173 6.2173 6.8861 6.8861 6.8861 6.8861 7.1979 7.1979 7.1979 7.1979 9.0234 9.0234 9.0234 9.0234 k = 0.0000 0.3677 0.0440 ( 10916 PWs) bands (ev): -64.7806 -64.7806 -64.7806 -64.7806 -36.8413 -36.8413 -36.8413 -36.8413 -35.8932 -35.8932 -35.8932 -35.8932 -35.8267 -35.8267 -35.8267 -35.8267 -8.6673 -8.6673 -8.6673 -8.6673 -6.3834 -6.3834 -6.3834 -6.3834 1.0882 1.0882 1.0882 1.0882 2.4246 2.4246 2.4246 2.4246 3.2215 3.2215 3.2215 3.2215 3.5525 3.5525 3.5525 3.5525 4.4592 4.4592 4.4592 4.4592 4.6532 4.6532 4.6532 4.6532 6.2155 6.2155 6.2155 6.2155 6.8860 6.8860 6.8860 6.8860 7.1957 7.1957 7.1957 7.1957 9.0233 9.0233 9.0233 9.0233 k = 0.0000 0.3677 0.0550 ( 10920 PWs) bands (ev): -64.7808 -64.7808 -64.7808 -64.7808 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8268 -35.8268 -35.8268 -35.8268 -8.6672 -8.6672 -8.6672 -8.6672 -6.3838 -6.3838 -6.3838 -6.3838 1.0992 1.0992 1.0992 1.0992 2.4262 2.4262 2.4262 2.4262 3.2188 3.2188 3.2188 3.2188 3.5020 3.5020 3.5020 3.5020 4.4694 4.4694 4.4694 4.4694 4.6898 4.6898 4.6898 4.6898 6.2132 6.2132 6.2132 6.2132 6.8867 6.8867 6.8867 6.8867 7.1907 7.1907 7.1907 7.1907 9.0226 9.0226 9.0226 9.0226 k = 0.0000 0.3677 0.0660 ( 10920 PWs) bands (ev): -64.7808 -64.7808 -64.7808 -64.7808 -36.8413 -36.8413 -36.8413 -36.8413 -35.8933 -35.8933 -35.8933 -35.8933 -35.8268 -35.8268 -35.8268 -35.8268 -8.6670 -8.6670 -8.6670 -8.6670 -6.3843 -6.3843 -6.3843 -6.3843 1.1122 1.1122 1.1122 1.1122 2.4283 2.4283 2.4283 2.4283 3.2149 3.2149 3.2149 3.2149 3.4481 3.4481 3.4481 3.4481 4.4774 4.4774 4.4774 4.4774 4.7322 4.7322 4.7322 4.7322 6.2113 6.2113 6.2113 6.2113 6.8861 6.8861 6.8861 6.8861 7.1850 7.1850 7.1850 7.1850 9.0226 9.0226 9.0226 9.0226 k = 0.0000 0.3677 0.0770 ( 10904 PWs) bands (ev): -64.7802 -64.7802 -64.7802 -64.7802 -36.8412 -36.8412 -36.8412 -36.8412 -35.8932 -35.8932 -35.8932 -35.8932 -35.8266 -35.8266 -35.8266 -35.8266 -8.6669 -8.6669 -8.6669 -8.6669 -6.3849 -6.3849 -6.3849 -6.3849 1.1274 1.1274 1.1274 1.1274 2.4311 2.4311 2.4311 2.4311 3.2081 3.2081 3.2081 3.2081 3.3938 3.3938 3.3938 3.3938 4.4836 4.4836 4.4836 4.4836 4.7786 4.7786 4.7786 4.7786 6.2113 6.2113 6.2113 6.2113 6.8859 6.8859 6.8859 6.8859 7.1808 7.1808 7.1808 7.1808 9.0223 9.0223 9.0223 9.0223 k = 0.0000 0.3677 0.0880 ( 10912 PWs) bands (ev): -64.7805 -64.7805 -64.7805 -64.7805 -36.8413 -36.8413 -36.8413 -36.8413 -35.8932 -35.8932 -35.8932 -35.8932 -35.8267 -35.8267 -35.8267 -35.8267 -8.6667 -8.6667 -8.6667 -8.6667 -6.3855 -6.3855 -6.3855 -6.3855 1.1440 1.1440 1.1440 1.1440 2.4344 2.4344 2.4344 2.4344 3.1954 3.1954 3.1954 3.1954 3.3429 3.3429 3.3429 3.3429 4.4884 4.4884 4.4884 4.4884 4.8267 4.8267 4.8267 4.8267 6.2089 6.2089 6.2089 6.2089 6.8845 6.8845 6.8845 6.8845 7.1730 7.1730 7.1730 7.1730 9.0210 9.0210 9.0210 9.0210 k = 0.0000 0.3677 0.0990 ( 10902 PWs) bands (ev): -64.7802 -64.7802 -64.7802 -64.7802 -36.8412 -36.8412 -36.8412 -36.8412 -35.8932 -35.8932 -35.8932 -35.8932 -35.8266 -35.8266 -35.8266 -35.8266 -8.6665 -8.6665 -8.6665 -8.6665 -6.3861 -6.3861 -6.3861 -6.3861 1.1621 1.1621 1.1621 1.1621 2.4386 2.4386 2.4386 2.4386 3.1722 3.1722 3.1722 3.1722 3.3022 3.3022 3.3022 3.3022 4.4923 4.4923 4.4923 4.4923 4.8754 4.8754 4.8754 4.8754 6.2063 6.2063 6.2063 6.2063 6.8836 6.8836 6.8836 6.8836 7.1683 7.1683 7.1683 7.1683 9.0201 9.0201 9.0201 9.0201 k = 0.0000 0.3677 0.1100 ( 10886 PWs) bands (ev): -64.7796 -64.7796 -64.7796 -64.7796 -36.8412 -36.8412 -36.8412 -36.8412 -35.8931 -35.8931 -35.8931 -35.8931 -35.8265 -35.8265 -35.8265 -35.8265 -8.6663 -8.6663 -8.6663 -8.6663 -6.3867 -6.3867 -6.3867 -6.3867 1.1813 1.1813 1.1813 1.1813 2.4434 2.4434 2.4434 2.4434 3.1348 3.1348 3.1348 3.1348 3.2764 3.2764 3.2764 3.2764 4.4956 4.4956 4.4956 4.4956 4.9230 4.9230 4.9230 4.9230 6.2044 6.2044 6.2044 6.2044 6.8834 6.8834 6.8834 6.8834 7.1631 7.1631 7.1631 7.1631 9.0201 9.0201 9.0201 9.0201 k = 0.0000 0.3677 0.1210 ( 10898 PWs) bands (ev): -64.7800 -64.7800 -64.7800 -64.7800 -36.8412 -36.8412 -36.8412 -36.8412 -35.8932 -35.8932 -35.8932 -35.8932 -35.8265 -35.8265 -35.8265 -35.8265 -8.6662 -8.6662 -8.6662 -8.6662 -6.3874 -6.3874 -6.3874 -6.3874 1.2010 1.2010 1.2010 1.2010 2.4488 2.4488 2.4488 2.4488 3.0862 3.0862 3.0862 3.0862 3.2615 3.2615 3.2615 3.2615 4.4984 4.4984 4.4984 4.4984 4.9687 4.9687 4.9687 4.9687 6.2015 6.2015 6.2015 6.2015 6.8817 6.8817 6.8817 6.8817 7.1555 7.1555 7.1555 7.1555 9.0172 9.0172 9.0172 9.0172 k = 0.0000 0.3677 0.1321 ( 10892 PWs) bands (ev): -64.7798 -64.7798 -64.7798 -64.7798 -36.8412 -36.8412 -36.8412 -36.8412 -35.8932 -35.8932 -35.8932 -35.8932 -35.8265 -35.8265 -35.8265 -35.8265 -8.6660 -8.6660 -8.6660 -8.6660 -6.3880 -6.3880 -6.3880 -6.3880 1.2209 1.2209 1.2209 1.2209 2.4553 2.4553 2.4553 2.4553 3.0334 3.0334 3.0334 3.0334 3.2535 3.2535 3.2535 3.2535 4.5007 4.5007 4.5007 4.5007 5.0118 5.0118 5.0118 5.0118 6.2010 6.2010 6.2010 6.2010 6.8809 6.8809 6.8809 6.8809 7.1485 7.1485 7.1485 7.1485 9.0155 9.0155 9.0155 9.0155 k = 0.0000 0.3677 0.1431 ( 10890 PWs) bands (ev): -64.7798 -64.7798 -64.7798 -64.7798 -36.8412 -36.8412 -36.8412 -36.8412 -35.8932 -35.8932 -35.8932 -35.8932 -35.8265 -35.8265 -35.8265 -35.8265 -8.6658 -8.6658 -8.6658 -8.6658 -6.3886 -6.3886 -6.3886 -6.3886 1.2404 1.2404 1.2404 1.2404 2.4630 2.4630 2.4630 2.4630 2.9802 2.9802 2.9802 2.9802 3.2487 3.2487 3.2487 3.2487 4.5028 4.5028 4.5028 4.5028 5.0515 5.0515 5.0515 5.0515 6.1979 6.1979 6.1979 6.1979 6.8799 6.8799 6.8799 6.8799 7.1419 7.1419 7.1419 7.1419 9.0145 9.0145 9.0145 9.0145 k = 0.0000 0.3677 0.1541 ( 10886 PWs) bands (ev): -64.7797 -64.7797 -64.7797 -64.7797 -36.8412 -36.8412 -36.8412 -36.8412 -35.8931 -35.8931 -35.8931 -35.8931 -35.8265 -35.8265 -35.8265 -35.8265 -8.6656 -8.6656 -8.6656 -8.6656 -6.3892 -6.3892 -6.3892 -6.3892 1.2591 1.2591 1.2591 1.2591 2.4717 2.4717 2.4717 2.4717 2.9288 2.9288 2.9288 2.9288 3.2459 3.2459 3.2459 3.2459 4.5046 4.5046 4.5046 4.5046 5.0872 5.0872 5.0872 5.0872 6.1950 6.1950 6.1950 6.1950 6.8790 6.8790 6.8790 6.8790 7.1357 7.1357 7.1357 7.1357 9.0144 9.0144 9.0144 9.0144 k = 0.0000 0.3677 0.1651 ( 10880 PWs) bands (ev): -64.7794 -64.7794 -64.7794 -64.7794 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8264 -35.8264 -35.8264 -35.8264 -8.6655 -8.6655 -8.6655 -8.6655 -6.3897 -6.3897 -6.3897 -6.3897 1.2763 1.2763 1.2763 1.2763 2.4815 2.4815 2.4815 2.4815 2.8807 2.8807 2.8807 2.8807 3.2438 3.2438 3.2438 3.2438 4.5061 4.5061 4.5061 4.5061 5.1185 5.1185 5.1185 5.1185 6.1929 6.1929 6.1929 6.1929 6.8785 6.8785 6.8785 6.8785 7.1303 7.1303 7.1303 7.1303 9.0137 9.0137 9.0137 9.0137 k = 0.0000 0.3677 0.1761 ( 10874 PWs) bands (ev): -64.7792 -64.7792 -64.7792 -64.7792 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8264 -35.8264 -35.8264 -35.8264 -8.6654 -8.6654 -8.6654 -8.6654 -6.3901 -6.3901 -6.3901 -6.3901 1.2914 1.2914 1.2914 1.2914 2.4920 2.4920 2.4920 2.4920 2.8373 2.8373 2.8373 2.8373 3.2425 3.2425 3.2425 3.2425 4.5072 4.5072 4.5072 4.5072 5.1447 5.1447 5.1447 5.1447 6.1905 6.1905 6.1905 6.1905 6.8777 6.8777 6.8777 6.8777 7.1271 7.1271 7.1271 7.1271 9.0136 9.0136 9.0136 9.0136 k = 0.0000 0.3677 0.1871 ( 10876 PWs) bands (ev): -64.7793 -64.7793 -64.7793 -64.7793 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8264 -35.8264 -35.8264 -35.8264 -8.6653 -8.6653 -8.6653 -8.6653 -6.3904 -6.3904 -6.3904 -6.3904 1.3039 1.3039 1.3039 1.3039 2.5027 2.5027 2.5027 2.5027 2.7998 2.7998 2.7998 2.7998 3.2414 3.2414 3.2414 3.2414 4.5082 4.5082 4.5082 4.5082 5.1656 5.1656 5.1656 5.1656 6.1889 6.1889 6.1889 6.1889 6.8770 6.8770 6.8770 6.8770 7.1227 7.1227 7.1227 7.1227 9.0128 9.0128 9.0128 9.0128 k = 0.0000 0.3677 0.1981 ( 10880 PWs) bands (ev): -64.7794 -64.7794 -64.7794 -64.7794 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8264 -35.8264 -35.8264 -35.8264 -8.6652 -8.6652 -8.6652 -8.6652 -6.3907 -6.3907 -6.3907 -6.3907 1.3131 1.3131 1.3131 1.3131 2.5127 2.5127 2.5127 2.5127 2.7703 2.7703 2.7703 2.7703 3.2404 3.2404 3.2404 3.2404 4.5088 4.5088 4.5088 4.5088 5.1807 5.1807 5.1807 5.1807 6.1875 6.1875 6.1875 6.1875 6.8762 6.8762 6.8762 6.8762 7.1200 7.1200 7.1200 7.1200 9.0116 9.0116 9.0116 9.0116 k = 0.0000 0.3677 0.2091 ( 10870 PWs) bands (ev): -64.7791 -64.7791 -64.7791 -64.7791 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8263 -35.8263 -35.8263 -35.8263 -8.6652 -8.6652 -8.6652 -8.6652 -6.3908 -6.3908 -6.3908 -6.3908 1.3189 1.3189 1.3189 1.3189 2.5201 2.5201 2.5201 2.5201 2.7510 2.7510 2.7510 2.7510 3.2402 3.2402 3.2402 3.2402 4.5094 4.5094 4.5094 4.5094 5.1899 5.1899 5.1899 5.1899 6.1869 6.1869 6.1869 6.1869 6.8781 6.8781 6.8781 6.8781 7.1187 7.1187 7.1187 7.1187 9.0115 9.0115 9.0115 9.0115 k = 0.0000 0.3677 0.2201 ( 10872 PWs) bands (ev): -64.7791 -64.7791 -64.7791 -64.7791 -36.8411 -36.8411 -36.8411 -36.8411 -35.8931 -35.8931 -35.8931 -35.8931 -35.8263 -35.8263 -35.8263 -35.8263 -8.6652 -8.6652 -8.6652 -8.6652 -6.3909 -6.3909 -6.3909 -6.3909 1.3207 1.3207 1.3207 1.3207 2.5230 2.5230 2.5230 2.5230 2.7444 2.7444 2.7444 2.7444 3.2397 3.2397 3.2397 3.2397 4.5096 4.5096 4.5096 4.5096 5.1930 5.1930 5.1930 5.1930 6.1866 6.1866 6.1866 6.1866 6.8780 6.8780 6.8780 6.8780 7.1174 7.1174 7.1174 7.1174 9.0106 9.0106 9.0106 9.0106 k = 0.5000-0.0000 0.2201 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2896 -8.2896 -8.2896 -8.2896 -6.1312 -6.1312 -6.1312 -6.1312 1.4882 1.4882 1.4882 1.4882 1.9846 1.9846 1.9846 1.9846 2.8322 2.8322 2.8322 2.8322 3.2020 3.2020 3.2020 3.2020 4.1515 4.1515 4.1515 4.1515 4.2723 4.2723 4.2723 4.2723 6.5138 6.5138 6.5138 6.5138 6.8046 6.8046 6.8046 6.8046 6.8602 6.8602 6.8602 6.8602 7.6603 7.6603 7.6603 7.6603 k = 0.5000-0.0000 0.2091 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2896 -8.2896 -8.2896 -8.2896 -6.1311 -6.1311 -6.1311 -6.1311 1.4885 1.4885 1.4885 1.4885 1.9836 1.9836 1.9836 1.9836 2.8321 2.8321 2.8321 2.8321 3.2026 3.2026 3.2026 3.2026 4.1517 4.1517 4.1517 4.1517 4.2726 4.2726 4.2726 4.2726 6.5135 6.5135 6.5135 6.5135 6.8046 6.8046 6.8046 6.8046 6.8602 6.8602 6.8602 6.8602 7.6601 7.6601 7.6601 7.6601 k = 0.5000-0.0000 0.1981 ( 10850 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2896 -8.2896 -8.2896 -8.2896 -6.1311 -6.1311 -6.1311 -6.1311 1.4895 1.4895 1.4895 1.4895 1.9805 1.9805 1.9805 1.9805 2.8320 2.8320 2.8320 2.8320 3.2046 3.2046 3.2046 3.2046 4.1526 4.1526 4.1526 4.1526 4.2735 4.2735 4.2735 4.2735 6.5122 6.5122 6.5122 6.5122 6.8047 6.8047 6.8047 6.8047 6.8602 6.8602 6.8602 6.8602 7.6601 7.6601 7.6601 7.6601 k = 0.5000-0.0000 0.1871 ( 10858 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8239 -35.8239 -35.8239 -35.8239 -8.2896 -8.2896 -8.2896 -8.2896 -6.1310 -6.1310 -6.1310 -6.1310 1.4911 1.4911 1.4911 1.4911 1.9755 1.9755 1.9755 1.9755 2.8317 2.8317 2.8317 2.8317 3.2075 3.2075 3.2075 3.2075 4.1537 4.1537 4.1537 4.1537 4.2750 4.2750 4.2750 4.2750 6.5101 6.5101 6.5101 6.5101 6.8044 6.8044 6.8044 6.8044 6.8599 6.8599 6.8599 6.8599 7.6592 7.6592 7.6592 7.6592 k = 0.5000-0.0000 0.1761 ( 10856 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2896 -8.2896 -8.2896 -8.2896 -6.1310 -6.1310 -6.1310 -6.1310 1.4934 1.4934 1.4934 1.4934 1.9687 1.9687 1.9687 1.9687 2.8315 2.8315 2.8315 2.8315 3.2114 3.2114 3.2114 3.2114 4.1553 4.1553 4.1553 4.1553 4.2771 4.2771 4.2771 4.2771 6.5085 6.5085 6.5085 6.5085 6.8050 6.8050 6.8050 6.8050 6.8603 6.8603 6.8603 6.8603 7.6588 7.6588 7.6588 7.6588 k = 0.5000-0.0000 0.1651 ( 10854 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2897 -8.2897 -8.2897 -8.2897 -6.1308 -6.1308 -6.1308 -6.1308 1.4963 1.4963 1.4963 1.4963 1.9602 1.9602 1.9602 1.9602 2.8313 2.8313 2.8313 2.8313 3.2163 3.2163 3.2163 3.2163 4.1573 4.1573 4.1573 4.1573 4.2797 4.2797 4.2797 4.2797 6.5063 6.5063 6.5063 6.5063 6.8054 6.8054 6.8054 6.8054 6.8607 6.8607 6.8607 6.8607 7.6576 7.6576 7.6576 7.6576 k = 0.5000-0.0000 0.1541 ( 10850 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2897 -8.2897 -8.2897 -8.2897 -6.1307 -6.1307 -6.1307 -6.1307 1.4998 1.4998 1.4998 1.4998 1.9502 1.9502 1.9502 1.9502 2.8311 2.8311 2.8311 2.8311 3.2218 3.2218 3.2218 3.2218 4.1595 4.1595 4.1595 4.1595 4.2828 4.2828 4.2828 4.2828 6.5044 6.5044 6.5044 6.5044 6.8061 6.8061 6.8061 6.8061 6.8614 6.8614 6.8614 6.8614 7.6568 7.6568 7.6568 7.6568 k = 0.5000-0.0000 0.1431 ( 10852 PWs) bands (ev): -64.7781 -64.7781 -64.7781 -64.7781 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8239 -35.8239 -35.8239 -35.8239 -8.2897 -8.2897 -8.2897 -8.2897 -6.1305 -6.1305 -6.1305 -6.1305 1.5039 1.5039 1.5039 1.5039 1.9389 1.9389 1.9389 1.9389 2.8308 2.8308 2.8308 2.8308 3.2280 3.2280 3.2280 3.2280 4.1620 4.1620 4.1620 4.1620 4.2863 4.2863 4.2863 4.2863 6.5014 6.5014 6.5014 6.5014 6.8069 6.8069 6.8069 6.8069 6.8621 6.8621 6.8621 6.8621 7.6539 7.6539 7.6539 7.6539 k = 0.5000-0.0000 0.1321 ( 10840 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8238 -35.8238 -35.8238 -35.8238 -8.2898 -8.2898 -8.2898 -8.2898 -6.1304 -6.1304 -6.1304 -6.1304 1.5086 1.5086 1.5086 1.5086 1.9266 1.9266 1.9266 1.9266 2.8305 2.8305 2.8305 2.8305 3.2346 3.2346 3.2346 3.2346 4.1647 4.1647 4.1647 4.1647 4.2903 4.2903 4.2903 4.2903 6.4993 6.4993 6.4993 6.4993 6.8083 6.8083 6.8083 6.8083 6.8635 6.8635 6.8635 6.8635 7.6532 7.6532 7.6532 7.6532 k = 0.5000-0.0000 0.1210 ( 10838 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2898 -8.2898 -8.2898 -8.2898 -6.1302 -6.1302 -6.1302 -6.1302 1.5137 1.5137 1.5137 1.5137 1.9135 1.9135 1.9135 1.9135 2.8301 2.8301 2.8301 2.8301 3.2413 3.2413 3.2413 3.2413 4.1674 4.1674 4.1674 4.1674 4.2944 4.2944 4.2944 4.2944 6.4971 6.4971 6.4971 6.4971 6.8089 6.8089 6.8089 6.8089 6.8642 6.8642 6.8642 6.8642 7.6513 7.6513 7.6513 7.6513 k = 0.5000-0.0000 0.1100 ( 10842 PWs) bands (ev): -64.7777 -64.7777 -64.7777 -64.7777 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2899 -8.2899 -8.2899 -8.2899 -6.1300 -6.1300 -6.1300 -6.1300 1.5194 1.5194 1.5194 1.5194 1.8998 1.8998 1.8998 1.8998 2.8296 2.8296 2.8296 2.8296 3.2478 3.2478 3.2478 3.2478 4.1701 4.1701 4.1701 4.1701 4.2987 4.2987 4.2987 4.2987 6.4939 6.4939 6.4939 6.4939 6.8095 6.8095 6.8095 6.8095 6.8649 6.8649 6.8649 6.8649 7.6498 7.6498 7.6498 7.6498 k = 0.5000-0.0000 0.0990 ( 10830 PWs) bands (ev): -64.7772 -64.7772 -64.7772 -64.7772 -36.8469 -36.8469 -36.8469 -36.8469 -35.9048 -35.9048 -35.9048 -35.9048 -35.8236 -35.8236 -35.8236 -35.8236 -8.2899 -8.2899 -8.2899 -8.2899 -6.1298 -6.1298 -6.1298 -6.1298 1.5254 1.5254 1.5254 1.5254 1.8860 1.8860 1.8860 1.8860 2.8292 2.8292 2.8292 2.8292 3.2545 3.2545 3.2545 3.2545 4.1729 4.1729 4.1729 4.1729 4.3032 4.3032 4.3032 4.3032 6.4917 6.4917 6.4917 6.4917 6.8109 6.8109 6.8109 6.8109 6.8665 6.8665 6.8665 6.8665 7.6488 7.6488 7.6488 7.6488 k = 0.5000-0.0000 0.0880 ( 10838 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2900 -8.2900 -8.2900 -8.2900 -6.1297 -6.1297 -6.1297 -6.1297 1.5316 1.5316 1.5316 1.5316 1.8721 1.8721 1.8721 1.8721 2.8288 2.8288 2.8288 2.8288 3.2607 3.2607 3.2607 3.2607 4.1755 4.1755 4.1755 4.1755 4.3075 4.3075 4.3075 4.3075 6.4878 6.4878 6.4878 6.4878 6.8107 6.8107 6.8107 6.8107 6.8665 6.8665 6.8665 6.8665 7.6469 7.6469 7.6469 7.6469 k = 0.5000-0.0000 0.0770 ( 10830 PWs) bands (ev): -64.7772 -64.7772 -64.7772 -64.7772 -36.8469 -36.8469 -36.8469 -36.8469 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2900 -8.2900 -8.2900 -8.2900 -6.1295 -6.1295 -6.1295 -6.1295 1.5380 1.5380 1.5380 1.5380 1.8587 1.8587 1.8587 1.8587 2.8284 2.8284 2.8284 2.8284 3.2666 3.2666 3.2666 3.2666 4.1781 4.1781 4.1781 4.1781 4.3118 4.3118 4.3118 4.3118 6.4851 6.4851 6.4851 6.4851 6.8123 6.8123 6.8123 6.8123 6.8681 6.8681 6.8681 6.8681 7.6458 7.6458 7.6458 7.6458 k = 0.5000-0.0000 0.0660 ( 10842 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2901 -8.2901 -8.2901 -8.2901 -6.1294 -6.1294 -6.1294 -6.1294 1.5442 1.5442 1.5442 1.5442 1.8458 1.8458 1.8458 1.8458 2.8280 2.8280 2.8280 2.8280 3.2717 3.2717 3.2717 3.2717 4.1803 4.1803 4.1803 4.1803 4.3157 4.3157 4.3157 4.3157 6.4812 6.4812 6.4812 6.4812 6.8119 6.8119 6.8119 6.8119 6.8679 6.8679 6.8679 6.8679 7.6438 7.6438 7.6438 7.6438 k = 0.5000-0.0000 0.0550 ( 10850 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8470 -36.8470 -36.8470 -36.8470 -35.9049 -35.9049 -35.9049 -35.9049 -35.8238 -35.8238 -35.8238 -35.8238 -8.2901 -8.2901 -8.2901 -8.2901 -6.1293 -6.1293 -6.1293 -6.1293 1.5503 1.5503 1.5503 1.5503 1.8340 1.8340 1.8340 1.8340 2.8278 2.8278 2.8278 2.8278 3.2762 3.2762 3.2762 3.2762 4.1822 4.1822 4.1822 4.1822 4.3192 4.3192 4.3192 4.3192 6.4791 6.4791 6.4791 6.4791 6.8114 6.8114 6.8114 6.8114 6.8680 6.8680 6.8680 6.8680 7.6414 7.6414 7.6414 7.6414 k = 0.5000-0.0000 0.0440 ( 10816 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8468 -36.8468 -36.8468 -36.8468 -35.9047 -35.9047 -35.9047 -35.9047 -35.8236 -35.8236 -35.8236 -35.8236 -8.2902 -8.2902 -8.2902 -8.2902 -6.1291 -6.1291 -6.1291 -6.1291 1.5559 1.5559 1.5559 1.5559 1.8237 1.8237 1.8237 1.8237 2.8279 2.8279 2.8279 2.8279 3.2806 3.2806 3.2806 3.2806 4.1841 4.1841 4.1841 4.1841 4.3224 4.3224 4.3224 4.3224 6.4794 6.4794 6.4794 6.4794 6.8134 6.8134 6.8134 6.8134 6.8704 6.8704 6.8704 6.8704 7.6428 7.6428 7.6428 7.6428 k = 0.5000-0.0000 0.0330 ( 10828 PWs) bands (ev): -64.7771 -64.7771 -64.7771 -64.7771 -36.8469 -36.8469 -36.8469 -36.8469 -35.9048 -35.9048 -35.9048 -35.9048 -35.8236 -35.8236 -35.8236 -35.8236 -8.2902 -8.2902 -8.2902 -8.2902 -6.1290 -6.1290 -6.1290 -6.1290 1.5606 1.5606 1.5606 1.5606 1.8150 1.8150 1.8150 1.8150 2.8275 2.8275 2.8275 2.8275 3.2833 3.2833 3.2833 3.2833 4.1853 4.1853 4.1853 4.1853 4.3249 4.3249 4.3249 4.3249 6.4781 6.4781 6.4781 6.4781 6.8135 6.8135 6.8135 6.8135 6.8703 6.8703 6.8703 6.8703 7.6402 7.6402 7.6402 7.6402 k = 0.5000-0.0000 0.0220 ( 10840 PWs) bands (ev): -64.7775 -64.7775 -64.7775 -64.7775 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2902 -8.2902 -8.2902 -8.2902 -6.1290 -6.1290 -6.1290 -6.1290 1.5643 1.5643 1.5643 1.5643 1.8084 1.8084 1.8084 1.8084 2.8272 2.8272 2.8272 2.8272 3.2854 3.2854 3.2854 3.2854 4.1862 4.1862 4.1862 4.1862 4.3267 4.3267 4.3267 4.3267 6.4760 6.4760 6.4760 6.4760 6.8128 6.8128 6.8128 6.8128 6.8702 6.8702 6.8702 6.8702 7.6380 7.6380 7.6380 7.6380 k = 0.5000-0.0000 0.0110 ( 10844 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2902 -8.2902 -8.2902 -8.2902 -6.1289 -6.1289 -6.1289 -6.1289 1.5667 1.5667 1.5667 1.5667 1.8043 1.8043 1.8043 1.8043 2.8272 2.8272 2.8272 2.8272 3.2867 3.2867 3.2867 3.2867 4.1868 4.1868 4.1868 4.1868 4.3278 4.3278 4.3278 4.3278 6.4755 6.4755 6.4755 6.4755 6.8128 6.8128 6.8128 6.8128 6.8700 6.8700 6.8700 6.8700 7.6369 7.6369 7.6369 7.6369 k = 0.5000-0.0000-0.0000 ( 10838 PWs) bands (ev): -64.7774 -64.7774 -64.7774 -64.7774 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8237 -35.8237 -35.8237 -35.8237 -8.2902 -8.2902 -8.2902 -8.2902 -6.1289 -6.1289 -6.1289 -6.1289 1.5675 1.5675 1.5675 1.5675 1.8030 1.8030 1.8030 1.8030 2.8271 2.8271 2.8271 2.8271 3.2872 3.2872 3.2872 3.2872 4.1870 4.1870 4.1870 4.1870 4.3282 4.3282 4.3282 4.3282 6.4752 6.4752 6.4752 6.4752 6.8134 6.8134 6.8134 6.8134 6.8705 6.8705 6.8705 6.8705 7.6374 7.6374 7.6374 7.6374 k = 0.5000 0.3677-0.0000 ( 10864 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9052 -35.9052 -35.8243 -35.8243 -35.8243 -35.8243 -8.2708 -8.2708 -8.2708 -8.2708 -5.8990 -5.8990 -5.8990 -5.8990 0.5785 0.5785 0.5785 0.5785 2.0601 2.0601 2.0601 2.0601 2.7446 2.7446 2.7446 2.7446 3.1674 3.1674 3.1674 3.1674 3.4835 3.4835 3.4835 3.4835 4.1915 4.1915 4.1915 4.1915 6.6255 6.6255 6.6255 6.6255 6.8932 6.8932 6.8932 6.8932 7.0479 7.0479 7.0479 7.0479 9.0154 9.0154 9.0154 9.0154 k = 0.5000 0.3677 0.0110 ( 10860 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8473 -36.8473 -36.8473 -36.8473 -35.9051 -35.9051 -35.9051 -35.9051 -35.8243 -35.8243 -35.8243 -35.8243 -8.2708 -8.2708 -8.2708 -8.2708 -5.8991 -5.8991 -5.8991 -5.8991 0.5788 0.5788 0.5788 0.5788 2.0591 2.0591 2.0591 2.0591 2.7453 2.7453 2.7453 2.7453 3.1675 3.1675 3.1675 3.1675 3.4827 3.4827 3.4827 3.4827 4.1928 4.1928 4.1928 4.1928 6.6259 6.6259 6.6259 6.6259 6.8937 6.8937 6.8937 6.8937 7.0475 7.0475 7.0475 7.0475 9.0149 9.0149 9.0149 9.0149 k = 0.5000 0.3677 0.0220 ( 10860 PWs) bands (ev): -64.7782 -64.7782 -64.7782 -64.7782 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9052 -35.9052 -35.8242 -35.8242 -35.8242 -35.8242 -8.2708 -8.2708 -8.2708 -8.2708 -5.8991 -5.8991 -5.8991 -5.8991 0.5797 0.5797 0.5797 0.5797 2.0561 2.0561 2.0561 2.0561 2.7475 2.7475 2.7475 2.7475 3.1675 3.1675 3.1675 3.1675 3.4800 3.4800 3.4800 3.4800 4.1966 4.1966 4.1966 4.1966 6.6261 6.6261 6.6261 6.6261 6.8940 6.8940 6.8940 6.8940 7.0468 7.0468 7.0468 7.0468 9.0107 9.0107 9.0107 9.0107 k = 0.5000 0.3677 0.0330 ( 10856 PWs) bands (ev): -64.7780 -64.7780 -64.7780 -64.7780 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9052 -35.9052 -35.8242 -35.8242 -35.8242 -35.8242 -8.2708 -8.2708 -8.2708 -8.2708 -5.8991 -5.8991 -5.8991 -5.8991 0.5812 0.5812 0.5812 0.5812 2.0513 2.0513 2.0513 2.0513 2.7512 2.7512 2.7512 2.7512 3.1677 3.1677 3.1677 3.1677 3.4759 3.4759 3.4759 3.4759 4.2028 4.2028 4.2028 4.2028 6.6261 6.6261 6.6261 6.6261 6.8933 6.8933 6.8933 6.8933 7.0459 7.0459 7.0459 7.0459 9.0061 9.0061 9.0061 9.0061 k = 0.5000 0.3677 0.0440 ( 10852 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8473 -36.8473 -36.8473 -36.8473 -35.9051 -35.9051 -35.9051 -35.9051 -35.8242 -35.8242 -35.8242 -35.8242 -8.2708 -8.2708 -8.2708 -8.2708 -5.8992 -5.8992 -5.8992 -5.8992 0.5832 0.5832 0.5832 0.5832 2.0447 2.0447 2.0447 2.0447 2.7563 2.7563 2.7563 2.7563 3.1679 3.1679 3.1679 3.1679 3.4704 3.4704 3.4704 3.4704 4.2112 4.2112 4.2112 4.2112 6.6252 6.6252 6.6252 6.6252 6.8924 6.8924 6.8924 6.8924 7.0445 7.0445 7.0445 7.0445 9.0007 9.0007 9.0007 9.0007 k = 0.5000 0.3677 0.0550 ( 10864 PWs) bands (ev): -64.7783 -64.7783 -64.7783 -64.7783 -36.8473 -36.8473 -36.8473 -36.8473 -35.9052 -35.9052 -35.9052 -35.9052 -35.8242 -35.8242 -35.8242 -35.8242 -8.2708 -8.2708 -8.2708 -8.2708 -5.8993 -5.8993 -5.8993 -5.8993 0.5857 0.5857 0.5857 0.5857 2.0366 2.0366 2.0366 2.0366 2.7626 2.7626 2.7626 2.7626 3.1680 3.1680 3.1680 3.1680 3.4631 3.4631 3.4631 3.4631 4.2216 4.2216 4.2216 4.2216 6.6228 6.6228 6.6228 6.6228 6.8906 6.8906 6.8906 6.8906 7.0418 7.0418 7.0418 7.0418 8.9918 8.9918 8.9918 8.9918 k = 0.5000 0.3677 0.0660 ( 10848 PWs) bands (ev): -64.7778 -64.7778 -64.7778 -64.7778 -36.8473 -36.8473 -36.8473 -36.8473 -35.9051 -35.9051 -35.9051 -35.9051 -35.8241 -35.8241 -35.8241 -35.8241 -8.2707 -8.2707 -8.2707 -8.2707 -5.8994 -5.8994 -5.8994 -5.8994 0.5887 0.5887 0.5887 0.5887 2.0271 2.0271 2.0271 2.0271 2.7704 2.7704 2.7704 2.7704 3.1686 3.1686 3.1686 3.1686 3.4547 3.4547 3.4547 3.4547 4.2340 4.2340 4.2340 4.2340 6.6220 6.6220 6.6220 6.6220 6.8906 6.8906 6.8906 6.8906 7.0405 7.0405 7.0405 7.0405 8.9841 8.9841 8.9841 8.9841 k = 0.5000 0.3677 0.0770 ( 10844 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8472 -36.8472 -36.8472 -36.8472 -35.9051 -35.9051 -35.9051 -35.9051 -35.8241 -35.8241 -35.8241 -35.8241 -8.2707 -8.2707 -8.2707 -8.2707 -5.8995 -5.8995 -5.8995 -5.8995 0.5921 0.5921 0.5921 0.5921 2.0165 2.0165 2.0165 2.0165 2.7792 2.7792 2.7792 2.7792 3.1689 3.1689 3.1689 3.1689 3.4450 3.4450 3.4450 3.4450 4.2477 4.2477 4.2477 4.2477 6.6204 6.6204 6.6204 6.6204 6.8892 6.8892 6.8892 6.8892 7.0378 7.0378 7.0378 7.0378 8.9750 8.9750 8.9750 8.9750 k = 0.5000 0.3677 0.0880 ( 10852 PWs) bands (ev): -64.7779 -64.7779 -64.7779 -64.7779 -36.8473 -36.8473 -36.8473 -36.8473 -35.9051 -35.9051 -35.9051 -35.9051 -35.8242 -35.8242 -35.8242 -35.8242 -8.2707 -8.2707 -8.2707 -8.2707 -5.8996 -5.8996 -5.8996 -5.8996 0.5958 0.5958 0.5958 0.5958 2.0051 2.0051 2.0051 2.0051 2.7891 2.7891 2.7891 2.7891 3.1691 3.1691 3.1691 3.1691 3.4340 3.4340 3.4340 3.4340 4.2625 4.2625 4.2625 4.2625 6.6174 6.6174 6.6174 6.6174 6.8872 6.8872 6.8872 6.8872 7.0341 7.0341 7.0341 7.0341 8.9645 8.9645 8.9645 8.9645 k = 0.5000 0.3677 0.0990 ( 10844 PWs) bands (ev): -64.7776 -64.7776 -64.7776 -64.7776 -36.8472 -36.8472 -36.8472 -36.8472 -35.9050 -35.9050 -35.9050 -35.9050 -35.8242 -35.8242 -35.8242 -35.8242 -8.2706 -8.2706 -8.2706 -8.2706 -5.8997 -5.8997 -5.8997 -5.8997 0.5997 0.5997 0.5997 0.5997 1.9931 1.9931 1.9931 1.9931 2.8000 2.8000 2.8000 2.8000 3.1697 3.1697 3.1697 3.1697 3.4223 3.4223 3.4223 3.4223 4.2781 4.2781 4.2781 4.2781 6.6156 6.6156 6.6156 6.6156 6.8860 6.8860 6.8860 6.8860 7.0306 7.0306 7.0306 7.0306 8.9551 8.9551 8.9551 8.9551 k = 0.5000 0.3677 0.1100 ( 10828 PWs) bands (ev): -64.7770 -64.7770 -64.7770 -64.7770 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8240 -35.8240 -35.8240 -35.8240 -8.2706 -8.2706 -8.2706 -8.2706 -5.8998 -5.8998 -5.8998 -5.8998 0.6037 0.6037 0.6037 0.6037 1.9809 1.9809 1.9809 1.9809 2.8117 2.8117 2.8117 2.8117 3.1705 3.1705 3.1705 3.1705 3.4098 3.4098 3.4098 3.4098 4.2941 4.2941 4.2941 4.2941 6.6147 6.6147 6.6147 6.6147 6.8855 6.8855 6.8855 6.8855 7.0273 7.0273 7.0273 7.0273 8.9457 8.9457 8.9457 8.9457 k = 0.5000 0.3677 0.1210 ( 10832 PWs) bands (ev): -64.7772 -64.7772 -64.7772 -64.7772 -36.8472 -36.8472 -36.8472 -36.8472 -35.9050 -35.9050 -35.9050 -35.9050 -35.8241 -35.8241 -35.8241 -35.8241 -8.2706 -8.2706 -8.2706 -8.2706 -5.8999 -5.8999 -5.8999 -5.8999 0.6078 0.6078 0.6078 0.6078 1.9688 1.9688 1.9688 1.9688 2.8238 2.8238 2.8238 2.8238 3.1707 3.1707 3.1707 3.1707 3.3965 3.3965 3.3965 3.3965 4.3100 4.3100 4.3100 4.3100 6.6120 6.6120 6.6120 6.6120 6.8825 6.8825 6.8825 6.8825 7.0241 7.0241 7.0241 7.0241 8.9355 8.9355 8.9355 8.9355 k = 0.5000 0.3677 0.1321 ( 10828 PWs) bands (ev): -64.7770 -64.7770 -64.7770 -64.7770 -36.8471 -36.8471 -36.8471 -36.8471 -35.9049 -35.9049 -35.9049 -35.9049 -35.8241 -35.8241 -35.8241 -35.8241 -8.2706 -8.2706 -8.2706 -8.2706 -5.9000 -5.9000 -5.9000 -5.9000 0.6119 0.6119 0.6119 0.6119 1.9569 1.9569 1.9569 1.9569 2.8362 2.8362 2.8362 2.8362 3.1712 3.1712 3.1712 3.1712 3.3831 3.3831 3.3831 3.3831 4.3256 4.3256 4.3256 4.3256 6.6098 6.6098 6.6098 6.6098 6.8802 6.8802 6.8802 6.8802 7.0212 7.0212 7.0212 7.0212 8.9264 8.9264 8.9264 8.9264 k = 0.5000 0.3677 0.1431 ( 10820 PWs) bands (ev): -64.7767 -64.7767 -64.7767 -64.7767 -36.8471 -36.8471 -36.8471 -36.8471 -35.9048 -35.9048 -35.9048 -35.9048 -35.8241 -35.8241 -35.8241 -35.8241 -8.2705 -8.2705 -8.2705 -8.2705 -5.9001 -5.9001 -5.9001 -5.9001 0.6158 0.6158 0.6158 0.6158 1.9458 1.9458 1.9458 1.9458 2.8487 2.8487 2.8487 2.8487 3.1718 3.1718 3.1718 3.1718 3.3697 3.3697 3.3697 3.3697 4.3404 4.3404 4.3404 4.3404 6.6075 6.6075 6.6075 6.6075 6.8784 6.8784 6.8784 6.8784 7.0189 7.0189 7.0189 7.0189 8.9182 8.9182 8.9182 8.9182 k = 0.5000 0.3677 0.1541 ( 10816 PWs) bands (ev): -64.7766 -64.7766 -64.7766 -64.7766 -36.8471 -36.8471 -36.8471 -36.8471 -35.9048 -35.9048 -35.9048 -35.9048 -35.8240 -35.8240 -35.8240 -35.8240 -8.2705 -8.2705 -8.2705 -8.2705 -5.9002 -5.9002 -5.9002 -5.9002 0.6194 0.6194 0.6194 0.6194 1.9355 1.9355 1.9355 1.9355 2.8607 2.8607 2.8607 2.8607 3.1723 3.1723 3.1723 3.1723 3.3566 3.3566 3.3566 3.3566 4.3540 4.3540 4.3540 4.3540 6.6068 6.6068 6.6068 6.6068 6.8766 6.8766 6.8766 6.8766 7.0164 7.0164 7.0164 7.0164 8.9093 8.9093 8.9093 8.9093 k = 0.5000 0.3677 0.1651 ( 10816 PWs) bands (ev): -64.7766 -64.7766 -64.7766 -64.7766 -36.8471 -36.8471 -36.8471 -36.8471 -35.9048 -35.9048 -35.9048 -35.9048 -35.8240 -35.8240 -35.8240 -35.8240 -8.2705 -8.2705 -8.2705 -8.2705 -5.9003 -5.9003 -5.9003 -5.9003 0.6227 0.6227 0.6227 0.6227 1.9263 1.9263 1.9263 1.9263 2.8720 2.8720 2.8720 2.8720 3.1726 3.1726 3.1726 3.1726 3.3442 3.3442 3.3442 3.3442 4.3661 4.3661 4.3661 4.3661 6.6055 6.6055 6.6055 6.6055 6.8739 6.8739 6.8739 6.8739 7.0139 7.0139 7.0139 7.0139 8.9021 8.9021 8.9021 8.9021 k = 0.5000 0.3677 0.1761 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8239 -35.8239 -8.2705 -8.2705 -8.2705 -8.2705 -5.9004 -5.9004 -5.9004 -5.9004 0.6255 0.6255 0.6255 0.6255 1.9186 1.9186 1.9186 1.9186 2.8823 2.8823 2.8823 2.8823 3.1735 3.1735 3.1735 3.1735 3.3335 3.3335 3.3335 3.3335 4.3765 4.3765 4.3765 4.3765 6.6052 6.6052 6.6052 6.6052 6.8727 6.8727 6.8727 6.8727 7.0121 7.0121 7.0121 7.0121 8.8977 8.8977 8.8977 8.8977 k = 0.5000 0.3677 0.1871 ( 10812 PWs) bands (ev): -64.7764 -64.7764 -64.7764 -64.7764 -36.8471 -36.8471 -36.8471 -36.8471 -35.9048 -35.9048 -35.9048 -35.9048 -35.8240 -35.8240 -35.8240 -35.8240 -8.2704 -8.2704 -8.2704 -8.2704 -5.9004 -5.9004 -5.9004 -5.9004 0.6277 0.6277 0.6277 0.6277 1.9122 1.9122 1.9122 1.9122 2.8908 2.8908 2.8908 2.8908 3.1737 3.1737 3.1737 3.1737 3.3238 3.3238 3.3238 3.3238 4.3848 4.3848 4.3848 4.3848 6.6038 6.6038 6.6038 6.6038 6.8704 6.8704 6.8704 6.8704 7.0093 7.0093 7.0093 7.0093 8.8911 8.8911 8.8911 8.8911 k = 0.5000 0.3677 0.1981 ( 10792 PWs) bands (ev): -64.7757 -64.7757 -64.7757 -64.7757 -36.8469 -36.8469 -36.8469 -36.8469 -35.9047 -35.9047 -35.9047 -35.9047 -35.8238 -35.8238 -35.8238 -35.8238 -8.2704 -8.2704 -8.2704 -8.2704 -5.9005 -5.9005 -5.9005 -5.9005 0.6295 0.6295 0.6295 0.6295 1.9077 1.9077 1.9077 1.9077 2.8973 2.8973 2.8973 2.8973 3.1741 3.1741 3.1741 3.1741 3.3171 3.3171 3.3171 3.3171 4.3909 4.3909 4.3909 4.3909 6.6045 6.6045 6.6045 6.6045 6.8708 6.8708 6.8708 6.8708 7.0100 7.0100 7.0100 7.0100 8.8891 8.8891 8.8891 8.8891 k = 0.5000 0.3677 0.2091 ( 10784 PWs) bands (ev): -64.7754 -64.7754 -64.7754 -64.7754 -36.8469 -36.8469 -36.8469 -36.8469 -35.9047 -35.9047 -35.9047 -35.9047 -35.8238 -35.8238 -35.8238 -35.8238 -8.2704 -8.2704 -8.2704 -8.2704 -5.9005 -5.9005 -5.9005 -5.9005 0.6305 0.6305 0.6305 0.6305 1.9049 1.9049 1.9049 1.9049 2.9014 2.9014 2.9014 2.9014 3.1744 3.1744 3.1744 3.1744 3.3129 3.3129 3.3129 3.3129 4.3946 4.3946 4.3946 4.3946 6.6049 6.6049 6.6049 6.6049 6.8704 6.8704 6.8704 6.8704 7.0096 7.0096 7.0096 7.0096 8.8877 8.8877 8.8877 8.8877 k = 0.5000 0.3677 0.2201 ( 10800 PWs) bands (ev): -64.7760 -64.7760 -64.7760 -64.7760 -36.8470 -36.8470 -36.8470 -36.8470 -35.9048 -35.9048 -35.9048 -35.9048 -35.8239 -35.8239 -35.8239 -35.8239 -8.2704 -8.2704 -8.2704 -8.2704 -5.9005 -5.9005 -5.9005 -5.9005 0.6308 0.6308 0.6308 0.6308 1.9039 1.9039 1.9039 1.9039 2.9027 2.9027 2.9027 2.9027 3.1742 3.1742 3.1742 3.1742 3.3110 3.3110 3.3110 3.3110 4.3959 4.3959 4.3959 4.3959 6.6037 6.6037 6.6037 6.6037 6.8692 6.8692 6.8692 6.8692 7.0087 7.0087 7.0087 7.0087 8.8849 8.8849 8.8849 8.8849 Writing output data file CrSBr.save init_run : 0.29s CPU 0.60s WALL ( 1 calls) electrons : 368.08s CPU 374.41s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.14s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 368.06s CPU 374.39s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.24s WALL ( 404 calls) cegterg : 334.69s CPU 337.81s WALL ( 445 calls) Called by sum_band: Called by *egterg: h_psi : 217.74s CPU 220.27s WALL ( 7426 calls) s_psi : 10.43s CPU 10.60s WALL ( 7426 calls) g_psi : 0.85s CPU 0.89s WALL ( 6577 calls) cdiaghg : 73.48s CPU 74.28s WALL ( 6981 calls) cegterg:over : 21.42s CPU 21.22s WALL ( 6577 calls) cegterg:upda : 19.35s CPU 19.58s WALL ( 6577 calls) cegterg:last : 10.61s CPU 10.75s WALL ( 1355 calls) cdiaghg:chol : 4.14s CPU 4.32s WALL ( 6981 calls) cdiaghg:inve : 2.94s CPU 3.04s WALL ( 6981 calls) cdiaghg:para : 5.25s CPU 5.17s WALL ( 13962 calls) Called by h_psi: h_psi:vloc : 188.90s CPU 191.14s WALL ( 7426 calls) h_psi:vnl : 27.95s CPU 28.28s WALL ( 7426 calls) add_vuspsi : 14.41s CPU 14.53s WALL ( 7426 calls) General routines calbec : 13.50s CPU 13.72s WALL ( 7426 calls) fft : 0.01s CPU 0.00s WALL ( 15 calls) fftw : 179.34s CPU 181.45s WALL ( 1119656 calls) davcio : 0.43s CPU 0.79s WALL ( 808 calls) Parallel routines fft_scatter : 60.54s CPU 61.40s WALL ( 1119671 calls) PWSCF : 6m51.77s CPU 7m46.73s WALL This run was terminated on: 16: 9: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=