Program PWSCF v.5.4.0 starts on 22Mar2017 at 5:27: 6 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./CuI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 15 11 3 527 352 55 Max 16 12 4 532 370 64 Sum 1093 853 249 38049 26067 4233 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 7.6022 a.u. unit-cell volume = 617.1199 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.602179 celldm(2)= 1.000000 celldm(3)= 1.404609 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.404609 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.711942 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 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 1247 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. # 2 for Cu read from file: /users/gautes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential I 7.00 126.90450 I( 1.00) Cu 11.00 63.54600 Cu( 1.00) 16 Sym. Ops., with inversion, found (12 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 ) ( 0.5000000 ) ( 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 ) ( -0.5000000 ) ( 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 = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cart. axis [1,-1,0] cryst. s( 6) = ( 0 -1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) f =( -0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 9 inversion cryst. s( 9) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 9) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s(10) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(12) = ( -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 = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) f =( -0.5000000 ) ( 1 0 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s(14) = ( 0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( -0.5000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) f =( 0.0000000 ) ( -1.0000000 0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_4h(4/mmm) there are 14 classes and 4 irreducible representations the character table: E -E 2C4 -2C4 C2 2C2' 2C2'' i -i 2S4 -2S4 s_h -C2 -2C2' -2C2' -s_h G_6+ 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 2.00 -2.00 1.41 -1.41 0.00 G_7+ 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 2.00 -2.00 -1.41 1.41 0.00 G_6- 2.00 -2.00 1.41 -1.41 0.00 0.00 0.00 -2.00 2.00 -1.41 1.41 0.00 G_7- 2.00 -2.00 -1.41 1.41 0.00 0.00 0.00 -2.00 2.00 1.41 -1.41 0.00 2s_v 2s_d -2s_v -2s_d G_6+ 0.00 0.00 G_7+ 0.00 0.00 G_6- 0.00 0.00 G_7- 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C4 7 8 90 deg rotation - cart. axis [0,0,-1] -2C4 -7 -8 90 deg rotation - cart. axis [0,0,-1] E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] 2C2'-2C2' 3 -3 4 -4 180 deg rotation - cart. axis [0,1,0] 2C2''-2C2' 5 -5 6 -6 180 deg rotation - cart. axis [1,1,0] i 9 inversion -i -9 inversion E 2S4 15 16 inv. 90 deg rotation - cart. axis [0,0,-1] -2S4 -15 -16 inv. 90 deg rotation - cart. axis [0,0,-1] E s_h -s_h 10 -10 inv. 180 deg rotation - cart. axis [0,0,1] 2s_v-2s_v 11 -11 12 -12 inv. 180 deg rotation - cart. axis [0,1,0] 2s_d-2s_d 13 -13 14 -14 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 365 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0027397 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0027397 k( 4) = ( 0.0000000 0.0375000 -0.0000000), wk = 0.0027397 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0027397 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027397 k( 7) = ( 0.0000000 0.0750000 -0.0000000), wk = 0.0027397 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027397 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027397 k( 10) = ( 0.0000000 0.1125000 -0.0000000), wk = 0.0027397 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027397 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027397 k( 13) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0027397 k( 14) = ( 0.0000000 0.1625000 -0.0000000), wk = 0.0027397 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027397 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027397 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027397 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0027397 k( 19) = ( 0.0000000 0.2250000 -0.0000000), wk = 0.0027397 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0027397 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027397 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027397 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027397 k( 24) = ( 0.0000000 0.2875000 -0.0000000), wk = 0.0027397 k( 25) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0027397 k( 26) = ( 0.0000000 0.3125000 -0.0000000), wk = 0.0027397 k( 27) = ( 0.0000000 0.3250000 -0.0000000), wk = 0.0027397 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027397 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027397 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0027397 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027397 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0027397 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027397 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027397 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0027397 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027397 k( 37) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0027397 k( 38) = ( 0.0000000 0.4625000 -0.0000000), wk = 0.0027397 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0027397 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0027397 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027397 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027397 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027397 k( 44) = ( 0.0250000 0.5000000 -0.0000000), wk = 0.0027397 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027397 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027397 k( 47) = ( 0.0625000 0.5000000 -0.0000000), wk = 0.0027397 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0027397 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027397 k( 50) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0027397 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0027397 k( 52) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0027397 k( 53) = ( 0.1375000 0.5000000 -0.0000000), wk = 0.0027397 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0027397 k( 55) = ( 0.1625000 0.5000000 -0.0000000), wk = 0.0027397 k( 56) = ( 0.1750000 0.5000000 -0.0000000), wk = 0.0027397 k( 57) = ( 0.1875000 0.5000000 -0.0000000), wk = 0.0027397 k( 58) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0027397 k( 59) = ( 0.2125000 0.5000000 -0.0000000), wk = 0.0027397 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0027397 k( 61) = ( 0.2375000 0.5000000 -0.0000000), wk = 0.0027397 k( 62) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0027397 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0027397 k( 64) = ( 0.2750000 0.5000000 -0.0000000), wk = 0.0027397 k( 65) = ( 0.2875000 0.5000000 -0.0000000), wk = 0.0027397 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027397 k( 67) = ( 0.3125000 0.5000000 -0.0000000), wk = 0.0027397 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027397 k( 69) = ( 0.3375000 0.5000000 -0.0000000), wk = 0.0027397 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027397 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027397 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027397 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027397 k( 74) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0027397 k( 75) = ( 0.4125000 0.5000000 -0.0000000), wk = 0.0027397 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027397 k( 77) = ( 0.4375000 0.5000000 -0.0000000), wk = 0.0027397 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027397 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027397 k( 80) = ( 0.4750000 0.5000000 -0.0000000), wk = 0.0027397 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027397 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0027397 k( 85) = ( 0.4821429 0.4821429 -0.0000000), wk = 0.0027397 k( 86) = ( 0.4732143 0.4732143 -0.0000000), wk = 0.0027397 k( 87) = ( 0.4642857 0.4642857 -0.0000000), wk = 0.0027397 k( 88) = ( 0.4553571 0.4553571 -0.0000000), wk = 0.0027397 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0027397 k( 90) = ( 0.4375000 0.4375000 -0.0000000), wk = 0.0027397 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0027397 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0027397 k( 93) = ( 0.4107143 0.4107143 -0.0000000), wk = 0.0027397 k( 94) = ( 0.4017857 0.4017857 -0.0000000), wk = 0.0027397 k( 95) = ( 0.3928571 0.3928571 -0.0000000), wk = 0.0027397 k( 96) = ( 0.3839286 0.3839286 -0.0000000), wk = 0.0027397 k( 97) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0027397 k( 98) = ( 0.3660714 0.3660714 -0.0000000), wk = 0.0027397 k( 99) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0027397 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0027397 k( 101) = ( 0.3392857 0.3392857 -0.0000000), wk = 0.0027397 k( 102) = ( 0.3303571 0.3303571 -0.0000000), wk = 0.0027397 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0027397 k( 104) = ( 0.3125000 0.3125000 -0.0000000), wk = 0.0027397 k( 105) = ( 0.3035714 0.3035714 -0.0000000), wk = 0.0027397 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0027397 k( 107) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0027397 k( 108) = ( 0.2767857 0.2767857 -0.0000000), wk = 0.0027397 k( 109) = ( 0.2678571 0.2678571 -0.0000000), wk = 0.0027397 k( 110) = ( 0.2589286 0.2589286 -0.0000000), wk = 0.0027397 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027397 k( 112) = ( 0.2410714 0.2410714 -0.0000000), wk = 0.0027397 k( 113) = ( 0.2321429 0.2321429 -0.0000000), wk = 0.0027397 k( 114) = ( 0.2232143 0.2232143 -0.0000000), wk = 0.0027397 k( 115) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0027397 k( 116) = ( 0.2053571 0.2053571 -0.0000000), wk = 0.0027397 k( 117) = ( 0.1964286 0.1964286 -0.0000000), wk = 0.0027397 k( 118) = ( 0.1875000 0.1875000 -0.0000000), wk = 0.0027397 k( 119) = ( 0.1785714 0.1785714 -0.0000000), wk = 0.0027397 k( 120) = ( 0.1696429 0.1696429 -0.0000000), wk = 0.0027397 k( 121) = ( 0.1607143 0.1607143 -0.0000000), wk = 0.0027397 k( 122) = ( 0.1517857 0.1517857 -0.0000000), wk = 0.0027397 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027397 k( 124) = ( 0.1339286 0.1339286 -0.0000000), wk = 0.0027397 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027397 k( 126) = ( 0.1160714 0.1160714 -0.0000000), wk = 0.0027397 k( 127) = ( 0.1071429 0.1071429 -0.0000000), wk = 0.0027397 k( 128) = ( 0.0982143 0.0982143 -0.0000000), wk = 0.0027397 k( 129) = ( 0.0892857 0.0892857 -0.0000000), wk = 0.0027397 k( 130) = ( 0.0803571 0.0803571 -0.0000000), wk = 0.0027397 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027397 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0027397 k( 133) = ( 0.0535714 0.0535714 -0.0000000), wk = 0.0027397 k( 134) = ( 0.0446429 0.0446429 -0.0000000), wk = 0.0027397 k( 135) = ( 0.0357143 0.0357143 -0.0000000), wk = 0.0027397 k( 136) = ( 0.0267857 0.0267857 -0.0000000), wk = 0.0027397 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0027397 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0027397 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 141) = ( 0.0000000 0.0000000 0.0127132), wk = 0.0027397 k( 142) = ( 0.0000000 0.0000000 0.0254265), wk = 0.0027397 k( 143) = ( 0.0000000 0.0000000 0.0381398), wk = 0.0027397 k( 144) = ( 0.0000000 0.0000000 0.0508530), wk = 0.0027397 k( 145) = ( 0.0000000 0.0000000 0.0635663), wk = 0.0027397 k( 146) = ( 0.0000000 0.0000000 0.0762795), wk = 0.0027397 k( 147) = ( 0.0000000 0.0000000 0.0889928), wk = 0.0027397 k( 148) = ( 0.0000000 0.0000000 0.1017060), wk = 0.0027397 k( 149) = ( 0.0000000 0.0000000 0.1144193), wk = 0.0027397 k( 150) = ( 0.0000000 0.0000000 0.1271325), wk = 0.0027397 k( 151) = ( 0.0000000 0.0000000 0.1398458), wk = 0.0027397 k( 152) = ( 0.0000000 0.0000000 0.1525590), wk = 0.0027397 k( 153) = ( 0.0000000 0.0000000 0.1652723), wk = 0.0027397 k( 154) = ( 0.0000000 0.0000000 0.1779855), wk = 0.0027397 k( 155) = ( 0.0000000 0.0000000 0.1906988), wk = 0.0027397 k( 156) = ( 0.0000000 0.0000000 0.2034120), wk = 0.0027397 k( 157) = ( 0.0000000 0.0000000 0.2161253), wk = 0.0027397 k( 158) = ( 0.0000000 0.0000000 0.2288385), wk = 0.0027397 k( 159) = ( 0.0000000 0.0000000 0.2415518), wk = 0.0027397 k( 160) = ( 0.0000000 0.0000000 0.2542650), wk = 0.0027397 k( 161) = ( 0.0000000 0.0000000 0.2669783), wk = 0.0027397 k( 162) = ( 0.0000000 0.0000000 0.2796915), wk = 0.0027397 k( 163) = ( 0.0000000 0.0000000 0.2924048), wk = 0.0027397 k( 164) = ( 0.0000000 0.0000000 0.3051180), wk = 0.0027397 k( 165) = ( 0.0000000 0.0000000 0.3178313), wk = 0.0027397 k( 166) = ( 0.0000000 0.0000000 0.3305445), wk = 0.0027397 k( 167) = ( 0.0000000 0.0000000 0.3432578), wk = 0.0027397 k( 168) = ( 0.0000000 0.0000000 0.3559710), wk = 0.0027397 k( 169) = ( 0.0000000 0.0000000 0.3559710), wk = 0.0027397 k( 170) = ( 0.0000000 0.0125000 0.3559710), wk = 0.0027397 k( 171) = ( 0.0000000 0.0250000 0.3559710), wk = 0.0027397 k( 172) = ( 0.0000000 0.0375000 0.3559710), wk = 0.0027397 k( 173) = ( 0.0000000 0.0500000 0.3559710), wk = 0.0027397 k( 174) = ( 0.0000000 0.0625000 0.3559710), wk = 0.0027397 k( 175) = ( 0.0000000 0.0750000 0.3559710), wk = 0.0027397 k( 176) = ( 0.0000000 0.0875000 0.3559710), wk = 0.0027397 k( 177) = ( 0.0000000 0.1000000 0.3559710), wk = 0.0027397 k( 178) = ( 0.0000000 0.1125000 0.3559710), wk = 0.0027397 k( 179) = ( 0.0000000 0.1250000 0.3559710), wk = 0.0027397 k( 180) = ( 0.0000000 0.1375000 0.3559710), wk = 0.0027397 k( 181) = ( 0.0000000 0.1500000 0.3559710), wk = 0.0027397 k( 182) = ( 0.0000000 0.1625000 0.3559710), wk = 0.0027397 k( 183) = ( 0.0000000 0.1750000 0.3559710), wk = 0.0027397 k( 184) = ( 0.0000000 0.1875000 0.3559710), wk = 0.0027397 k( 185) = ( 0.0000000 0.2000000 0.3559710), wk = 0.0027397 k( 186) = ( 0.0000000 0.2125000 0.3559710), wk = 0.0027397 k( 187) = ( 0.0000000 0.2250000 0.3559710), wk = 0.0027397 k( 188) = ( 0.0000000 0.2375000 0.3559710), wk = 0.0027397 k( 189) = ( 0.0000000 0.2500000 0.3559710), wk = 0.0027397 k( 190) = ( 0.0000000 0.2625000 0.3559710), wk = 0.0027397 k( 191) = ( 0.0000000 0.2750000 0.3559710), wk = 0.0027397 k( 192) = ( 0.0000000 0.2875000 0.3559710), wk = 0.0027397 k( 193) = ( 0.0000000 0.3000000 0.3559710), wk = 0.0027397 k( 194) = ( 0.0000000 0.3125000 0.3559710), wk = 0.0027397 k( 195) = ( 0.0000000 0.3250000 0.3559710), wk = 0.0027397 k( 196) = ( 0.0000000 0.3375000 0.3559710), wk = 0.0027397 k( 197) = ( 0.0000000 0.3500000 0.3559710), wk = 0.0027397 k( 198) = ( 0.0000000 0.3625000 0.3559710), wk = 0.0027397 k( 199) = ( 0.0000000 0.3750000 0.3559710), wk = 0.0027397 k( 200) = ( 0.0000000 0.3875000 0.3559710), wk = 0.0027397 k( 201) = ( 0.0000000 0.4000000 0.3559710), wk = 0.0027397 k( 202) = ( 0.0000000 0.4125000 0.3559710), wk = 0.0027397 k( 203) = ( 0.0000000 0.4250000 0.3559710), wk = 0.0027397 k( 204) = ( 0.0000000 0.4375000 0.3559710), wk = 0.0027397 k( 205) = ( 0.0000000 0.4500000 0.3559710), wk = 0.0027397 k( 206) = ( 0.0000000 0.4625000 0.3559710), wk = 0.0027397 k( 207) = ( 0.0000000 0.4750000 0.3559710), wk = 0.0027397 k( 208) = ( 0.0000000 0.4875000 0.3559710), wk = 0.0027397 k( 209) = ( 0.0000000 0.5000000 0.3559710), wk = 0.0027397 k( 210) = ( 0.0000000 0.5000000 0.3559710), wk = 0.0027397 k( 211) = ( 0.0125000 0.5000000 0.3559710), wk = 0.0027397 k( 212) = ( 0.0250000 0.5000000 0.3559710), wk = 0.0027397 k( 213) = ( 0.0375000 0.5000000 0.3559710), wk = 0.0027397 k( 214) = ( 0.0500000 0.5000000 0.3559710), wk = 0.0027397 k( 215) = ( 0.0625000 0.5000000 0.3559710), wk = 0.0027397 k( 216) = ( 0.0750000 0.5000000 0.3559710), wk = 0.0027397 k( 217) = ( 0.0875000 0.5000000 0.3559710), wk = 0.0027397 k( 218) = ( 0.1000000 0.5000000 0.3559710), wk = 0.0027397 k( 219) = ( 0.1125000 0.5000000 0.3559710), wk = 0.0027397 k( 220) = ( 0.1250000 0.5000000 0.3559710), wk = 0.0027397 k( 221) = ( 0.1375000 0.5000000 0.3559710), wk = 0.0027397 k( 222) = ( 0.1500000 0.5000000 0.3559710), wk = 0.0027397 k( 223) = ( 0.1625000 0.5000000 0.3559710), wk = 0.0027397 k( 224) = ( 0.1750000 0.5000000 0.3559710), wk = 0.0027397 k( 225) = ( 0.1875000 0.5000000 0.3559710), wk = 0.0027397 k( 226) = ( 0.2000000 0.5000000 0.3559710), wk = 0.0027397 k( 227) = ( 0.2125000 0.5000000 0.3559710), wk = 0.0027397 k( 228) = ( 0.2250000 0.5000000 0.3559710), wk = 0.0027397 k( 229) = ( 0.2375000 0.5000000 0.3559710), wk = 0.0027397 k( 230) = ( 0.2500000 0.5000000 0.3559710), wk = 0.0027397 k( 231) = ( 0.2625000 0.5000000 0.3559710), wk = 0.0027397 k( 232) = ( 0.2750000 0.5000000 0.3559710), wk = 0.0027397 k( 233) = ( 0.2875000 0.5000000 0.3559710), wk = 0.0027397 k( 234) = ( 0.3000000 0.5000000 0.3559710), wk = 0.0027397 k( 235) = ( 0.3125000 0.5000000 0.3559710), wk = 0.0027397 k( 236) = ( 0.3250000 0.5000000 0.3559710), wk = 0.0027397 k( 237) = ( 0.3375000 0.5000000 0.3559710), wk = 0.0027397 k( 238) = ( 0.3500000 0.5000000 0.3559710), wk = 0.0027397 k( 239) = ( 0.3625000 0.5000000 0.3559710), wk = 0.0027397 k( 240) = ( 0.3750000 0.5000000 0.3559710), wk = 0.0027397 k( 241) = ( 0.3875000 0.5000000 0.3559710), wk = 0.0027397 k( 242) = ( 0.4000000 0.5000000 0.3559710), wk = 0.0027397 k( 243) = ( 0.4125000 0.5000000 0.3559710), wk = 0.0027397 k( 244) = ( 0.4250000 0.5000000 0.3559710), wk = 0.0027397 k( 245) = ( 0.4375000 0.5000000 0.3559710), wk = 0.0027397 k( 246) = ( 0.4500000 0.5000000 0.3559710), wk = 0.0027397 k( 247) = ( 0.4625000 0.5000000 0.3559710), wk = 0.0027397 k( 248) = ( 0.4750000 0.5000000 0.3559710), wk = 0.0027397 k( 249) = ( 0.4875000 0.5000000 0.3559710), wk = 0.0027397 k( 250) = ( 0.5000000 0.5000000 0.3559710), wk = 0.0027397 k( 251) = ( 0.5000000 0.5000000 0.3559710), wk = 0.0027397 k( 252) = ( 0.4910714 0.4910714 0.3559710), wk = 0.0027397 k( 253) = ( 0.4821429 0.4821429 0.3559710), wk = 0.0027397 k( 254) = ( 0.4732143 0.4732143 0.3559710), wk = 0.0027397 k( 255) = ( 0.4642857 0.4642857 0.3559710), wk = 0.0027397 k( 256) = ( 0.4553571 0.4553571 0.3559710), wk = 0.0027397 k( 257) = ( 0.4464286 0.4464286 0.3559710), wk = 0.0027397 k( 258) = ( 0.4375000 0.4375000 0.3559710), wk = 0.0027397 k( 259) = ( 0.4285714 0.4285714 0.3559710), wk = 0.0027397 k( 260) = ( 0.4196429 0.4196429 0.3559710), wk = 0.0027397 k( 261) = ( 0.4107143 0.4107143 0.3559710), wk = 0.0027397 k( 262) = ( 0.4017857 0.4017857 0.3559710), wk = 0.0027397 k( 263) = ( 0.3928571 0.3928571 0.3559710), wk = 0.0027397 k( 264) = ( 0.3839286 0.3839286 0.3559710), wk = 0.0027397 k( 265) = ( 0.3750000 0.3750000 0.3559710), wk = 0.0027397 k( 266) = ( 0.3660714 0.3660714 0.3559710), wk = 0.0027397 k( 267) = ( 0.3571429 0.3571429 0.3559710), wk = 0.0027397 k( 268) = ( 0.3482143 0.3482143 0.3559710), wk = 0.0027397 k( 269) = ( 0.3392857 0.3392857 0.3559710), wk = 0.0027397 k( 270) = ( 0.3303571 0.3303571 0.3559710), wk = 0.0027397 k( 271) = ( 0.3214286 0.3214286 0.3559710), wk = 0.0027397 k( 272) = ( 0.3125000 0.3125000 0.3559710), wk = 0.0027397 k( 273) = ( 0.3035714 0.3035714 0.3559710), wk = 0.0027397 k( 274) = ( 0.2946429 0.2946429 0.3559710), wk = 0.0027397 k( 275) = ( 0.2857143 0.2857143 0.3559710), wk = 0.0027397 k( 276) = ( 0.2767857 0.2767857 0.3559710), wk = 0.0027397 k( 277) = ( 0.2678571 0.2678571 0.3559710), wk = 0.0027397 k( 278) = ( 0.2589286 0.2589286 0.3559710), wk = 0.0027397 k( 279) = ( 0.2500000 0.2500000 0.3559710), wk = 0.0027397 k( 280) = ( 0.2410714 0.2410714 0.3559710), wk = 0.0027397 k( 281) = ( 0.2321429 0.2321429 0.3559710), wk = 0.0027397 k( 282) = ( 0.2232143 0.2232143 0.3559710), wk = 0.0027397 k( 283) = ( 0.2142857 0.2142857 0.3559710), wk = 0.0027397 k( 284) = ( 0.2053571 0.2053571 0.3559710), wk = 0.0027397 k( 285) = ( 0.1964286 0.1964286 0.3559710), wk = 0.0027397 k( 286) = ( 0.1875000 0.1875000 0.3559710), wk = 0.0027397 k( 287) = ( 0.1785714 0.1785714 0.3559710), wk = 0.0027397 k( 288) = ( 0.1696429 0.1696429 0.3559710), wk = 0.0027397 k( 289) = ( 0.1607143 0.1607143 0.3559710), wk = 0.0027397 k( 290) = ( 0.1517857 0.1517857 0.3559710), wk = 0.0027397 k( 291) = ( 0.1428571 0.1428571 0.3559710), wk = 0.0027397 k( 292) = ( 0.1339286 0.1339286 0.3559710), wk = 0.0027397 k( 293) = ( 0.1250000 0.1250000 0.3559710), wk = 0.0027397 k( 294) = ( 0.1160714 0.1160714 0.3559710), wk = 0.0027397 k( 295) = ( 0.1071429 0.1071429 0.3559710), wk = 0.0027397 k( 296) = ( 0.0982143 0.0982143 0.3559710), wk = 0.0027397 k( 297) = ( 0.0892857 0.0892857 0.3559710), wk = 0.0027397 k( 298) = ( 0.0803571 0.0803571 0.3559710), wk = 0.0027397 k( 299) = ( 0.0714286 0.0714286 0.3559710), wk = 0.0027397 k( 300) = ( 0.0625000 0.0625000 0.3559710), wk = 0.0027397 k( 301) = ( 0.0535714 0.0535714 0.3559710), wk = 0.0027397 k( 302) = ( 0.0446429 0.0446429 0.3559710), wk = 0.0027397 k( 303) = ( 0.0357143 0.0357143 0.3559710), wk = 0.0027397 k( 304) = ( 0.0267857 0.0267857 0.3559710), wk = 0.0027397 k( 305) = ( 0.0178571 0.0178571 0.3559710), wk = 0.0027397 k( 306) = ( 0.0089286 0.0089286 0.3559710), wk = 0.0027397 k( 307) = ( 0.0000000 0.0000000 0.3559710), wk = 0.0027397 k( 308) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027397 k( 309) = ( 0.0000000 0.5000000 0.0127132), wk = 0.0027397 k( 310) = ( 0.0000000 0.5000000 0.0254265), wk = 0.0027397 k( 311) = ( 0.0000000 0.5000000 0.0381398), wk = 0.0027397 k( 312) = ( 0.0000000 0.5000000 0.0508530), wk = 0.0027397 k( 313) = ( 0.0000000 0.5000000 0.0635663), wk = 0.0027397 k( 314) = ( 0.0000000 0.5000000 0.0762795), wk = 0.0027397 k( 315) = ( 0.0000000 0.5000000 0.0889928), wk = 0.0027397 k( 316) = ( 0.0000000 0.5000000 0.1017060), wk = 0.0027397 k( 317) = ( 0.0000000 0.5000000 0.1144193), wk = 0.0027397 k( 318) = ( 0.0000000 0.5000000 0.1271325), wk = 0.0027397 k( 319) = ( 0.0000000 0.5000000 0.1398458), wk = 0.0027397 k( 320) = ( 0.0000000 0.5000000 0.1525590), wk = 0.0027397 k( 321) = ( 0.0000000 0.5000000 0.1652723), wk = 0.0027397 k( 322) = ( 0.0000000 0.5000000 0.1779855), wk = 0.0027397 k( 323) = ( 0.0000000 0.5000000 0.1906988), wk = 0.0027397 k( 324) = ( 0.0000000 0.5000000 0.2034120), wk = 0.0027397 k( 325) = ( 0.0000000 0.5000000 0.2161253), wk = 0.0027397 k( 326) = ( 0.0000000 0.5000000 0.2288385), wk = 0.0027397 k( 327) = ( 0.0000000 0.5000000 0.2415518), wk = 0.0027397 k( 328) = ( 0.0000000 0.5000000 0.2542650), wk = 0.0027397 k( 329) = ( 0.0000000 0.5000000 0.2669783), wk = 0.0027397 k( 330) = ( 0.0000000 0.5000000 0.2796915), wk = 0.0027397 k( 331) = ( 0.0000000 0.5000000 0.2924048), wk = 0.0027397 k( 332) = ( 0.0000000 0.5000000 0.3051180), wk = 0.0027397 k( 333) = ( 0.0000000 0.5000000 0.3178313), wk = 0.0027397 k( 334) = ( 0.0000000 0.5000000 0.3305445), wk = 0.0027397 k( 335) = ( 0.0000000 0.5000000 0.3432578), wk = 0.0027397 k( 336) = ( 0.0000000 0.5000000 0.3559710), wk = 0.0027397 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 338) = ( 0.5000000 0.5000000 0.0127132), wk = 0.0027397 k( 339) = ( 0.5000000 0.5000000 0.0254265), wk = 0.0027397 k( 340) = ( 0.5000000 0.5000000 0.0381398), wk = 0.0027397 k( 341) = ( 0.5000000 0.5000000 0.0508530), wk = 0.0027397 k( 342) = ( 0.5000000 0.5000000 0.0635663), wk = 0.0027397 k( 343) = ( 0.5000000 0.5000000 0.0762795), wk = 0.0027397 k( 344) = ( 0.5000000 0.5000000 0.0889928), wk = 0.0027397 k( 345) = ( 0.5000000 0.5000000 0.1017060), wk = 0.0027397 k( 346) = ( 0.5000000 0.5000000 0.1144193), wk = 0.0027397 k( 347) = ( 0.5000000 0.5000000 0.1271325), wk = 0.0027397 k( 348) = ( 0.5000000 0.5000000 0.1398458), wk = 0.0027397 k( 349) = ( 0.5000000 0.5000000 0.1525590), wk = 0.0027397 k( 350) = ( 0.5000000 0.5000000 0.1652723), wk = 0.0027397 k( 351) = ( 0.5000000 0.5000000 0.1779855), wk = 0.0027397 k( 352) = ( 0.5000000 0.5000000 0.1906988), wk = 0.0027397 k( 353) = ( 0.5000000 0.5000000 0.2034120), wk = 0.0027397 k( 354) = ( 0.5000000 0.5000000 0.2161253), wk = 0.0027397 k( 355) = ( 0.5000000 0.5000000 0.2288385), wk = 0.0027397 k( 356) = ( 0.5000000 0.5000000 0.2415518), wk = 0.0027397 k( 357) = ( 0.5000000 0.5000000 0.2542650), wk = 0.0027397 k( 358) = ( 0.5000000 0.5000000 0.2669783), wk = 0.0027397 k( 359) = ( 0.5000000 0.5000000 0.2796915), wk = 0.0027397 k( 360) = ( 0.5000000 0.5000000 0.2924048), wk = 0.0027397 k( 361) = ( 0.5000000 0.5000000 0.3051180), wk = 0.0027397 k( 362) = ( 0.5000000 0.5000000 0.3178313), wk = 0.0027397 k( 363) = ( 0.5000000 0.5000000 0.3305445), wk = 0.0027397 k( 364) = ( 0.5000000 0.5000000 0.3432578), wk = 0.0027397 k( 365) = ( 0.5000000 0.5000000 0.3559710), wk = 0.0027397 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 2) = ( 0.0000000 0.0125000 -0.0000000), wk = 0.0027397 k( 3) = ( 0.0000000 0.0250000 -0.0000000), wk = 0.0027397 k( 4) = ( 0.0000000 0.0375000 0.0000000), wk = 0.0027397 k( 5) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0027397 k( 6) = ( 0.0000000 0.0625000 -0.0000000), wk = 0.0027397 k( 7) = ( 0.0000000 0.0750000 0.0000000), wk = 0.0027397 k( 8) = ( 0.0000000 0.0875000 -0.0000000), wk = 0.0027397 k( 9) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0027397 k( 10) = ( 0.0000000 0.1125000 0.0000000), wk = 0.0027397 k( 11) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0027397 k( 12) = ( 0.0000000 0.1375000 -0.0000000), wk = 0.0027397 k( 13) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0027397 k( 14) = ( 0.0000000 0.1625000 0.0000000), wk = 0.0027397 k( 15) = ( 0.0000000 0.1750000 -0.0000000), wk = 0.0027397 k( 16) = ( 0.0000000 0.1875000 -0.0000000), wk = 0.0027397 k( 17) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0027397 k( 18) = ( 0.0000000 0.2125000 -0.0000000), wk = 0.0027397 k( 19) = ( 0.0000000 0.2250000 0.0000000), wk = 0.0027397 k( 20) = ( 0.0000000 0.2375000 -0.0000000), wk = 0.0027397 k( 21) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0027397 k( 22) = ( 0.0000000 0.2625000 -0.0000000), wk = 0.0027397 k( 23) = ( 0.0000000 0.2750000 -0.0000000), wk = 0.0027397 k( 24) = ( 0.0000000 0.2875000 0.0000000), wk = 0.0027397 k( 25) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0027397 k( 26) = ( 0.0000000 0.3125000 0.0000000), wk = 0.0027397 k( 27) = ( 0.0000000 0.3250000 0.0000000), wk = 0.0027397 k( 28) = ( 0.0000000 0.3375000 -0.0000000), wk = 0.0027397 k( 29) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0027397 k( 30) = ( 0.0000000 0.3625000 -0.0000000), wk = 0.0027397 k( 31) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0027397 k( 32) = ( 0.0000000 0.3875000 -0.0000000), wk = 0.0027397 k( 33) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0027397 k( 34) = ( 0.0000000 0.4125000 -0.0000000), wk = 0.0027397 k( 35) = ( 0.0000000 0.4250000 -0.0000000), wk = 0.0027397 k( 36) = ( 0.0000000 0.4375000 -0.0000000), wk = 0.0027397 k( 37) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0027397 k( 38) = ( 0.0000000 0.4625000 0.0000000), wk = 0.0027397 k( 39) = ( 0.0000000 0.4750000 -0.0000000), wk = 0.0027397 k( 40) = ( 0.0000000 0.4875000 -0.0000000), wk = 0.0027397 k( 41) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027397 k( 42) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027397 k( 43) = ( 0.0125000 0.5000000 -0.0000000), wk = 0.0027397 k( 44) = ( 0.0250000 0.5000000 0.0000000), wk = 0.0027397 k( 45) = ( 0.0375000 0.5000000 -0.0000000), wk = 0.0027397 k( 46) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0027397 k( 47) = ( 0.0625000 0.5000000 0.0000000), wk = 0.0027397 k( 48) = ( 0.0750000 0.5000000 -0.0000000), wk = 0.0027397 k( 49) = ( 0.0875000 0.5000000 -0.0000000), wk = 0.0027397 k( 50) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0027397 k( 51) = ( 0.1125000 0.5000000 -0.0000000), wk = 0.0027397 k( 52) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0027397 k( 53) = ( 0.1375000 0.5000000 0.0000000), wk = 0.0027397 k( 54) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0027397 k( 55) = ( 0.1625000 0.5000000 0.0000000), wk = 0.0027397 k( 56) = ( 0.1750000 0.5000000 0.0000000), wk = 0.0027397 k( 57) = ( 0.1875000 0.5000000 0.0000000), wk = 0.0027397 k( 58) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0027397 k( 59) = ( 0.2125000 0.5000000 0.0000000), wk = 0.0027397 k( 60) = ( 0.2250000 0.5000000 -0.0000000), wk = 0.0027397 k( 61) = ( 0.2375000 0.5000000 0.0000000), wk = 0.0027397 k( 62) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0027397 k( 63) = ( 0.2625000 0.5000000 -0.0000000), wk = 0.0027397 k( 64) = ( 0.2750000 0.5000000 0.0000000), wk = 0.0027397 k( 65) = ( 0.2875000 0.5000000 0.0000000), wk = 0.0027397 k( 66) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0027397 k( 67) = ( 0.3125000 0.5000000 0.0000000), wk = 0.0027397 k( 68) = ( 0.3250000 0.5000000 -0.0000000), wk = 0.0027397 k( 69) = ( 0.3375000 0.5000000 0.0000000), wk = 0.0027397 k( 70) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0027397 k( 71) = ( 0.3625000 0.5000000 -0.0000000), wk = 0.0027397 k( 72) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0027397 k( 73) = ( 0.3875000 0.5000000 -0.0000000), wk = 0.0027397 k( 74) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0027397 k( 75) = ( 0.4125000 0.5000000 0.0000000), wk = 0.0027397 k( 76) = ( 0.4250000 0.5000000 -0.0000000), wk = 0.0027397 k( 77) = ( 0.4375000 0.5000000 0.0000000), wk = 0.0027397 k( 78) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0027397 k( 79) = ( 0.4625000 0.5000000 -0.0000000), wk = 0.0027397 k( 80) = ( 0.4750000 0.5000000 0.0000000), wk = 0.0027397 k( 81) = ( 0.4875000 0.5000000 -0.0000000), wk = 0.0027397 k( 82) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 83) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 84) = ( 0.4910714 0.4910714 -0.0000000), wk = 0.0027397 k( 85) = ( 0.4821429 0.4821429 0.0000000), wk = 0.0027397 k( 86) = ( 0.4732143 0.4732143 0.0000000), wk = 0.0027397 k( 87) = ( 0.4642857 0.4642857 0.0000000), wk = 0.0027397 k( 88) = ( 0.4553571 0.4553571 0.0000000), wk = 0.0027397 k( 89) = ( 0.4464286 0.4464286 -0.0000000), wk = 0.0027397 k( 90) = ( 0.4375000 0.4375000 0.0000000), wk = 0.0027397 k( 91) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0027397 k( 92) = ( 0.4196429 0.4196429 -0.0000000), wk = 0.0027397 k( 93) = ( 0.4107143 0.4107143 0.0000000), wk = 0.0027397 k( 94) = ( 0.4017857 0.4017857 0.0000000), wk = 0.0027397 k( 95) = ( 0.3928571 0.3928571 0.0000000), wk = 0.0027397 k( 96) = ( 0.3839286 0.3839286 0.0000000), wk = 0.0027397 k( 97) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0027397 k( 98) = ( 0.3660714 0.3660714 0.0000000), wk = 0.0027397 k( 99) = ( 0.3571429 0.3571429 0.0000000), wk = 0.0027397 k( 100) = ( 0.3482143 0.3482143 -0.0000000), wk = 0.0027397 k( 101) = ( 0.3392857 0.3392857 0.0000000), wk = 0.0027397 k( 102) = ( 0.3303571 0.3303571 0.0000000), wk = 0.0027397 k( 103) = ( 0.3214286 0.3214286 -0.0000000), wk = 0.0027397 k( 104) = ( 0.3125000 0.3125000 0.0000000), wk = 0.0027397 k( 105) = ( 0.3035714 0.3035714 0.0000000), wk = 0.0027397 k( 106) = ( 0.2946429 0.2946429 -0.0000000), wk = 0.0027397 k( 107) = ( 0.2857143 0.2857143 0.0000000), wk = 0.0027397 k( 108) = ( 0.2767857 0.2767857 0.0000000), wk = 0.0027397 k( 109) = ( 0.2678571 0.2678571 0.0000000), wk = 0.0027397 k( 110) = ( 0.2589286 0.2589286 0.0000000), wk = 0.0027397 k( 111) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0027397 k( 112) = ( 0.2410714 0.2410714 0.0000000), wk = 0.0027397 k( 113) = ( 0.2321429 0.2321429 0.0000000), wk = 0.0027397 k( 114) = ( 0.2232143 0.2232143 0.0000000), wk = 0.0027397 k( 115) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0027397 k( 116) = ( 0.2053571 0.2053571 0.0000000), wk = 0.0027397 k( 117) = ( 0.1964286 0.1964286 0.0000000), wk = 0.0027397 k( 118) = ( 0.1875000 0.1875000 0.0000000), wk = 0.0027397 k( 119) = ( 0.1785714 0.1785714 0.0000000), wk = 0.0027397 k( 120) = ( 0.1696429 0.1696429 0.0000000), wk = 0.0027397 k( 121) = ( 0.1607143 0.1607143 0.0000000), wk = 0.0027397 k( 122) = ( 0.1517857 0.1517857 0.0000000), wk = 0.0027397 k( 123) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0027397 k( 124) = ( 0.1339286 0.1339286 0.0000000), wk = 0.0027397 k( 125) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0027397 k( 126) = ( 0.1160714 0.1160714 0.0000000), wk = 0.0027397 k( 127) = ( 0.1071429 0.1071429 0.0000000), wk = 0.0027397 k( 128) = ( 0.0982143 0.0982143 0.0000000), wk = 0.0027397 k( 129) = ( 0.0892857 0.0892857 0.0000000), wk = 0.0027397 k( 130) = ( 0.0803571 0.0803571 0.0000000), wk = 0.0027397 k( 131) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0027397 k( 132) = ( 0.0625000 0.0625000 -0.0000000), wk = 0.0027397 k( 133) = ( 0.0535714 0.0535714 0.0000000), wk = 0.0027397 k( 134) = ( 0.0446429 0.0446429 0.0000000), wk = 0.0027397 k( 135) = ( 0.0357143 0.0357143 0.0000000), wk = 0.0027397 k( 136) = ( 0.0267857 0.0267857 0.0000000), wk = 0.0027397 k( 137) = ( 0.0178571 0.0178571 -0.0000000), wk = 0.0027397 k( 138) = ( 0.0089286 0.0089286 -0.0000000), wk = 0.0027397 k( 139) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 140) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027397 k( 141) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0027397 k( 142) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0027397 k( 143) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0027397 k( 144) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0027397 k( 145) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0027397 k( 146) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0027397 k( 147) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0027397 k( 148) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0027397 k( 149) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0027397 k( 150) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0027397 k( 151) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0027397 k( 152) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0027397 k( 153) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0027397 k( 154) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0027397 k( 155) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0027397 k( 156) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0027397 k( 157) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0027397 k( 158) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0027397 k( 159) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0027397 k( 160) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0027397 k( 161) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0027397 k( 162) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0027397 k( 163) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0027397 k( 164) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0027397 k( 165) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0027397 k( 166) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0027397 k( 167) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0027397 k( 168) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027397 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027397 k( 170) = ( 0.0000000 0.0125000 0.5000000), wk = 0.0027397 k( 171) = ( 0.0000000 0.0250000 0.5000000), wk = 0.0027397 k( 172) = ( 0.0000000 0.0375000 0.5000000), wk = 0.0027397 k( 173) = ( 0.0000000 0.0500000 0.5000000), wk = 0.0027397 k( 174) = ( 0.0000000 0.0625000 0.5000000), wk = 0.0027397 k( 175) = ( 0.0000000 0.0750000 0.5000000), wk = 0.0027397 k( 176) = ( 0.0000000 0.0875000 0.5000000), wk = 0.0027397 k( 177) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0027397 k( 178) = ( 0.0000000 0.1125000 0.5000000), wk = 0.0027397 k( 179) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0027397 k( 180) = ( 0.0000000 0.1375000 0.5000000), wk = 0.0027397 k( 181) = ( 0.0000000 0.1500000 0.5000000), wk = 0.0027397 k( 182) = ( 0.0000000 0.1625000 0.5000000), wk = 0.0027397 k( 183) = ( 0.0000000 0.1750000 0.5000000), wk = 0.0027397 k( 184) = ( 0.0000000 0.1875000 0.5000000), wk = 0.0027397 k( 185) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0027397 k( 186) = ( 0.0000000 0.2125000 0.5000000), wk = 0.0027397 k( 187) = ( 0.0000000 0.2250000 0.5000000), wk = 0.0027397 k( 188) = ( 0.0000000 0.2375000 0.5000000), wk = 0.0027397 k( 189) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0027397 k( 190) = ( 0.0000000 0.2625000 0.5000000), wk = 0.0027397 k( 191) = ( 0.0000000 0.2750000 0.5000000), wk = 0.0027397 k( 192) = ( 0.0000000 0.2875000 0.5000000), wk = 0.0027397 k( 193) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0027397 k( 194) = ( 0.0000000 0.3125000 0.5000000), wk = 0.0027397 k( 195) = ( 0.0000000 0.3250000 0.5000000), wk = 0.0027397 k( 196) = ( 0.0000000 0.3375000 0.5000000), wk = 0.0027397 k( 197) = ( 0.0000000 0.3500000 0.5000000), wk = 0.0027397 k( 198) = ( 0.0000000 0.3625000 0.5000000), wk = 0.0027397 k( 199) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0027397 k( 200) = ( 0.0000000 0.3875000 0.5000000), wk = 0.0027397 k( 201) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0027397 k( 202) = ( 0.0000000 0.4125000 0.5000000), wk = 0.0027397 k( 203) = ( 0.0000000 0.4250000 0.5000000), wk = 0.0027397 k( 204) = ( 0.0000000 0.4375000 0.5000000), wk = 0.0027397 k( 205) = ( 0.0000000 0.4500000 0.5000000), wk = 0.0027397 k( 206) = ( 0.0000000 0.4625000 0.5000000), wk = 0.0027397 k( 207) = ( 0.0000000 0.4750000 0.5000000), wk = 0.0027397 k( 208) = ( 0.0000000 0.4875000 0.5000000), wk = 0.0027397 k( 209) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 210) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 211) = ( 0.0125000 0.5000000 0.5000000), wk = 0.0027397 k( 212) = ( 0.0250000 0.5000000 0.5000000), wk = 0.0027397 k( 213) = ( 0.0375000 0.5000000 0.5000000), wk = 0.0027397 k( 214) = ( 0.0500000 0.5000000 0.5000000), wk = 0.0027397 k( 215) = ( 0.0625000 0.5000000 0.5000000), wk = 0.0027397 k( 216) = ( 0.0750000 0.5000000 0.5000000), wk = 0.0027397 k( 217) = ( 0.0875000 0.5000000 0.5000000), wk = 0.0027397 k( 218) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0027397 k( 219) = ( 0.1125000 0.5000000 0.5000000), wk = 0.0027397 k( 220) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0027397 k( 221) = ( 0.1375000 0.5000000 0.5000000), wk = 0.0027397 k( 222) = ( 0.1500000 0.5000000 0.5000000), wk = 0.0027397 k( 223) = ( 0.1625000 0.5000000 0.5000000), wk = 0.0027397 k( 224) = ( 0.1750000 0.5000000 0.5000000), wk = 0.0027397 k( 225) = ( 0.1875000 0.5000000 0.5000000), wk = 0.0027397 k( 226) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0027397 k( 227) = ( 0.2125000 0.5000000 0.5000000), wk = 0.0027397 k( 228) = ( 0.2250000 0.5000000 0.5000000), wk = 0.0027397 k( 229) = ( 0.2375000 0.5000000 0.5000000), wk = 0.0027397 k( 230) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0027397 k( 231) = ( 0.2625000 0.5000000 0.5000000), wk = 0.0027397 k( 232) = ( 0.2750000 0.5000000 0.5000000), wk = 0.0027397 k( 233) = ( 0.2875000 0.5000000 0.5000000), wk = 0.0027397 k( 234) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0027397 k( 235) = ( 0.3125000 0.5000000 0.5000000), wk = 0.0027397 k( 236) = ( 0.3250000 0.5000000 0.5000000), wk = 0.0027397 k( 237) = ( 0.3375000 0.5000000 0.5000000), wk = 0.0027397 k( 238) = ( 0.3500000 0.5000000 0.5000000), wk = 0.0027397 k( 239) = ( 0.3625000 0.5000000 0.5000000), wk = 0.0027397 k( 240) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0027397 k( 241) = ( 0.3875000 0.5000000 0.5000000), wk = 0.0027397 k( 242) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0027397 k( 243) = ( 0.4125000 0.5000000 0.5000000), wk = 0.0027397 k( 244) = ( 0.4250000 0.5000000 0.5000000), wk = 0.0027397 k( 245) = ( 0.4375000 0.5000000 0.5000000), wk = 0.0027397 k( 246) = ( 0.4500000 0.5000000 0.5000000), wk = 0.0027397 k( 247) = ( 0.4625000 0.5000000 0.5000000), wk = 0.0027397 k( 248) = ( 0.4750000 0.5000000 0.5000000), wk = 0.0027397 k( 249) = ( 0.4875000 0.5000000 0.5000000), wk = 0.0027397 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 k( 252) = ( 0.4910714 0.4910714 0.5000000), wk = 0.0027397 k( 253) = ( 0.4821429 0.4821429 0.5000000), wk = 0.0027397 k( 254) = ( 0.4732143 0.4732143 0.5000000), wk = 0.0027397 k( 255) = ( 0.4642857 0.4642857 0.5000000), wk = 0.0027397 k( 256) = ( 0.4553571 0.4553571 0.5000000), wk = 0.0027397 k( 257) = ( 0.4464286 0.4464286 0.5000000), wk = 0.0027397 k( 258) = ( 0.4375000 0.4375000 0.5000000), wk = 0.0027397 k( 259) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0027397 k( 260) = ( 0.4196429 0.4196429 0.5000000), wk = 0.0027397 k( 261) = ( 0.4107143 0.4107143 0.5000000), wk = 0.0027397 k( 262) = ( 0.4017857 0.4017857 0.5000000), wk = 0.0027397 k( 263) = ( 0.3928571 0.3928571 0.5000000), wk = 0.0027397 k( 264) = ( 0.3839286 0.3839286 0.5000000), wk = 0.0027397 k( 265) = ( 0.3750000 0.3750000 0.5000000), wk = 0.0027397 k( 266) = ( 0.3660714 0.3660714 0.5000000), wk = 0.0027397 k( 267) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0027397 k( 268) = ( 0.3482143 0.3482143 0.5000000), wk = 0.0027397 k( 269) = ( 0.3392857 0.3392857 0.5000000), wk = 0.0027397 k( 270) = ( 0.3303571 0.3303571 0.5000000), wk = 0.0027397 k( 271) = ( 0.3214286 0.3214286 0.5000000), wk = 0.0027397 k( 272) = ( 0.3125000 0.3125000 0.5000000), wk = 0.0027397 k( 273) = ( 0.3035714 0.3035714 0.5000000), wk = 0.0027397 k( 274) = ( 0.2946429 0.2946429 0.5000000), wk = 0.0027397 k( 275) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0027397 k( 276) = ( 0.2767857 0.2767857 0.5000000), wk = 0.0027397 k( 277) = ( 0.2678571 0.2678571 0.5000000), wk = 0.0027397 k( 278) = ( 0.2589286 0.2589286 0.5000000), wk = 0.0027397 k( 279) = ( 0.2500000 0.2500000 0.5000000), wk = 0.0027397 k( 280) = ( 0.2410714 0.2410714 0.5000000), wk = 0.0027397 k( 281) = ( 0.2321429 0.2321429 0.5000000), wk = 0.0027397 k( 282) = ( 0.2232143 0.2232143 0.5000000), wk = 0.0027397 k( 283) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0027397 k( 284) = ( 0.2053571 0.2053571 0.5000000), wk = 0.0027397 k( 285) = ( 0.1964286 0.1964286 0.5000000), wk = 0.0027397 k( 286) = ( 0.1875000 0.1875000 0.5000000), wk = 0.0027397 k( 287) = ( 0.1785714 0.1785714 0.5000000), wk = 0.0027397 k( 288) = ( 0.1696429 0.1696429 0.5000000), wk = 0.0027397 k( 289) = ( 0.1607143 0.1607143 0.5000000), wk = 0.0027397 k( 290) = ( 0.1517857 0.1517857 0.5000000), wk = 0.0027397 k( 291) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0027397 k( 292) = ( 0.1339286 0.1339286 0.5000000), wk = 0.0027397 k( 293) = ( 0.1250000 0.1250000 0.5000000), wk = 0.0027397 k( 294) = ( 0.1160714 0.1160714 0.5000000), wk = 0.0027397 k( 295) = ( 0.1071429 0.1071429 0.5000000), wk = 0.0027397 k( 296) = ( 0.0982143 0.0982143 0.5000000), wk = 0.0027397 k( 297) = ( 0.0892857 0.0892857 0.5000000), wk = 0.0027397 k( 298) = ( 0.0803571 0.0803571 0.5000000), wk = 0.0027397 k( 299) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0027397 k( 300) = ( 0.0625000 0.0625000 0.5000000), wk = 0.0027397 k( 301) = ( 0.0535714 0.0535714 0.5000000), wk = 0.0027397 k( 302) = ( 0.0446429 0.0446429 0.5000000), wk = 0.0027397 k( 303) = ( 0.0357143 0.0357143 0.5000000), wk = 0.0027397 k( 304) = ( 0.0267857 0.0267857 0.5000000), wk = 0.0027397 k( 305) = ( 0.0178571 0.0178571 0.5000000), wk = 0.0027397 k( 306) = ( 0.0089286 0.0089286 0.5000000), wk = 0.0027397 k( 307) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027397 k( 308) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027397 k( 309) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0027397 k( 310) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0027397 k( 311) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0027397 k( 312) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0027397 k( 313) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0027397 k( 314) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0027397 k( 315) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0027397 k( 316) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0027397 k( 317) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0027397 k( 318) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0027397 k( 319) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0027397 k( 320) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0027397 k( 321) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0027397 k( 322) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0027397 k( 323) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0027397 k( 324) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0027397 k( 325) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0027397 k( 326) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0027397 k( 327) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0027397 k( 328) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0027397 k( 329) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0027397 k( 330) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0027397 k( 331) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0027397 k( 332) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0027397 k( 333) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0027397 k( 334) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0027397 k( 335) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0027397 k( 336) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0027397 k( 337) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0027397 k( 338) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0027397 k( 339) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0027397 k( 340) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0027397 k( 341) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0027397 k( 342) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0027397 k( 343) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0027397 k( 344) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0027397 k( 345) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0027397 k( 346) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0027397 k( 347) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0027397 k( 348) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0027397 k( 349) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0027397 k( 350) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0027397 k( 351) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0027397 k( 352) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0027397 k( 353) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0027397 k( 354) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0027397 k( 355) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0027397 k( 356) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0027397 k( 357) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0027397 k( 358) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0027397 k( 359) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0027397 k( 360) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0027397 k( 361) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0027397 k( 362) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0027397 k( 363) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0027397 k( 364) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0027397 k( 365) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0027397 Dense grid: 38049 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 26067 G-vectors FFT dimensions: ( 36, 36, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 100, 44) NL pseudopotentials 0.10 Mb ( 50, 136) Each V/rho on FFT grid 0.02 Mb ( 1600) Each G-vector array 0.00 Mb ( 530) G-vector shells 0.00 Mb ( 273) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.27 Mb ( 100, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.18 Mb ( 136, 2, 44) The potential is recalculated from file : ./CuI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.0 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.3 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.8 secs Computing kpt #: 10 total cpu time spent up to now is 8.3 secs Computing kpt #: 11 total cpu time spent up to now is 8.9 secs Computing kpt #: 12 total cpu time spent up to now is 9.7 secs Computing kpt #: 13 total cpu time spent up to now is 10.3 secs Computing kpt #: 14 total cpu time spent up to now is 10.9 secs Computing kpt #: 15 total cpu time spent up to now is 11.7 secs Computing kpt #: 16 total cpu time spent up to now is 12.6 secs Computing kpt #: 17 total cpu time spent up to now is 13.1 secs Computing kpt #: 18 total cpu time spent up to now is 13.7 secs Computing kpt #: 19 total cpu time spent up to now is 14.4 secs Computing kpt #: 20 total cpu time spent up to now is 14.9 secs Computing kpt #: 21 total cpu time spent up to now is 15.5 secs Computing kpt #: 22 total cpu time spent up to now is 16.1 secs Computing kpt #: 23 total cpu time spent up to now is 16.6 secs Computing kpt #: 24 total cpu time spent up to now is 17.2 secs Computing kpt #: 25 total cpu time spent up to now is 18.1 secs Computing kpt #: 26 total cpu time spent up to now is 18.8 secs Computing kpt #: 27 total cpu time spent up to now is 19.4 secs Computing kpt #: 28 total cpu time spent up to now is 20.1 secs Computing kpt #: 29 total cpu time spent up to now is 20.8 secs Computing kpt #: 30 total cpu time spent up to now is 21.5 secs Computing kpt #: 31 total cpu time spent up to now is 22.4 secs Computing kpt #: 32 total cpu time spent up to now is 23.4 secs Computing kpt #: 33 total cpu time spent up to now is 23.9 secs Computing kpt #: 34 total cpu time spent up to now is 24.4 secs Computing kpt #: 35 total cpu time spent up to now is 25.1 secs Computing kpt #: 36 total cpu time spent up to now is 25.6 secs Computing kpt #: 37 total cpu time spent up to now is 26.1 secs Computing kpt #: 38 total cpu time spent up to now is 26.7 secs Computing kpt #: 39 total cpu time spent up to now is 27.2 secs Computing kpt #: 40 total cpu time spent up to now is 27.7 secs Computing kpt #: 41 total cpu time spent up to now is 28.2 secs Computing kpt #: 42 total cpu time spent up to now is 28.8 secs Computing kpt #: 43 total cpu time spent up to now is 29.3 secs Computing kpt #: 44 total cpu time spent up to now is 29.9 secs Computing kpt #: 45 total cpu time spent up to now is 30.4 secs Computing kpt #: 46 total cpu time spent up to now is 31.0 secs Computing kpt #: 47 total cpu time spent up to now is 31.6 secs Computing kpt #: 48 total cpu time spent up to now is 32.1 secs Computing kpt #: 49 total cpu time spent up to now is 32.7 secs Computing kpt #: 50 total cpu time spent up to now is 33.3 secs Computing kpt #: 51 total cpu time spent up to now is 33.9 secs Computing kpt #: 52 total cpu time spent up to now is 34.5 secs Computing kpt #: 53 total cpu time spent up to now is 35.0 secs Computing kpt #: 54 total cpu time spent up to now is 36.5 secs Computing kpt #: 55 total cpu time spent up to now is 37.0 secs Computing kpt #: 56 total cpu time spent up to now is 37.5 secs Computing kpt #: 57 total cpu time spent up to now is 38.1 secs Computing kpt #: 58 total cpu time spent up to now is 38.6 secs Computing kpt #: 59 total cpu time spent up to now is 39.1 secs Computing kpt #: 60 total cpu time spent up to now is 39.6 secs Computing kpt #: 61 total cpu time spent up to now is 40.1 secs Computing kpt #: 62 total cpu time spent up to now is 40.7 secs Computing kpt #: 63 total cpu time spent up to now is 41.3 secs Computing kpt #: 64 total cpu time spent up to now is 41.9 secs Computing kpt #: 65 total cpu time spent up to now is 42.4 secs Computing kpt #: 66 total cpu time spent up to now is 42.9 secs Computing kpt #: 67 total cpu time spent up to now is 43.4 secs Computing kpt #: 68 total cpu time spent up to now is 43.9 secs Computing kpt #: 69 total cpu time spent up to now is 44.4 secs Computing kpt #: 70 total cpu time spent up to now is 45.0 secs Computing kpt #: 71 total cpu time spent up to now is 45.4 secs Computing kpt #: 72 total cpu time spent up to now is 45.9 secs Computing kpt #: 73 total cpu time spent up to now is 46.3 secs Computing kpt #: 74 total cpu time spent up to now is 46.8 secs Computing kpt #: 75 total cpu time spent up to now is 47.3 secs Computing kpt #: 76 total cpu time spent up to now is 47.8 secs Computing kpt #: 77 total cpu time spent up to now is 48.2 secs Computing kpt #: 78 total cpu time spent up to now is 48.7 secs Computing kpt #: 79 total cpu time spent up to now is 49.1 secs Computing kpt #: 80 total cpu time spent up to now is 49.5 secs Computing kpt #: 81 total cpu time spent up to now is 49.9 secs Computing kpt #: 82 total cpu time spent up to now is 50.4 secs Computing kpt #: 83 total cpu time spent up to now is 50.8 secs Computing kpt #: 84 total cpu time spent up to now is 51.3 secs Computing kpt #: 85 total cpu time spent up to now is 51.7 secs Computing kpt #: 86 total cpu time spent up to now is 52.1 secs Computing kpt #: 87 total cpu time spent up to now is 52.5 secs Computing kpt #: 88 total cpu time spent up to now is 53.0 secs Computing kpt #: 89 total cpu time spent up to now is 53.5 secs Computing kpt #: 90 total cpu time spent up to now is 53.9 secs Computing kpt #: 91 total cpu time spent up to now is 54.4 secs Computing kpt #: 92 total cpu time spent up to now is 54.8 secs Computing kpt #: 93 total cpu time spent up to now is 55.4 secs Computing kpt #: 94 total cpu time spent up to now is 55.8 secs Computing kpt #: 95 total cpu time spent up to now is 56.4 secs Computing kpt #: 96 total cpu time spent up to now is 56.7 secs Computing kpt #: 97 total cpu 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65.0 secs Computing kpt #: 113 total cpu time spent up to now is 65.6 secs Computing kpt #: 114 total cpu time spent up to now is 69.4 secs Computing kpt #: 115 total cpu time spent up to now is 70.1 secs Computing kpt #: 116 total cpu time spent up to now is 73.7 secs Computing kpt #: 117 total cpu time spent up to now is 74.2 secs Computing kpt #: 118 total cpu time spent up to now is 74.9 secs Computing kpt #: 119 total cpu time spent up to now is 75.4 secs Computing kpt #: 120 total cpu time spent up to now is 75.9 secs Computing kpt #: 121 total cpu time spent up to now is 76.4 secs Computing kpt #: 122 total cpu time spent up to now is 77.1 secs Computing kpt #: 123 total cpu time spent up to now is 77.7 secs Computing kpt #: 124 total cpu time spent up to now is 78.2 secs Computing kpt #: 125 total cpu time spent up to now is 78.8 secs Computing kpt #: 126 total cpu time spent up to now is 79.3 secs Computing kpt #: 127 total cpu time spent up to now is 79.9 secs Computing kpt #: 128 total cpu time spent up to now is 80.4 secs Computing kpt #: 129 total cpu time spent up to now is 80.9 secs Computing kpt #: 130 total cpu time spent up to now is 81.5 secs Computing kpt #: 131 total cpu time spent up to now is 82.1 secs Computing kpt #: 132 total cpu time spent up to now is 82.7 secs Computing kpt #: 133 total cpu time spent up to now is 83.2 secs Computing kpt #: 134 total cpu time spent up to now is 83.9 secs Computing kpt #: 135 total cpu time spent up to now is 84.6 secs Computing kpt #: 136 total cpu time spent up to now is 85.2 secs Computing kpt #: 137 total cpu time spent up to now is 85.7 secs Computing kpt #: 138 total cpu time spent up to now is 86.3 secs Computing kpt #: 139 total cpu time spent up to now is 86.9 secs Computing kpt #: 140 total cpu time spent up to now is 87.4 secs Computing kpt #: 141 total cpu time spent up to now is 88.1 secs Computing kpt #: 142 total cpu time spent up to now is 88.7 secs Computing kpt #: 143 total cpu time spent up to now is 89.2 secs Computing kpt #: 144 total cpu time spent up to now is 89.9 secs Computing kpt #: 145 total cpu time spent up to now is 90.5 secs Computing kpt #: 146 total cpu time spent up to now is 91.1 secs Computing kpt #: 147 total cpu time spent up to now is 91.7 secs Computing kpt #: 148 total cpu time spent up to now is 92.5 secs Computing kpt #: 149 total cpu time spent up to now is 93.1 secs Computing kpt #: 150 total cpu time spent up to now is 93.8 secs Computing kpt #: 151 total cpu time spent up to now is 94.4 secs Computing kpt #: 152 total cpu time spent up to now is 95.1 secs Computing kpt #: 153 total cpu time spent up to now is 95.7 secs Computing kpt #: 154 total cpu time spent up to now is 96.3 secs Computing kpt #: 155 total cpu time spent up to now is 96.8 secs Computing kpt #: 156 total cpu time spent up to now is 97.5 secs Computing kpt #: 157 total cpu time spent up to now is 98.0 secs Computing kpt #: 158 total cpu time spent up to now is 98.6 secs Computing kpt #: 159 total cpu time spent up to now is 99.3 secs Computing kpt #: 160 total cpu time spent up to now is 99.8 secs Computing kpt #: 161 total cpu time spent up to now is 100.3 secs Computing kpt #: 162 total cpu time spent up to now is 103.5 secs Computing kpt #: 163 total cpu time spent up to now is 104.0 secs Computing kpt #: 164 total cpu time spent up to now is 104.6 secs Computing kpt #: 165 total cpu time spent up to now is 105.1 secs Computing kpt #: 166 total cpu time spent up to now is 105.7 secs Computing kpt #: 167 total cpu time spent up to now is 108.0 secs Computing kpt #: 168 total cpu time spent up to now is 108.5 secs Computing kpt #: 169 total cpu time spent up to now is 109.0 secs Computing kpt #: 170 total cpu time spent up to now is 109.8 secs Computing kpt #: 171 total cpu time spent up to now is 110.3 secs Computing kpt #: 172 total cpu time spent up to now is 110.8 secs Computing kpt #: 173 total cpu time spent up to now is 111.4 secs Computing kpt #: 174 total cpu time spent up to now is 111.9 secs Computing kpt #: 175 total cpu time spent up to now is 112.4 secs Computing kpt #: 176 total cpu time spent up to now is 113.0 secs Computing kpt #: 177 total cpu time spent up to now is 113.6 secs Computing kpt #: 178 total cpu time spent up to now is 114.2 secs Computing kpt #: 179 total cpu time spent up to now is 114.8 secs Computing kpt #: 180 total cpu time spent up to now is 115.4 secs Computing kpt #: 181 total cpu time spent up to now is 116.0 secs Computing kpt #: 182 total cpu time spent up to now is 116.7 secs Computing kpt #: 183 total cpu time spent up to now is 117.2 secs Computing kpt #: 184 total cpu time spent up to now is 117.8 secs Computing kpt #: 185 total cpu time spent up to now is 118.4 secs Computing kpt #: 186 total cpu time spent up to now is 118.9 secs Computing kpt #: 187 total cpu time spent up to now is 119.5 secs Computing kpt #: 188 total cpu time spent up to now is 120.1 secs Computing kpt #: 189 total cpu time spent up to now is 120.8 secs Computing kpt #: 190 total cpu time spent up to now is 121.4 secs Computing kpt #: 191 total cpu time spent up to now is 122.2 secs Computing kpt #: 192 total cpu time spent up to now is 122.8 secs Computing kpt #: 193 total cpu time spent up to now is 123.5 secs Computing kpt #: 194 total cpu time spent up to now is 124.1 secs Computing kpt #: 195 total cpu time spent up to now is 124.8 secs Computing kpt #: 196 total cpu time spent up to now is 125.5 secs Computing kpt #: 197 total cpu time spent up to now is 126.2 secs Computing kpt #: 198 total cpu time spent up to now is 127.0 secs Computing kpt #: 199 total cpu time spent up to now is 127.6 secs Computing kpt #: 200 total cpu time spent up to now is 128.2 secs Computing kpt #: 201 total cpu time spent up to now is 128.9 secs Computing kpt #: 202 total cpu time spent up to now is 129.7 secs Computing kpt #: 203 total cpu time spent up to now is 130.3 secs Computing kpt #: 204 total cpu time spent up to now is 130.9 secs Computing kpt #: 205 total cpu time spent up to now is 131.6 secs Computing kpt #: 206 total cpu time spent up to now is 132.2 secs Computing kpt #: 207 total cpu time spent up to now is 132.9 secs Computing kpt #: 208 total cpu time spent up to now is 133.5 secs Computing kpt #: 209 total cpu time spent up to now is 134.1 secs Computing kpt #: 210 total cpu time spent up to now is 134.7 secs Computing kpt #: 211 total cpu time spent up to now is 135.3 secs Computing kpt #: 212 total cpu time spent up to now is 138.7 secs Computing kpt #: 213 total cpu time spent up to now is 139.3 secs Computing kpt #: 214 total cpu time spent up to now is 140.0 secs Computing kpt #: 215 total cpu time spent up to now is 140.7 secs Computing kpt #: 216 total cpu time spent up to now is 144.2 secs Computing kpt #: 217 total cpu time spent up to now is 144.9 secs Computing kpt #: 218 total cpu time spent up to now is 145.4 secs Computing kpt #: 219 total cpu time spent up to now is 146.0 secs Computing kpt #: 220 total cpu time spent up to now is 146.5 secs Computing kpt #: 221 total cpu time spent up to now is 147.1 secs Computing kpt #: 222 total cpu time spent up to now is 147.6 secs Computing kpt #: 223 total cpu time spent up to now is 148.4 secs Computing kpt #: 224 total cpu time spent up to now is 149.0 secs Computing kpt #: 225 total cpu time spent up to now is 149.6 secs Computing kpt #: 226 total cpu time spent up to now is 150.1 secs Computing kpt #: 227 total cpu time spent up to now is 150.6 secs Computing kpt #: 228 total cpu time spent up to now is 151.2 secs Computing kpt #: 229 total cpu time spent up to now is 151.7 secs Computing kpt #: 230 total cpu time spent up to now is 152.1 secs Computing kpt #: 231 total cpu time spent up to now is 152.6 secs Computing kpt #: 232 total cpu time spent up to now is 153.1 secs Computing kpt #: 233 total cpu time spent up to now is 153.7 secs Computing kpt #: 234 total cpu time spent up to now is 154.3 secs Computing kpt #: 235 total cpu time spent up to now is 154.7 secs Computing kpt #: 236 total cpu time spent up to now is 155.4 secs Computing kpt #: 237 total cpu time spent up to now is 156.0 secs Computing kpt #: 238 total cpu time spent up to now is 156.6 secs Computing kpt #: 239 total cpu time spent up to now is 157.1 secs Computing kpt #: 240 total cpu time spent up to now is 157.7 secs Computing kpt #: 241 total cpu time spent up to now is 158.2 secs Computing kpt #: 242 total cpu time spent up to now is 158.7 secs Computing kpt #: 243 total cpu time spent up to now is 159.2 secs Computing kpt #: 244 total cpu time spent up to now is 159.8 secs Computing kpt #: 245 total cpu time spent up to now is 160.4 secs Computing kpt #: 246 total cpu time spent up to now is 160.9 secs Computing kpt #: 247 total cpu time spent up to now is 161.5 secs Computing kpt #: 248 total cpu time spent up to now is 162.1 secs Computing kpt #: 249 total cpu time spent up to now is 162.6 secs Computing kpt #: 250 total cpu time spent up to now is 163.1 secs Computing kpt #: 251 total cpu time spent up to now is 163.6 secs Computing kpt #: 252 total cpu time spent up to now is 164.2 secs Computing kpt #: 253 total cpu time spent up to now is 164.8 secs Computing kpt #: 254 total cpu time spent up to now is 165.3 secs Computing kpt #: 255 total cpu time spent up to now is 165.8 secs Computing kpt #: 256 total cpu time spent up to now is 166.4 secs Computing kpt #: 257 total cpu time spent up to now is 167.0 secs Computing kpt #: 258 total cpu time spent up to now is 167.5 secs Computing kpt #: 259 total cpu time spent up to now is 168.0 secs Computing kpt #: 260 total cpu time spent up to now is 168.5 secs Computing kpt #: 261 total cpu time spent up to now is 169.1 secs Computing kpt #: 262 total cpu time spent up to now is 169.6 secs Computing kpt #: 263 total cpu time spent up to now is 170.0 secs Computing kpt #: 264 total cpu time spent up to now is 170.6 secs Computing kpt #: 265 total cpu time spent up to now is 171.1 secs Computing kpt #: 266 total cpu time spent up to now is 171.8 secs Computing kpt #: 267 total cpu time spent up to now is 172.3 secs Computing kpt #: 268 total cpu time spent up to now is 172.8 secs Computing kpt #: 269 total cpu time spent up to now is 173.4 secs Computing kpt #: 270 total cpu time spent up to now is 173.9 secs Computing kpt #: 271 total cpu time spent up to now is 174.4 secs Computing kpt #: 272 total cpu time spent up to now is 175.0 secs Computing kpt #: 273 total cpu time spent up to now is 175.5 secs Computing kpt #: 274 total cpu time spent up to now is 179.5 secs Computing kpt #: 275 total cpu time spent up to now is 180.1 secs Computing kpt #: 276 total cpu time spent up to now is 180.7 secs Computing kpt #: 277 total cpu time spent up to now is 181.2 secs Computing kpt #: 278 total cpu time spent up to now is 181.9 secs Computing kpt #: 279 total cpu time spent up to now is 182.5 secs Computing kpt #: 280 total cpu time spent up to now is 183.2 secs Computing kpt #: 281 total cpu time spent up to now is 184.0 secs Computing kpt #: 282 total cpu time spent up to now is 184.8 secs Computing kpt #: 283 total cpu time spent up to now is 185.5 secs Computing kpt #: 284 total cpu time spent up to now is 186.2 secs Computing kpt #: 285 total cpu time spent up to now is 187.0 secs Computing kpt #: 286 total cpu time spent up to now is 187.7 secs Computing kpt #: 287 total cpu time spent up to now is 188.5 secs Computing kpt #: 288 total cpu time spent up to now is 189.1 secs Computing kpt #: 289 total cpu time spent up to now is 189.7 secs Computing kpt #: 290 total cpu time spent up to now is 190.4 secs Computing kpt #: 291 total cpu time spent up to now is 191.1 secs Computing kpt #: 292 total cpu time spent up to now is 191.8 secs Computing kpt #: 293 total cpu time spent up to now is 192.4 secs Computing kpt #: 294 total cpu time spent up to now is 193.0 secs Computing kpt #: 295 total cpu time spent up to now is 193.6 secs Computing kpt #: 296 total cpu time spent up to now is 194.1 secs Computing kpt #: 297 total cpu time spent up to now is 194.8 secs Computing kpt #: 298 total cpu time spent up to now is 195.5 secs Computing kpt #: 299 total cpu time spent up to now is 196.0 secs Computing kpt #: 300 total cpu time spent up to now is 196.6 secs Computing kpt #: 301 total cpu time spent up to now is 197.2 secs Computing kpt #: 302 total cpu time spent up to now is 197.8 secs Computing kpt #: 303 total cpu time spent up to now is 198.4 secs Computing kpt #: 304 total cpu time spent up to now is 199.0 secs Computing kpt #: 305 total cpu time spent up to now is 199.6 secs Computing kpt #: 306 total cpu time spent up to now is 200.2 secs Computing kpt #: 307 total cpu time spent up to now is 200.6 secs Computing kpt #: 308 total cpu time spent up to now is 201.2 secs Computing kpt #: 309 total cpu time spent up to now is 201.8 secs Computing kpt #: 310 total cpu time spent up to now is 202.3 secs Computing kpt #: 311 total cpu time spent up to now is 202.8 secs Computing kpt #: 312 total cpu time spent up to now is 203.2 secs Computing kpt #: 313 total cpu time spent up to now is 204.0 secs Computing kpt #: 314 total cpu time spent up to now is 204.6 secs Computing kpt #: 315 total cpu time spent up to now is 205.1 secs Computing kpt #: 316 total cpu time spent up to now is 205.6 secs Computing kpt #: 317 total cpu time spent up to now is 208.7 secs Computing kpt #: 318 total cpu time spent up to now is 209.2 secs Computing kpt #: 319 total cpu time spent up to now is 209.9 secs Computing kpt #: 320 total cpu time spent up to now is 210.4 secs Computing kpt #: 321 total cpu time spent up to now is 210.9 secs Computing kpt #: 322 total cpu time spent up to now is 211.5 secs Computing kpt #: 323 total cpu time spent up to now is 212.0 secs Computing kpt #: 324 total cpu time spent up to now is 212.6 secs Computing kpt #: 325 total cpu time spent up to now is 213.1 secs Computing kpt #: 326 total cpu time spent up to now is 213.7 secs Computing kpt #: 327 total cpu time spent up to now is 214.3 secs Computing kpt #: 328 total cpu time spent up to now is 214.9 secs Computing kpt #: 329 total cpu time spent up to now is 215.4 secs Computing kpt #: 330 total cpu time spent up to now is 215.9 secs Computing kpt #: 331 total cpu time spent up to now is 216.4 secs Computing kpt #: 332 total cpu time spent up to now is 217.1 secs Computing kpt #: 333 total cpu time spent up to now is 217.7 secs Computing kpt #: 334 total cpu time spent up to now is 218.3 secs Computing kpt #: 335 total cpu time spent up to now is 218.9 secs Computing kpt #: 336 total cpu time spent up to now is 219.6 secs Computing kpt #: 337 total cpu time spent up to now is 220.0 secs Computing kpt #: 338 total cpu time spent up to now is 220.4 secs Computing kpt #: 339 total cpu time spent up to now is 220.8 secs Computing kpt #: 340 total cpu time spent up to now is 221.2 secs Computing kpt #: 341 total cpu time spent up to now is 221.7 secs Computing kpt #: 342 total cpu time spent up to now is 222.1 secs Computing kpt #: 343 total cpu time spent up to now is 222.5 secs Computing kpt #: 344 total cpu time spent up to now is 223.0 secs Computing kpt #: 345 total cpu time spent up to now is 223.4 secs Computing kpt #: 346 total cpu time spent up to now is 223.9 secs Computing kpt #: 347 total cpu time spent up to now is 224.4 secs Computing kpt #: 348 total cpu time spent up to now is 224.8 secs Computing kpt #: 349 total cpu time spent up to now is 225.3 secs Computing kpt #: 350 total cpu time spent up to now is 225.7 secs Computing kpt #: 351 total cpu time spent up to now is 226.2 secs Computing kpt #: 352 total cpu time spent up to now is 226.6 secs Computing kpt #: 353 total cpu time spent up to now is 227.1 secs Computing kpt #: 354 total cpu time spent up to now is 227.6 secs Computing kpt #: 355 total cpu time spent up to now is 228.0 secs Computing kpt #: 356 total cpu time spent up to now is 228.5 secs Computing kpt #: 357 total cpu time spent up to now is 229.0 secs Computing kpt #: 358 total cpu time spent up to now is 229.4 secs Computing kpt #: 359 total cpu time spent up to now is 229.9 secs Computing kpt #: 360 total cpu time spent up to now is 230.5 secs Computing kpt #: 361 total cpu time spent up to now is 231.0 secs Computing kpt #: 362 total cpu time spent up to now is 231.7 secs Computing kpt #: 363 total cpu time spent up to now is 232.4 secs Computing kpt #: 364 total cpu time spent up to now is 232.9 secs Computing kpt #: 365 total cpu time spent up to now is 233.4 secs ethr = 2.78E-08, avg # of iterations = 15.0 total cpu time spent up to now is 233.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3283 PWs) bands (ev): -6.5211 -6.5211 -5.1914 -5.1914 1.5903 1.5903 3.9425 3.9425 3.9460 3.9460 4.3281 4.3281 4.3418 4.3418 4.4599 4.4599 5.0961 5.0961 5.8701 5.8701 5.9218 5.9218 6.3314 6.3314 6.3359 6.3359 6.5156 6.5156 6.7145 6.7145 6.9313 6.9313 8.1255 8.1255 8.5144 8.5144 9.8201 9.8201 10.7628 10.7628 11.4384 11.4384 12.7004 12.7004 k = 0.0000 0.0125-0.0000 ( 3281 PWs) bands (ev): -6.5203 -6.5203 -5.1914 -5.1914 1.5915 1.5915 3.9409 3.9409 3.9450 3.9450 4.3279 4.3279 4.3410 4.3410 4.4579 4.4579 5.0966 5.0966 5.8694 5.8694 5.9227 5.9227 6.3302 6.3302 6.3338 6.3338 6.5125 6.5125 6.7147 6.7147 6.9360 6.9360 8.1224 8.1224 8.5089 8.5089 9.8290 9.8290 10.7667 10.7667 11.4372 11.4372 12.7026 12.7026 k = 0.0000 0.0250-0.0000 ( 3273 PWs) bands (ev): -6.5179 -6.5179 -5.1915 -5.1915 1.5952 1.5952 3.9359 3.9359 3.9423 3.9423 4.3272 4.3272 4.3387 4.3387 4.4522 4.4522 5.0980 5.0980 5.8674 5.8674 5.9252 5.9252 6.3228 6.3228 6.3311 6.3311 6.5043 6.5043 6.7154 6.7154 6.9492 6.9492 8.1126 8.1126 8.4932 8.4932 9.8551 9.8551 10.7786 10.7786 11.4338 11.4338 12.7094 12.7094 k = 0.0000 0.0375-0.0000 ( 3269 PWs) bands (ev): -6.5140 -6.5140 -5.1916 -5.1916 1.6013 1.6013 3.9268 3.9268 3.9380 3.9380 4.3246 4.3246 4.3362 4.3362 4.4431 4.4431 5.1003 5.1003 5.8644 5.8644 5.9290 5.9290 6.3085 6.3085 6.3289 6.3289 6.4929 6.4929 6.7165 6.7165 6.9686 6.9686 8.0957 8.0957 8.4698 8.4698 9.8964 9.8964 10.7981 10.7981 11.4283 11.4283 12.7208 12.7208 k = 0.0000 0.0500-0.0000 ( 3271 PWs) bands (ev): -6.5085 -6.5085 -5.1918 -5.1918 1.6098 1.6098 3.9135 3.9135 3.9318 3.9318 4.3189 4.3189 4.3349 4.3349 4.4313 4.4313 5.1035 5.1035 5.8606 5.8606 5.9335 5.9335 6.2888 6.2888 6.3260 6.3260 6.4804 6.4804 6.7180 6.7180 6.9917 6.9917 8.0708 8.0708 8.4419 8.4419 9.9504 9.9504 10.8248 10.8248 11.4210 11.4210 12.7367 12.7367 k = 0.0000 0.0625-0.0000 ( 3271 PWs) bands (ev): -6.5015 -6.5015 -5.1922 -5.1922 1.6207 1.6207 3.8955 3.8955 3.9235 3.9235 4.3105 4.3105 4.3346 4.3346 4.4179 4.4179 5.1076 5.1076 5.8563 5.8563 5.9386 5.9386 6.2649 6.2649 6.3223 6.3223 6.4681 6.4681 6.7198 6.7198 7.0158 7.0158 8.0375 8.0375 8.4128 8.4128 10.0143 10.0143 10.8582 10.8582 11.4125 11.4125 12.7565 12.7565 k = 0.0000 0.0750-0.0000 ( 3279 PWs) bands (ev): -6.4929 -6.4929 -5.1926 -5.1926 1.6340 1.6340 3.8724 3.8724 3.9129 3.9129 4.3002 4.3002 4.3345 4.3345 4.4038 4.4038 5.1127 5.1127 5.8515 5.8515 5.9439 5.9439 6.2381 6.2381 6.3177 6.3177 6.4564 6.4564 6.7222 6.7222 7.0392 7.0392 7.9958 7.9958 8.3847 8.3847 10.0859 10.0859 10.8973 10.8973 11.4034 11.4034 12.7792 12.7792 k = 0.0000 0.0875-0.0000 ( 3273 PWs) bands (ev): -6.4828 -6.4828 -5.1932 -5.1932 1.6497 1.6497 3.8438 3.8438 3.8995 3.8995 4.2887 4.2887 4.3340 4.3340 4.3905 4.3905 5.1187 5.1187 5.8464 5.8464 5.9490 5.9490 6.2104 6.2104 6.3125 6.3125 6.4453 6.4453 6.7250 6.7250 7.0602 7.0602 7.9465 7.9465 8.3589 8.3589 10.1629 10.1629 10.9411 10.9411 11.3947 11.3947 12.8041 12.8041 k = 0.0000 0.1000-0.0000 ( 3275 PWs) bands (ev): -6.4712 -6.4712 -5.1939 -5.1939 1.6677 1.6677 3.8094 3.8094 3.8832 3.8832 4.2763 4.2763 4.3324 4.3324 4.3792 4.3792 5.1256 5.1256 5.8408 5.8408 5.9538 5.9538 6.1827 6.1827 6.3064 6.3064 6.4345 6.4345 6.7285 6.7285 7.0780 7.0780 7.8912 7.8912 8.3355 8.3355 10.2437 10.2437 10.9881 10.9881 11.3876 11.3876 12.8317 12.8317 k = 0.0000 0.1125-0.0000 ( 3275 PWs) bands (ev): -6.4581 -6.4581 -5.1949 -5.1949 1.6881 1.6881 3.7693 3.7693 3.8635 3.8635 4.2636 4.2636 4.3293 4.3293 4.3712 4.3712 5.1334 5.1334 5.8347 5.8347 5.9578 5.9578 6.1565 6.1565 6.2995 6.2995 6.4236 6.4236 6.7326 6.7326 7.0917 7.0917 7.8315 7.8315 8.3140 8.3140 10.3271 10.3271 11.0361 11.0361 11.3838 11.3838 12.8623 12.8623 k = 0.0000 0.1250-0.0000 ( 3267 PWs) bands (ev): -6.4435 -6.4435 -5.1961 -5.1961 1.7107 1.7107 3.7237 3.7237 3.8401 3.8401 4.2510 4.2510 4.3245 4.3245 4.3668 4.3668 5.1421 5.1421 5.8281 5.8281 5.9608 5.9608 6.1325 6.1325 6.2918 6.2918 6.4125 6.4125 6.7375 6.7375 7.1011 7.1011 7.7693 7.7693 8.2937 8.2937 10.4119 10.4119 11.0824 11.0824 11.3856 11.3856 12.8961 12.8961 k = 0.0000 0.1375-0.0000 ( 3257 PWs) bands (ev): -6.4276 -6.4276 -5.1976 -5.1976 1.7356 1.7356 3.6732 3.6732 3.8130 3.8130 4.2386 4.2386 4.3191 4.3191 4.3650 4.3650 5.1516 5.1516 5.8209 5.8209 5.9623 5.9623 6.1116 6.1116 6.2833 6.2833 6.4011 6.4011 6.7432 6.7432 7.1057 7.1057 7.7057 7.7057 8.2740 8.2740 10.4975 10.4975 11.1238 11.1238 11.3958 11.3958 12.9332 12.9332 k = 0.0000 0.1500-0.0000 ( 3247 PWs) bands (ev): -6.4102 -6.4102 -5.1995 -5.1995 1.7627 1.7627 3.6185 3.6185 3.7818 3.7818 4.2268 4.2268 4.3140 4.3140 4.3650 4.3650 5.1621 5.1621 5.8130 5.8130 5.9618 5.9618 6.0944 6.0944 6.2740 6.2740 6.3891 6.3891 6.7497 6.7497 7.1058 7.1058 7.6421 7.6421 8.2543 8.2543 10.5833 10.5833 11.1570 11.1570 11.4172 11.4172 12.9736 12.9736 k = 0.0000 0.1625-0.0000 ( 3247 PWs) bands (ev): -6.3916 -6.3916 -5.2018 -5.2018 1.7920 1.7920 3.5604 3.5604 3.7468 3.7468 4.2157 4.2157 4.3098 4.3098 4.3658 4.3658 5.1734 5.1734 5.8044 5.8044 5.9592 5.9592 6.0810 6.0810 6.2638 6.2638 6.3764 6.3764 6.7570 6.7570 7.1014 7.1014 7.5792 7.5792 8.2342 8.2342 10.6687 10.6687 11.1811 11.1811 11.4502 11.4502 13.0172 13.0172 k = 0.0000 0.1750-0.0000 ( 3247 PWs) bands (ev): -6.3716 -6.3716 -5.2046 -5.2046 1.8234 1.8234 3.4997 3.4997 3.7080 3.7080 4.2051 4.2051 4.3067 4.3067 4.3669 4.3669 5.1854 5.1854 5.7952 5.7952 5.9545 5.9545 6.0714 6.0714 6.2528 6.2528 6.3630 6.3630 6.7654 6.7654 7.0928 7.0928 7.5177 7.5177 8.2135 8.2135 10.7535 10.7535 11.1980 11.1980 11.4928 11.4928 13.0640 13.0640 k = 0.0000 0.1875-0.0000 ( 3249 PWs) bands (ev): -6.3503 -6.3503 -5.2078 -5.2078 1.8568 1.8568 3.4373 3.4373 3.6656 3.6656 4.1950 4.1950 4.3048 4.3048 4.3682 4.3682 5.1983 5.1983 5.7853 5.7853 5.9482 5.9482 6.0649 6.0649 6.2412 6.2412 6.3489 6.3489 6.7746 6.7746 7.0804 7.0804 7.4580 7.4580 8.1919 8.1919 10.8373 10.8373 11.2109 11.2109 11.5415 11.5415 13.1139 13.1139 k = 0.0000 0.2000-0.0000 ( 3249 PWs) bands (ev): -6.3278 -6.3278 -5.2117 -5.2117 1.8921 1.8921 3.3741 3.3741 3.6200 3.6200 4.1852 4.1852 4.3039 4.3039 4.3694 4.3694 5.2121 5.2121 5.7750 5.7750 5.9411 5.9411 6.0604 6.0604 6.2290 6.2290 6.3341 6.3341 6.7848 6.7848 7.0649 7.0649 7.4005 7.4005 8.1693 8.1693 10.9199 10.9199 11.2228 11.2228 11.5933 11.5933 13.1668 13.1668 k = 0.0000 0.2125-0.0000 ( 3244 PWs) bands (ev): -6.3041 -6.3041 -5.2162 -5.2162 1.9292 1.9292 3.3109 3.3109 3.5715 3.5715 4.1755 4.1755 4.3038 4.3038 4.3704 4.3704 5.2266 5.2266 5.7645 5.7645 5.9336 5.9336 6.0573 6.0573 6.2161 6.2161 6.3187 6.3187 6.7959 6.7959 7.0467 7.0467 7.3454 7.3454 8.1458 8.1458 11.0010 11.0010 11.2357 11.2357 11.6462 11.6462 13.2226 13.2226 k = 0.0000 0.2250-0.0000 ( 3236 PWs) bands (ev): -6.2793 -6.2793 -5.2214 -5.2214 1.9680 1.9680 3.2484 3.2484 3.5206 3.5206 4.1656 4.1656 4.3046 4.3046 4.3711 4.3711 5.2418 5.2418 5.7539 5.7539 5.9262 5.9262 6.0548 6.0548 6.2026 6.2026 6.3026 6.3026 6.8080 6.8080 7.0265 7.0265 7.2928 7.2928 8.1211 8.1211 11.0799 11.0799 11.2515 11.2515 11.6990 11.6990 13.2812 13.2812 k = 0.0000 0.2375-0.0000 ( 3240 PWs) bands (ev): -6.2535 -6.2535 -5.2274 -5.2274 2.0083 2.0083 3.1872 3.1872 3.4677 3.4677 4.1551 4.1551 4.3059 4.3059 4.3715 4.3715 5.2577 5.2577 5.7433 5.7433 5.9190 5.9190 6.0521 6.0521 6.1886 6.1886 6.2857 6.2857 6.8208 6.8208 7.0050 7.0050 7.2429 7.2429 8.0955 8.0955 11.1552 11.1552 11.2722 11.2722 11.7512 11.7512 13.3425 13.3425 k = 0.0000 0.2500-0.0000 ( 3244 PWs) bands (ev): -6.2266 -6.2266 -5.2342 -5.2342 2.0500 2.0500 3.1282 3.1282 3.4131 3.4131 4.1437 4.1437 4.3077 4.3077 4.3715 4.3715 5.2741 5.2741 5.7330 5.7330 5.9122 5.9122 6.0491 6.0491 6.1742 6.1742 6.2683 6.2683 6.8341 6.8341 6.9830 6.9830 7.1958 7.1958 8.0688 8.0688 11.2224 11.2224 11.3029 11.3029 11.8023 11.8023 13.4063 13.4063 k = 0.0000 0.2625-0.0000 ( 3244 PWs) bands (ev): -6.1988 -6.1988 -5.2419 -5.2419 2.0926 2.0926 3.0720 3.0720 3.3572 3.3572 4.1311 4.1311 4.3098 4.3098 4.3711 4.3711 5.2912 5.2912 5.7233 5.7233 5.9059 5.9059 6.0451 6.0451 6.1595 6.1595 6.2503 6.2503 6.8474 6.8474 6.9616 6.9616 7.1515 7.1515 8.0410 8.0410 11.2733 11.2733 11.3518 11.3518 11.8522 11.8522 13.4726 13.4726 k = 0.0000 0.2750-0.0000 ( 3244 PWs) bands (ev): -6.1702 -6.1702 -5.2505 -5.2505 2.1360 2.1360 3.0193 3.0193 3.3005 3.3005 4.1168 4.1168 4.3123 4.3123 4.3704 4.3704 5.3090 5.3090 5.7142 5.7142 5.8999 5.8999 6.0403 6.0403 6.1446 6.1446 6.2318 6.2318 6.8588 6.8588 6.9428 6.9428 7.1103 7.1103 8.0124 8.0124 11.3104 11.3104 11.4165 11.4165 11.9009 11.9009 13.5409 13.5409 k = 0.0000 0.2875-0.0000 ( 3250 PWs) bands (ev): -6.1407 -6.1407 -5.2602 -5.2602 2.1795 2.1795 2.9708 2.9708 3.2434 3.2434 4.1006 4.1006 4.3149 4.3149 4.3694 4.3694 5.3272 5.3272 5.7059 5.7059 5.8942 5.8942 6.0343 6.0343 6.1296 6.1296 6.2130 6.2130 6.8643 6.8643 6.9311 6.9311 7.0722 7.0722 7.9827 7.9827 11.3442 11.3442 11.4864 11.4864 11.9484 11.9484 13.6106 13.6106 k = 0.0000 0.3000-0.0000 ( 3254 PWs) bands (ev): -6.1106 -6.1106 -5.2709 -5.2709 2.2226 2.2226 2.9275 2.9275 3.1863 3.1863 4.0821 4.0821 4.3177 4.3177 4.3681 4.3681 5.3460 5.3460 5.6984 5.6984 5.8888 5.8888 6.0272 6.0272 6.1145 6.1145 6.1937 6.1937 6.8587 6.8587 6.9313 6.9313 7.0383 7.0383 7.9522 7.9522 11.3792 11.3792 11.5569 11.5569 11.9947 11.9947 13.6758 13.6758 k = 0.0000 0.3125-0.0000 ( 3252 PWs) bands (ev): -6.0798 -6.0798 -5.2827 -5.2827 2.2644 2.2644 2.8904 2.8904 3.1297 3.1297 4.0609 4.0609 4.3205 4.3205 4.3668 4.3668 5.3652 5.3652 5.6919 5.6919 5.8837 5.8837 6.0191 6.0191 6.0994 6.0994 6.1743 6.1743 6.8447 6.8447 6.9388 6.9388 7.0105 7.0105 7.9209 7.9209 11.4165 11.4165 11.6266 11.6266 12.0399 12.0399 13.6648 13.6648 k = 0.0000 0.3250-0.0000 ( 3252 PWs) bands (ev): -6.0484 -6.0484 -5.2956 -5.2956 2.3036 2.3036 2.8606 2.8606 3.0740 3.0740 4.0367 4.0367 4.3233 4.3233 4.3654 4.3654 5.3849 5.3849 5.6864 5.6864 5.8788 5.8788 6.0101 6.0101 6.0844 6.0844 6.1547 6.1547 6.8279 6.8279 6.9400 6.9400 6.9972 6.9972 7.8888 7.8888 11.4566 11.4566 11.6948 11.6948 12.0839 12.0839 13.6007 13.6007 k = 0.0000 0.3375-0.0000 ( 3244 PWs) bands (ev): -6.0165 -6.0165 -5.3097 -5.3097 2.3388 2.3388 2.8395 2.8395 3.0200 3.0200 4.0094 4.0094 4.3262 4.3262 4.3640 4.3640 5.4048 5.4048 5.6820 5.6820 5.8740 5.8740 6.0004 6.0004 6.0693 6.0693 6.1352 6.1352 6.8111 6.8111 6.9252 6.9252 7.0053 7.0053 7.8559 7.8559 11.4996 11.4996 11.7608 11.7608 12.1267 12.1267 13.5290 13.5290 k = 0.0000 0.3500-0.0000 ( 3236 PWs) bands (ev): -5.9843 -5.9843 -5.3250 -5.3250 2.3684 2.3684 2.8278 2.8278 2.9687 2.9687 3.9787 3.9787 4.3289 4.3289 4.3627 4.3627 5.4250 5.4250 5.6785 5.6785 5.8694 5.8694 5.9905 5.9905 6.0541 6.0541 6.1159 6.1159 6.7953 6.7953 6.9039 6.9039 7.0245 7.0245 7.8224 7.8224 11.5454 11.5454 11.8244 11.8244 12.1683 12.1683 13.4533 13.4533 k = 0.0000 0.3625-0.0000 ( 3238 PWs) bands (ev): -5.9517 -5.9517 -5.3415 -5.3415 2.3911 2.3911 2.8239 2.8239 2.9235 2.9235 3.9445 3.9445 4.3315 4.3315 4.3615 4.3615 5.4453 5.4453 5.6758 5.6758 5.8649 5.8649 5.9805 5.9805 6.0387 6.0387 6.0970 6.0970 6.7809 6.7809 6.8822 6.8822 7.0479 7.0479 7.7882 7.7882 11.5938 11.5938 11.8851 11.8851 12.2085 12.2085 13.3750 13.3750 k = 0.0000 0.3750-0.0000 ( 3242 PWs) bands (ev): -5.9190 -5.9190 -5.3593 -5.3593 2.4067 2.4067 2.8160 2.8160 2.8968 2.8968 3.9068 3.9068 4.3341 4.3341 4.3603 4.3603 5.4657 5.4657 5.6740 5.6740 5.8604 5.8604 5.9709 5.9709 6.0229 6.0229 6.0787 6.0787 6.7683 6.7683 6.8616 6.8616 7.0736 7.0736 7.7535 7.7535 11.6447 11.6447 11.9423 11.9423 12.2473 12.2473 13.2949 13.2949 k = 0.0000 0.3875-0.0000 ( 3242 PWs) bands (ev): -5.8861 -5.8861 -5.3783 -5.3783 2.4161 2.4161 2.7872 2.7872 2.9047 2.9047 3.8657 3.8657 4.3364 4.3364 4.3594 4.3594 5.4860 5.4860 5.6729 5.6729 5.8561 5.8561 5.9621 5.9621 6.0068 6.0068 6.0611 6.0611 6.7577 6.7577 6.8426 6.8426 7.1010 7.1010 7.7183 7.7183 11.6979 11.6979 11.9956 11.9956 12.2846 12.2846 13.2139 13.2139 k = 0.0000 0.4000-0.0000 ( 3244 PWs) bands (ev): -5.8533 -5.8533 -5.3985 -5.3985 2.4212 2.4212 2.7474 2.7474 2.9355 2.9355 3.8214 3.8214 4.3387 4.3387 4.3585 4.3585 5.5062 5.5062 5.6722 5.6722 5.8521 5.8521 5.9542 5.9542 5.9904 5.9904 6.0446 6.0446 6.7489 6.7489 6.8253 6.8253 7.1297 7.1297 7.6827 7.6827 11.7529 11.7529 12.0442 12.0442 12.3202 12.3202 13.1327 13.1327 k = 0.0000 0.4125-0.0000 ( 3246 PWs) bands (ev): -5.8204 -5.8204 -5.4199 -5.4199 2.4242 2.4242 2.7062 2.7062 2.9779 2.9779 3.7739 3.7739 4.3408 4.3408 4.3576 4.3576 5.5260 5.5260 5.6717 5.6717 5.8485 5.8485 5.9474 5.9474 5.9742 5.9742 6.0292 6.0292 6.7420 6.7420 6.8095 6.8095 7.1596 7.1596 7.6468 7.6468 11.8094 11.8094 12.0876 12.0876 12.3542 12.3542 13.0523 13.0523 k = 0.0000 0.4250-0.0000 ( 3238 PWs) bands (ev): -5.7878 -5.7878 -5.4425 -5.4425 2.4268 2.4268 2.6663 2.6663 3.0271 3.0271 3.7235 3.7235 4.3428 4.3428 4.3569 4.3569 5.5454 5.5454 5.6710 5.6710 5.8456 5.8456 5.9407 5.9407 5.9593 5.9593 6.0150 6.0150 6.7370 6.7370 6.7954 6.7954 7.1907 7.1907 7.6107 7.6107 11.8668 11.8668 12.1249 12.1249 12.3867 12.3867 12.9732 12.9732 k = 0.0000 0.4375-0.0000 ( 3238 PWs) bands (ev): -5.7554 -5.7554 -5.4663 -5.4663 2.4304 2.4304 2.6288 2.6288 3.0809 3.0809 3.6706 3.6706 4.3446 4.3446 4.3561 4.3561 5.5641 5.5641 5.6696 5.6696 5.8438 5.8438 5.9311 5.9311 5.9490 5.9490 6.0019 6.0019 6.7336 6.7336 6.7827 6.7827 7.2226 7.2226 7.5743 7.5743 11.9242 11.9242 12.1552 12.1552 12.4178 12.4178 12.8966 12.8966 k = 0.0000 0.4500-0.0000 ( 3246 PWs) bands (ev): -5.7234 -5.7234 -5.4912 -5.4912 2.4360 2.4360 2.5941 2.5941 3.1377 3.1377 3.6154 3.6154 4.3463 4.3463 4.3554 4.3554 5.5819 5.5819 5.6672 5.6672 5.8436 5.8436 5.9173 5.9173 5.9451 5.9451 5.9901 5.9901 6.7319 6.7319 6.7715 6.7715 7.2554 7.2554 7.5379 7.5379 11.9807 11.9807 12.1772 12.1772 12.4481 12.4481 12.8232 12.8232 k = 0.0000 0.4625-0.0000 ( 3244 PWs) bands (ev): -5.6919 -5.6919 -5.5172 -5.5172 2.4442 2.4442 2.5625 2.5625 3.1967 3.1967 3.5582 3.5582 4.3478 4.3478 4.3546 4.3546 5.5987 5.5987 5.6633 5.6633 5.8453 5.8453 5.9026 5.9026 5.9447 5.9447 5.9795 5.9795 6.7318 6.7318 6.7617 6.7617 7.2890 7.2890 7.5015 7.5015 12.0347 12.0347 12.1899 12.1899 12.4785 12.4785 12.7545 12.7545 k = 0.0000 0.4750-0.0000 ( 3240 PWs) bands (ev): -5.6609 -5.6609 -5.5442 -5.5442 2.4554 2.4554 2.5342 2.5342 3.2570 3.2570 3.4995 3.4995 4.3493 4.3493 4.3537 4.3537 5.6140 5.6140 5.6575 5.6575 5.8493 5.8493 5.8885 5.8885 5.9466 5.9466 5.9701 5.9701 6.7333 6.7333 6.7533 6.7533 7.3233 7.3233 7.4653 7.4653 12.0842 12.0842 12.1919 12.1919 12.5106 12.5106 12.6916 12.6916 k = 0.0000 0.4875-0.0000 ( 3242 PWs) bands (ev): -5.6306 -5.6306 -5.5721 -5.5721 2.4699 2.4699 2.5093 2.5093 3.3179 3.3179 3.4396 3.4396 4.3505 4.3505 4.3528 4.3528 5.6278 5.6278 5.6497 5.6497 5.8558 5.8558 5.8756 5.8756 5.9502 5.9502 5.9621 5.9621 6.7362 6.7362 6.7462 6.7462 7.3582 7.3582 7.4293 7.4293 12.1269 12.1269 12.1821 12.1821 12.5462 12.5462 12.6357 12.6357 k = 0.0000 0.5000-0.0000 ( 3248 PWs) bands (ev): -5.6009 -5.6009 -5.6009 -5.6009 2.4878 2.4878 2.4878 2.4878 3.3789 3.3789 3.3789 3.3789 4.3517 4.3517 4.3517 4.3517 5.6397 5.6397 5.6397 5.6397 5.8646 5.8646 5.8646 5.8646 5.9553 5.9553 5.9553 5.9553 6.7405 6.7405 6.7405 6.7405 7.3935 7.3935 7.3935 7.3935 12.1602 12.1602 12.1602 12.1602 12.5874 12.5874 12.5874 12.5874 k = 0.0000 0.5000-0.0000 ( 3248 PWs) bands (ev): -5.6009 -5.6009 -5.6009 -5.6009 2.4878 2.4878 2.4878 2.4878 3.3789 3.3789 3.3789 3.3789 4.3517 4.3517 4.3517 4.3517 5.6397 5.6397 5.6397 5.6397 5.8646 5.8646 5.8646 5.8646 5.9553 5.9553 5.9553 5.9553 6.7405 6.7405 6.7405 6.7405 7.3935 7.3935 7.3935 7.3935 12.1602 12.1602 12.1602 12.1602 12.5874 12.5874 12.5874 12.5874 k = 0.0125 0.5000-0.0000 ( 3246 PWs) bands (ev): -5.6005 -5.6005 -5.6004 -5.6004 2.4859 2.4859 2.4886 2.4886 3.3751 3.3751 3.3837 3.3837 4.3479 4.3479 4.3553 4.3553 5.6371 5.6371 5.6412 5.6412 5.8616 5.8616 5.8663 5.8663 5.9551 5.9551 5.9571 5.9571 6.7392 6.7392 6.7412 6.7412 7.3902 7.3902 7.3908 7.3908 12.1583 12.1583 12.1745 12.1745 12.5775 12.5775 12.5913 12.5913 k = 0.0250 0.5000-0.0000 ( 3242 PWs) bands (ev): -5.5991 -5.5991 -5.5990 -5.5990 2.4828 2.4828 2.4882 2.4882 3.3723 3.3723 3.3894 3.3894 4.3438 4.3438 4.3587 4.3587 5.6335 5.6335 5.6414 5.6414 5.8577 5.8577 5.8664 5.8664 5.9565 5.9565 5.9598 5.9598 6.7372 6.7372 6.7413 6.7413 7.3812 7.3812 7.3822 7.3822 12.1676 12.1676 12.2017 12.2017 12.5615 12.5615 12.5907 12.5907 k = 0.0375 0.5000-0.0000 ( 3238 PWs) bands (ev): -5.5967 -5.5967 -5.5966 -5.5966 2.4785 2.4785 2.4865 2.4865 3.3704 3.3704 3.3960 3.3960 4.3396 4.3396 4.3619 4.3619 5.6290 5.6290 5.6404 5.6404 5.8532 5.8532 5.8643 5.8643 5.9598 5.9598 5.9634 5.9634 6.7347 6.7347 6.7408 6.7408 7.3667 7.3667 7.3680 7.3680 12.1847 12.1847 12.2401 12.2401 12.5405 12.5405 12.5885 12.5885 k = 0.0500 0.5000-0.0000 ( 3242 PWs) bands (ev): -5.5935 -5.5935 -5.5933 -5.5933 2.4730 2.4730 2.4835 2.4835 3.3696 3.3696 3.4035 3.4035 4.3352 4.3352 4.3649 4.3649 5.6236 5.6236 5.6381 5.6381 5.8482 5.8482 5.8602 5.8602 5.9648 5.9648 5.9677 5.9677 6.7316 6.7316 6.7396 6.7396 7.3473 7.3473 7.3487 7.3487 12.2040 12.2040 12.2853 12.2853 12.5185 12.5185 12.5897 12.5897 k = 0.0625 0.5000-0.0000 ( 3250 PWs) bands (ev): -5.5893 -5.5893 -5.5891 -5.5891 2.4663 2.4663 2.4791 2.4791 3.3698 3.3698 3.4120 3.4120 4.3307 4.3307 4.3678 4.3678 5.6177 5.6177 5.6347 5.6347 5.8426 5.8426 5.8537 5.8537 5.9715 5.9715 5.9726 5.9726 6.7277 6.7277 6.7376 6.7376 7.3237 7.3237 7.3248 7.3248 12.2173 12.2173 12.3237 12.3237 12.5083 12.5083 12.6019 12.6019 k = 0.0750 0.5000-0.0000 ( 3240 PWs) bands (ev): -5.5842 -5.5842 -5.5840 -5.5840 2.4582 2.4582 2.4732 2.4732 3.3711 3.3711 3.4213 3.4213 4.3262 4.3262 4.3707 4.3707 5.6116 5.6116 5.6303 5.6303 5.8366 5.8366 5.8453 5.8453 5.9782 5.9782 5.9795 5.9795 6.7233 6.7233 6.7350 6.7350 7.2966 7.2966 7.2972 7.2972 12.2159 12.2159 12.3287 12.3287 12.5352 12.5352 12.6321 12.6321 k = 0.0875 0.5000-0.0000 ( 3244 PWs) bands (ev): -5.5783 -5.5783 -5.5780 -5.5780 2.4488 2.4488 2.4658 2.4658 3.3734 3.3734 3.4316 3.4316 4.3217 4.3217 4.3736 4.3736 5.6051 5.6051 5.6250 5.6250 5.8299 5.8299 5.8351 5.8351 5.9842 5.9842 5.9885 5.9885 6.7181 6.7181 6.7315 6.7315 7.2665 7.2665 7.2669 7.2669 12.1959 12.1959 12.2969 12.2969 12.6001 12.6001 12.6816 12.6816 k = 0.1000 0.5000-0.0000 ( 3246 PWs) bands (ev): -5.5715 -5.5715 -5.5712 -5.5712 2.4379 2.4379 2.4566 2.4566 3.3769 3.3769 3.4427 3.4427 4.3174 4.3174 4.3766 4.3766 5.5986 5.5986 5.6190 5.6190 5.8226 5.8226 5.8231 5.8231 5.9908 5.9908 5.9981 5.9981 6.7121 6.7121 6.7272 6.7272 7.2336 7.2336 7.2354 7.2354 12.1590 12.1590 12.2457 12.2457 12.6812 12.6812 12.7440 12.7440 k = 0.1125 0.5000-0.0000 ( 3238 PWs) bands (ev): -5.5639 -5.5639 -5.5636 -5.5636 2.4255 2.4255 2.4457 2.4457 3.3816 3.3816 3.4547 3.4547 4.3134 4.3134 4.3798 4.3798 5.5923 5.5923 5.6125 5.6125 5.8096 5.8096 5.8146 5.8146 5.9978 5.9978 6.0084 6.0084 6.7053 6.7053 6.7218 6.7218 7.1994 7.1994 7.2031 7.2031 12.1090 12.1090 12.1844 12.1844 12.7606 12.7606 12.8064 12.8064 k = 0.1250 0.5000-0.0000 ( 3238 PWs) bands (ev): -5.5556 -5.5556 -5.5552 -5.5552 2.4115 2.4115 2.4329 2.4329 3.3875 3.3875 3.4676 3.4676 4.3096 4.3096 4.3832 4.3832 5.5861 5.5861 5.6056 5.6056 5.7947 5.7947 5.8059 5.8059 6.0051 6.0051 6.0188 6.0188 6.6976 6.6976 6.7155 6.7155 7.1646 7.1646 7.1705 7.1705 12.0495 12.0495 12.1167 12.1167 12.8182 12.8182 12.8489 12.8489 k = 0.1375 0.5000-0.0000 ( 3242 PWs) bands (ev): -5.5465 -5.5465 -5.5461 -5.5461 2.3958 2.3958 2.4182 2.4182 3.3946 3.3946 3.4812 3.4812 4.3064 4.3064 4.3869 4.3869 5.5803 5.5803 5.5983 5.5983 5.7784 5.7784 5.7965 5.7965 6.0126 6.0126 6.0293 6.0293 6.6889 6.6889 6.7080 6.7080 7.1299 7.1299 7.1385 7.1385 11.9829 11.9829 12.0443 12.0443 12.8294 12.8294 12.8485 12.8485 k = 0.1500 0.5000-0.0000 ( 3248 PWs) bands (ev): -5.5367 -5.5367 -5.5363 -5.5363 2.3784 2.3784 2.4015 2.4015 3.4029 3.4029 3.4957 3.4957 4.3037 4.3037 4.3910 4.3910 5.5750 5.5750 5.5909 5.5909 5.7609 5.7609 5.7867 5.7867 6.0202 6.0202 6.0399 6.0399 6.6792 6.6792 6.6993 6.6993 7.0960 7.0960 7.1076 7.1076 11.9111 11.9111 11.9683 11.9683 12.7824 12.7824 12.7962 12.7962 k = 0.1625 0.5000-0.0000 ( 3244 PWs) bands (ev): -5.5263 -5.5263 -5.5259 -5.5259 2.3593 2.3593 2.3827 2.3827 3.4125 3.4125 3.5110 3.5110 4.3017 4.3017 4.3955 4.3955 5.5703 5.5703 5.5833 5.5833 5.7424 5.7424 5.7765 5.7765 6.0278 6.0278 6.0503 6.0503 6.6686 6.6686 6.6896 6.6896 7.0633 7.0633 7.0783 7.0783 11.8355 11.8355 11.8898 11.8898 12.6913 12.6913 12.7046 12.7046 k = 0.1750 0.5000-0.0000 ( 3252 PWs) bands (ev): -5.5154 -5.5154 -5.5149 -5.5149 2.3384 2.3384 2.3619 2.3619 3.4234 3.4234 3.5271 3.5271 4.3004 4.3004 4.4004 4.4004 5.5661 5.5661 5.5755 5.5755 5.7229 5.7229 5.7662 5.7662 6.0353 6.0353 6.0604 6.0604 6.6569 6.6569 6.6786 6.6786 7.0322 7.0322 7.0508 7.0508 11.7571 11.7571 11.8094 11.8094 12.5760 12.5760 12.5914 12.5914 k = 0.1875 0.5000-0.0000 ( 3254 PWs) bands (ev): -5.5038 -5.5038 -5.5033 -5.5033 2.3158 2.3158 2.3391 2.3391 3.4355 3.4355 3.5439 3.5439 4.3000 4.3000 4.4059 4.4059 5.5628 5.5628 5.5675 5.5675 5.7028 5.7028 5.7559 5.7559 6.0426 6.0426 6.0702 6.0702 6.6442 6.6442 6.6666 6.6666 7.0032 7.0032 7.0255 7.0255 11.6767 11.6767 11.7279 11.7279 12.4495 12.4495 12.4678 12.4678 k = 0.2000 0.5000-0.0000 ( 3256 PWs) bands (ev): -5.4919 -5.4919 -5.4913 -5.4913 2.2915 2.2915 2.3144 2.3144 3.4488 3.4488 3.5613 3.5613 4.3005 4.3005 4.4118 4.4118 5.5593 5.5593 5.5604 5.5604 5.6821 5.6821 5.7461 5.7461 6.0496 6.0496 6.0797 6.0797 6.6306 6.6306 6.6536 6.6536 6.9762 6.9762 7.0023 7.0023 11.5952 11.5952 11.6458 11.6458 12.3186 12.3186 12.3401 12.3401 k = 0.2125 0.5000-0.0000 ( 3260 PWs) bands (ev): -5.4795 -5.4795 -5.4790 -5.4790 2.2657 2.2657 2.2879 2.2879 3.4634 3.4634 3.5794 3.5794 4.3020 4.3020 4.4182 4.4182 5.5508 5.5508 5.5587 5.5587 5.6610 5.6610 5.7371 5.7371 6.0563 6.0563 6.0887 6.0887 6.6162 6.6162 6.6398 6.6398 6.9514 6.9514 6.9812 6.9812 11.5133 11.5133 11.5636 11.5636 12.1867 12.1867 12.2116 12.2116 k = 0.2250 0.5000-0.0000 ( 3268 PWs) bands (ev): -5.4668 -5.4668 -5.4662 -5.4662 2.2383 2.2383 2.2598 2.2598 3.4790 3.4790 3.5979 3.5979 4.3043 4.3043 4.4249 4.4249 5.5418 5.5418 5.5578 5.5578 5.6400 5.6400 5.7291 5.7291 6.0625 6.0625 6.0971 6.0971 6.6010 6.6010 6.6253 6.6253 6.9288 6.9288 6.9621 6.9621 11.4314 11.4314 11.4818 11.4818 12.0561 12.0561 12.0842 12.0842 k = 0.2375 0.5000-0.0000 ( 3264 PWs) bands (ev): -5.4538 -5.4538 -5.4533 -5.4533 2.2097 2.2097 2.2302 2.2302 3.4958 3.4958 3.6170 3.6170 4.3077 4.3077 4.4321 4.4321 5.5322 5.5322 5.5573 5.5573 5.6197 5.6197 5.7226 5.7226 6.0682 6.0682 6.1051 6.1051 6.5853 6.5853 6.6103 6.6103 6.9083 6.9083 6.9448 6.9448 11.3501 11.3501 11.4008 11.4008 11.9278 11.9278 11.9592 11.9592 k = 0.2500 0.5000-0.0000 ( 3260 PWs) bands (ev): -5.4407 -5.4407 -5.4401 -5.4401 2.1799 2.1799 2.1994 2.1994 3.5135 3.5135 3.6365 3.6365 4.3119 4.3119 4.4395 4.4395 5.5220 5.5220 5.5562 5.5562 5.6014 5.6014 5.7179 5.7179 6.0734 6.0734 6.1124 6.1124 6.5691 6.5691 6.5950 6.5950 6.8898 6.8898 6.9291 6.9291 11.2699 11.2699 11.3212 11.3212 11.8027 11.8027 11.8374 11.8374 k = 0.2625 0.5000-0.0000 ( 3260 PWs) bands (ev): -5.4275 -5.4275 -5.4269 -5.4269 2.1492 2.1492 2.1676 2.1676 3.5322 3.5322 3.6562 3.6562 4.3170 4.3170 4.4470 4.4470 5.5110 5.5110 5.5510 5.5510 5.5886 5.5886 5.7152 5.7152 6.0780 6.0780 6.1192 6.1192 6.5527 6.5527 6.5794 6.5794 6.8730 6.8730 6.9147 6.9147 11.1912 11.1912 11.2431 11.2431 11.6815 11.6815 11.7194 11.7194 k = 0.2750 0.5000-0.0000 ( 3264 PWs) bands (ev): -5.4142 -5.4142 -5.4136 -5.4136 2.1179 2.1179 2.1351 2.1351 3.5516 3.5516 3.6761 3.6761 4.3228 4.3228 4.4546 4.4546 5.4992 5.4992 5.5383 5.5383 5.5851 5.5851 5.7147 5.7147 6.0819 6.0819 6.1252 6.1252 6.5361 6.5361 6.5638 6.5638 6.8577 6.8577 6.9014 6.9014 11.1143 11.1143 11.1671 11.1671 11.5646 11.5646 11.6055 11.6055 k = 0.2875 0.5000-0.0000 ( 3268 PWs) bands (ev): -5.4010 -5.4010 -5.4005 -5.4005 2.0861 2.0861 2.1022 2.1022 3.5717 3.5717 3.6960 3.6960 4.3295 4.3295 4.4622 4.4622 5.4868 5.4868 5.5208 5.5208 5.5882 5.5882 5.7165 5.7165 6.0853 6.0853 6.1306 6.1306 6.5193 6.5193 6.5481 6.5481 6.8439 6.8439 6.8890 6.8890 11.0397 11.0397 11.0933 11.0933 11.4523 11.4523 11.4961 11.4961 k = 0.3000 0.5000-0.0000 ( 3272 PWs) bands (ev): -5.3880 -5.3880 -5.3874 -5.3874 2.0542 2.0542 2.0691 2.0691 3.5923 3.5923 3.7158 3.7158 4.3367 4.3367 4.4695 4.4695 5.4739 5.4739 5.5020 5.5020 5.5948 5.5948 5.7207 5.7207 6.0880 6.0880 6.1354 6.1354 6.5025 6.5025 6.5323 6.5323 6.8313 6.8313 6.8774 6.8774 10.9677 10.9677 11.0221 11.0221 11.3451 11.3451 11.3916 11.3916 k = 0.3125 0.5000-0.0000 ( 3272 PWs) bands (ev): -5.3751 -5.3751 -5.3746 -5.3746 2.0225 2.0225 2.0361 2.0361 3.6134 3.6134 3.7352 3.7352 4.3445 4.3445 4.4765 4.4765 5.4605 5.4605 5.4830 5.4830 5.6037 5.6037 5.7270 5.7270 6.0902 6.0902 6.1396 6.1396 6.4855 6.4855 6.5164 6.5164 6.8200 6.8200 6.8664 6.8664 10.8986 10.8986 10.9537 10.9537 11.2432 11.2432 11.2922 11.2922 k = 0.3250 0.5000-0.0000 ( 3280 PWs) bands (ev): -5.3626 -5.3626 -5.3621 -5.3621 1.9911 1.9911 2.0036 2.0036 3.6347 3.6347 3.7543 3.7543 4.3528 4.3528 4.4830 4.4830 5.4469 5.4469 5.4644 5.4644 5.6145 5.6145 5.7355 5.7355 6.0918 6.0918 6.1431 6.1431 6.4684 6.4684 6.5003 6.5003 6.8098 6.8098 6.8560 6.8560 10.8327 10.8327 10.8883 10.8883 11.1470 11.1470 11.1980 11.1980 k = 0.3375 0.5000-0.0000 ( 3278 PWs) bands (ev): -5.3505 -5.3505 -5.3500 -5.3500 1.9605 1.9605 1.9719 1.9719 3.6562 3.6562 3.7726 3.7726 4.3614 4.3614 4.4889 4.4889 5.4334 5.4334 5.4466 5.4466 5.6271 5.6271 5.7459 5.7459 6.0930 6.0930 6.1462 6.1462 6.4513 6.4513 6.4841 6.4841 6.8007 6.8007 6.8461 6.8461 10.7703 10.7703 10.8262 10.8262 11.0566 11.0566 11.1094 11.1094 k = 0.3500 0.5000-0.0000 ( 3270 PWs) bands (ev): -5.3389 -5.3389 -5.3384 -5.3384 1.9309 1.9309 1.9412 1.9412 3.6776 3.6776 3.7901 3.7901 4.3704 4.3704 4.4941 4.4941 5.4200 5.4200 5.4296 5.4296 5.6412 5.6412 5.7580 5.7580 6.0938 6.0938 6.1488 6.1488 6.4341 6.4341 6.4676 6.4676 6.7926 6.7926 6.8367 6.8367 10.7116 10.7116 10.7675 10.7675 10.9724 10.9724 11.0264 11.0264 k = 0.3625 0.5000-0.0000 ( 3266 PWs) bands (ev): -5.3279 -5.3279 -5.3274 -5.3274 1.9025 1.9025 1.9118 1.9118 3.6988 3.6988 3.8066 3.8066 4.3796 4.3796 4.4985 4.4985 5.4069 5.4069 5.4136 5.4136 5.6566 5.6566 5.7714 5.7714 6.0945 6.0945 6.1510 6.1510 6.4168 6.4168 6.4507 6.4507 6.7855 6.7855 6.8278 6.8278 10.6569 10.6569 10.7123 10.7123 10.8946 10.8946 10.9492 10.9492 k = 0.3750 0.5000-0.0000 ( 3262 PWs) bands (ev): -5.3175 -5.3175 -5.3170 -5.3170 1.8757 1.8757 1.8840 1.8840 3.7196 3.7196 3.8218 3.8218 4.3889 4.3889 4.5020 4.5020 5.3943 5.3943 5.3986 5.3986 5.6734 5.6734 5.7858 5.7858 6.0950 6.0950 6.1528 6.1528 6.3994 6.3994 6.4335 6.4335 6.7794 6.7794 6.8193 6.8193 10.6064 10.6064 10.6609 10.6609 10.8236 10.8236 10.8780 10.8780 k = 0.3875 0.5000-0.0000 ( 3258 PWs) bands (ev): -5.3078 -5.3078 -5.3074 -5.3074 1.8507 1.8507 1.8580 1.8580 3.7399 3.7399 3.8355 3.8355 4.3984 4.3984 4.5045 4.5045 5.3823 5.3823 5.3849 5.3849 5.6912 5.6912 5.8008 5.8008 6.0956 6.0956 6.1543 6.1543 6.3821 6.3821 6.4158 6.4158 6.7742 6.7742 6.8113 6.8113 10.5604 10.5604 10.6131 10.6131 10.7594 10.7594 10.8128 10.8128 k = 0.4000 0.5000-0.0000 ( 3250 PWs) bands (ev): -5.2989 -5.2989 -5.2985 -5.2985 1.8277 1.8277 1.8340 1.8340 3.7594 3.7594 3.8476 3.8476 4.4079 4.4079 4.5059 4.5059 5.3712 5.3712 5.3724 5.3724 5.7100 5.7100 5.8157 5.8157 6.0965 6.0965 6.1554 6.1554 6.3651 6.3651 6.3977 6.3977 6.7700 6.7700 6.8039 6.8039 10.5190 10.5190 10.5692 10.5692 10.7025 10.7025 10.7538 10.7538 k = 0.4125 0.5000-0.0000 ( 3250 PWs) bands (ev): -5.2909 -5.2909 -5.2906 -5.2906 1.8069 1.8069 1.8124 1.8124 3.7781 3.7781 3.8578 3.8578 4.4175 4.4175 4.5062 4.5062 5.3610 5.3610 5.3612 5.3612 5.7293 5.7293 5.8299 5.8299 6.0981 6.0981 6.1563 6.1563 6.3486 6.3486 6.3794 6.3794 6.7666 6.7666 6.7969 6.7969 10.4824 10.4824 10.5291 10.5291 10.6530 10.6530 10.7011 10.7011 k = 0.4250 0.5000-0.0000 ( 3248 PWs) bands (ev): -5.2838 -5.2838 -5.2835 -5.2835 1.7885 1.7885 1.7931 1.7931 3.7956 3.7956 3.8660 3.8660 4.4270 4.4270 4.5053 4.5053 5.3514 5.3514 5.3518 5.3518 5.7490 5.7490 5.8426 5.8426 6.1007 6.1007 6.1569 6.1569 6.3329 6.3329 6.3610 6.3610 6.7641 6.7641 6.7905 6.7905 10.4509 10.4509 10.4930 10.4930 10.6109 10.6109 10.6547 10.6547 k = 0.4375 0.5000-0.0000 ( 3248 PWs) bands (ev): -5.2777 -5.2777 -5.2775 -5.2775 1.7727 1.7727 1.7765 1.7765 3.8119 3.8119 3.8721 3.8721 4.4364 4.4364 4.5034 4.5034 5.3430 5.3430 5.3437 5.3437 5.7685 5.7685 5.8530 5.8530 6.1046 6.1046 6.1572 6.1572 6.3184 6.3184 6.3430 6.3430 6.7623 6.7623 6.7847 6.7847 10.4245 10.4245 10.4612 10.4612 10.5764 10.5764 10.6147 10.6147 k = 0.4500 0.5000-0.0000 ( 3252 PWs) bands (ev): -5.2727 -5.2727 -5.2725 -5.2725 1.7597 1.7597 1.7627 1.7627 3.8267 3.8267 3.8759 3.8759 4.4455 4.4455 4.5004 4.5004 5.3361 5.3361 5.3369 5.3369 5.7876 5.7876 5.8601 5.8601 6.1101 6.1101 6.1568 6.1568 6.3055 6.3055 6.3258 6.3258 6.7614 6.7614 6.7795 6.7795 10.4035 10.4035 10.4338 10.4338 10.5493 10.5493 10.5811 10.5811 k = 0.4625 0.5000-0.0000 ( 3256 PWs) bands (ev): -5.2687 -5.2687 -5.2685 -5.2685 1.7495 1.7495 1.7517 1.7517 3.8399 3.8399 3.8775 3.8775 4.4544 4.4544 4.4963 4.4963 5.3307 5.3307 5.3315 5.3315 5.8058 5.8058 5.8635 5.8635 6.1172 6.1172 6.1556 6.1556 6.2949 6.2949 6.3103 6.3103 6.7612 6.7612 6.7749 6.7749 10.3879 10.3879 10.4112 10.4112 10.5295 10.5295 10.5539 10.5539 k = 0.4750 0.5000-0.0000 ( 3260 PWs) bands (ev): -5.2658 -5.2658 -5.2657 -5.2657 1.7422 1.7422 1.7437 1.7437 3.8514 3.8514 3.8767 3.8767 4.4630 4.4630 4.4912 4.4912 5.3269 5.3269 5.3275 5.3275 5.8225 5.8225 5.8627 5.8627 6.1255 6.1255 6.1529 6.1529 6.2872 6.2872 6.2974 6.2974 6.7617 6.7617 6.7709 6.7709 10.3779 10.3779 10.3936 10.3936 10.5167 10.5167 10.5333 10.5333 k = 0.4875 0.5000-0.0000 ( 3272 PWs) bands (ev): -5.2641 -5.2641 -5.2640 -5.2640 1.7380 1.7380 1.7387 1.7387 3.8609 3.8609 3.8736 3.8736 4.4710 4.4710 4.4852 4.4852 5.3246 5.3246 5.3250 5.3250 5.8371 5.8371 5.8578 5.8578 6.1340 6.1340 6.1484 6.1484 6.2830 6.2830 6.2881 6.2881 6.7629 6.7629 6.7675 6.7675 10.3735 10.3735 10.3814 10.3814 10.5108 10.5108 10.5192 10.5192 k = 0.5000 0.5000-0.0000 ( 3288 PWs) bands (ev): -5.2635 -5.2635 -5.2635 -5.2635 1.7368 1.7368 1.7368 1.7368 3.8683 3.8683 3.8683 3.8683 4.4784 4.4784 4.4784 4.4784 5.3240 5.3240 5.3240 5.3240 5.8490 5.8490 5.8490 5.8490 6.1419 6.1419 6.1419 6.1419 6.2832 6.2832 6.2832 6.2832 6.7649 6.7649 6.7649 6.7649 10.3746 10.3746 10.3746 10.3746 10.5116 10.5116 10.5116 10.5116 k = 0.5000 0.5000-0.0000 ( 3288 PWs) bands (ev): -5.2635 -5.2635 -5.2635 -5.2635 1.7368 1.7368 1.7368 1.7368 3.8683 3.8683 3.8683 3.8683 4.4784 4.4784 4.4784 4.4784 5.3240 5.3240 5.3240 5.3240 5.8490 5.8490 5.8490 5.8490 6.1419 6.1419 6.1419 6.1419 6.2832 6.2832 6.2832 6.2832 6.7649 6.7649 6.7649 6.7649 10.3746 10.3746 10.3746 10.3746 10.5116 10.5116 10.5116 10.5116 k = 0.4911 0.4911-0.0000 ( 3268 PWs) bands (ev): -5.2647 -5.2647 -5.2634 -5.2634 1.7379 1.7379 1.7389 1.7389 3.8607 3.8607 3.8738 3.8738 4.4709 4.4709 4.4853 4.4853 5.3247 5.3247 5.3250 5.3250 5.8370 5.8370 5.8579 5.8579 6.1339 6.1339 6.1485 6.1485 6.2830 6.2830 6.2883 6.2883 6.7629 6.7629 6.7676 6.7676 10.3729 10.3729 10.3821 10.3821 10.5107 10.5107 10.5194 10.5194 k = 0.4821 0.4821-0.0000 ( 3264 PWs) bands (ev): -5.2685 -5.2685 -5.2631 -5.2631 1.7415 1.7415 1.7446 1.7446 3.8504 3.8504 3.8775 3.8775 4.4625 4.4625 4.4916 4.4916 5.3269 5.3269 5.3277 5.3277 5.8220 5.8220 5.8629 5.8629 6.1248 6.1248 6.1533 6.1533 6.2867 6.2867 6.2985 6.2985 6.7615 6.7615 6.7711 6.7711 10.3742 10.3742 10.3976 10.3976 10.5158 10.5158 10.5348 10.5348 k = 0.4732 0.4732-0.0000 ( 3264 PWs) bands (ev): -5.2747 -5.2747 -5.2627 -5.2627 1.7477 1.7477 1.7542 1.7542 3.8369 3.8369 3.8799 3.8799 4.4534 4.4534 4.4974 4.4974 5.3305 5.3305 5.3320 5.3320 5.8048 5.8048 5.8639 5.8639 6.1152 6.1152 6.1565 6.1565 6.2937 6.2937 6.3134 6.3134 6.7605 6.7605 6.7753 6.7753 10.3775 10.3775 10.4216 10.4216 10.5272 10.5272 10.5582 10.5582 k = 0.4643 0.4643-0.0000 ( 3252 PWs) bands (ev): -5.2835 -5.2835 -5.2621 -5.2621 1.7562 1.7562 1.7674 1.7674 3.8200 3.8200 3.8813 3.8813 4.4435 4.4435 4.5027 4.5027 5.3355 5.3355 5.3381 5.3381 5.7858 5.7858 5.8610 5.8610 6.1058 6.1058 6.1586 6.1586 6.3037 6.3037 6.3323 6.3323 6.7599 6.7599 6.7804 6.7804 10.3824 10.3824 10.4525 10.4525 10.5461 10.5461 10.5898 10.5898 k = 0.4554 0.4554-0.0000 ( 3248 PWs) bands (ev): -5.2946 -5.2946 -5.2613 -5.2613 1.7673 1.7673 1.7844 1.7844 3.7994 3.7994 3.8821 3.8821 4.4328 4.4328 4.5078 4.5078 5.3419 5.3419 5.3457 5.3457 5.7655 5.7655 5.8544 5.8544 6.0970 6.0970 6.1598 6.1598 6.3165 6.3165 6.3542 6.3542 6.7596 6.7596 6.7861 6.7861 10.3890 10.3890 10.4867 10.4867 10.5756 10.5756 10.6298 10.6298 k = 0.4464 0.4464-0.0000 ( 3250 PWs) bands (ev): -5.3080 -5.3080 -5.2604 -5.2604 1.7807 1.7807 1.8050 1.8050 3.7749 3.7749 3.8823 3.8823 4.4217 4.4217 4.5126 4.5126 5.3497 5.3497 5.3547 5.3547 5.7442 5.7442 5.8445 5.8445 6.0889 6.0889 6.1604 6.1604 6.3319 6.3319 6.3787 6.3787 6.7594 6.7594 6.7923 6.7923 10.3973 10.3973 10.5200 10.5200 10.6193 10.6193 10.6780 10.6780 k = 0.4375 0.4375-0.0000 ( 3252 PWs) bands (ev): -5.3237 -5.3237 -5.2593 -5.2593 1.7965 1.7965 1.8290 1.8290 3.7464 3.7464 3.8821 3.8821 4.4102 4.4102 4.5171 4.5171 5.3587 5.3587 5.3651 5.3651 5.7225 5.7225 5.8320 5.8320 6.0815 6.0815 6.1607 6.1607 6.3496 6.3496 6.4051 6.4051 6.7595 6.7595 6.7990 6.7990 10.4072 10.4072 10.5511 10.5511 10.6776 10.6776 10.7348 10.7348 k = 0.4286 0.4286-0.0000 ( 3252 PWs) bands (ev): -5.3416 -5.3416 -5.2581 -5.2581 1.8147 1.8147 1.8566 1.8566 3.7141 3.7141 3.8816 3.8816 4.3986 4.3986 4.5214 4.5214 5.3691 5.3691 5.3767 5.3767 5.7006 5.7006 5.8175 5.8175 6.0749 6.0749 6.1607 6.1607 6.3694 6.3694 6.4333 6.4333 6.7598 6.7598 6.8061 6.8061 10.4187 10.4187 10.5817 10.5817 10.7475 10.7475 10.8007 10.8007 k = 0.4196 0.4196-0.0000 ( 3252 PWs) bands (ev): -5.3615 -5.3615 -5.2568 -5.2568 1.8352 1.8352 1.8874 1.8874 3.6780 3.6780 3.8809 3.8809 4.3869 4.3869 4.5254 4.5254 5.3807 5.3807 5.3893 5.3893 5.6788 5.6788 5.8018 5.8018 6.0690 6.0690 6.1605 6.1605 6.3909 6.3909 6.4630 6.4630 6.7602 6.7602 6.8133 6.8133 10.4317 10.4317 10.6136 10.6136 10.8252 10.8252 10.8769 10.8769 k = 0.4107 0.4107-0.0000 ( 3256 PWs) bands (ev): -5.3833 -5.3833 -5.2553 -5.2553 1.8580 1.8580 1.9214 1.9214 3.6382 3.6382 3.8800 3.8800 4.3755 4.3755 4.5291 4.5291 5.3934 5.3934 5.4029 5.4029 5.6573 5.6573 5.7853 5.7853 6.0640 6.0640 6.1602 6.1602 6.4140 6.4140 6.4941 6.4941 6.7607 6.7607 6.8208 6.8208 10.4462 10.4462 10.6476 10.6476 10.9077 10.9077 10.9646 10.9646 k = 0.4018 0.4018-0.0000 ( 3256 PWs) bands (ev): -5.4070 -5.4070 -5.2537 -5.2537 1.8830 1.8830 1.9585 1.9585 3.5951 3.5951 3.8791 3.8791 4.3644 4.3644 4.5324 4.5324 5.4070 5.4070 5.4174 5.4174 5.6365 5.6365 5.7686 5.7686 6.0597 6.0597 6.1599 6.1599 6.4385 6.4385 6.5265 6.5265 6.7615 6.7615 6.8284 6.8284 10.4622 10.4622 10.6841 10.6841 10.9937 10.9937 11.0638 11.0638 k = 0.3929 0.3929-0.0000 ( 3258 PWs) bands (ev): -5.4324 -5.4324 -5.2519 -5.2519 1.9102 1.9102 1.9985 1.9985 3.5487 3.5487 3.8781 3.8781 4.3538 4.3538 4.5353 4.5353 5.4213 5.4213 5.4327 5.4327 5.6165 5.6165 5.7522 5.7522 6.0562 6.0562 6.1595 6.1595 6.4640 6.4640 6.5599 6.5599 6.7625 6.7625 6.8363 6.8363 10.4797 10.4797 10.7233 10.7233 11.0832 11.0832 11.1731 11.1731 k = 0.3839 0.3839-0.0000 ( 3256 PWs) bands (ev): -5.4594 -5.4594 -5.2501 -5.2501 1.9395 1.9395 2.0412 2.0412 3.4996 3.4996 3.8771 3.8771 4.3437 4.3437 4.5377 4.5377 5.4358 5.4358 5.4489 5.4489 5.5975 5.5975 5.7366 5.7366 6.0535 6.0535 6.1591 6.1591 6.4906 6.4906 6.5945 6.5945 6.7639 6.7639 6.8443 6.8443 10.4987 10.4987 10.7651 10.7651 11.1765 11.1765 11.2911 11.2911 k = 0.3750 0.3750-0.0000 ( 3260 PWs) bands (ev): -5.4878 -5.4878 -5.2482 -5.2482 1.9709 1.9709 2.0866 2.0866 3.4481 3.4481 3.8763 3.8763 4.3341 4.3341 4.5394 4.5394 5.4500 5.4500 5.4660 5.4660 5.5795 5.5795 5.7223 5.7223 6.0516 6.0516 6.1588 6.1588 6.5179 6.5179 6.6300 6.6300 6.7658 6.7658 6.8525 6.8525 10.5191 10.5191 10.8094 10.8094 11.2736 11.2736 11.4168 11.4168 k = 0.3661 0.3661-0.0000 ( 3266 PWs) bands (ev): -5.5175 -5.5175 -5.2462 -5.2462 2.0041 2.0041 2.1343 2.1343 3.3946 3.3946 3.8755 3.8755 4.3252 4.3252 4.5406 4.5406 5.4633 5.4633 5.4841 5.4841 5.5628 5.5628 5.7099 5.7099 6.0505 6.0505 6.1585 6.1585 6.5458 6.5458 6.6662 6.6662 6.7685 6.7685 6.8612 6.8612 10.5410 10.5410 10.8561 10.8561 11.3740 11.3740 11.5494 11.5494 k = 0.3571 0.3571-0.0000 ( 3262 PWs) bands (ev): -5.5484 -5.5484 -5.2441 -5.2441 2.0391 2.0391 2.1844 2.1844 3.3395 3.3395 3.8750 3.8750 4.3168 4.3168 4.5410 4.5410 5.4751 5.4751 5.5032 5.5032 5.5474 5.5474 5.7000 5.7000 6.0503 6.0503 6.1584 6.1584 6.5741 6.5741 6.7025 6.7025 6.7728 6.7728 6.8702 6.8702 10.5643 10.5643 10.9049 10.9049 11.4771 11.4771 11.6882 11.6882 k = 0.3482 0.3482-0.0000 ( 3268 PWs) bands (ev): -5.5803 -5.5803 -5.2420 -5.2420 2.0757 2.0757 2.2365 2.2365 3.2832 3.2832 3.8748 3.8748 4.3091 4.3091 4.5407 4.5407 5.4848 5.4848 5.5218 5.5218 5.5344 5.5344 5.6932 5.6932 6.0509 6.0509 6.1584 6.1584 6.6022 6.6022 6.7365 6.7365 6.7811 6.7811 6.8798 6.8798 10.5891 10.5891 10.9555 10.9555 11.5821 11.5821 11.8325 11.8325 k = 0.3393 0.3393-0.0000 ( 3272 PWs) bands (ev): -5.6131 -5.6131 -5.2398 -5.2398 2.1137 2.1137 2.2906 2.2906 3.2264 3.2264 3.8750 3.8750 4.3019 4.3019 4.5396 4.5396 5.4922 5.4922 5.5177 5.5177 5.5457 5.5457 5.6903 5.6903 6.0522 6.0522 6.1586 6.1586 6.6297 6.6297 6.7609 6.7609 6.8013 6.8013 6.8905 6.8905 10.6154 10.6154 11.0075 11.0075 11.6881 11.6881 11.9821 11.9821 k = 0.3304 0.3304-0.0000 ( 3268 PWs) bands (ev): -5.6466 -5.6466 -5.2376 -5.2376 2.1528 2.1528 2.3463 2.3463 3.1697 3.1697 3.8756 3.8756 4.2952 4.2952 4.5378 4.5378 5.4973 5.4973 5.5052 5.5052 5.5670 5.5670 5.6915 5.6915 6.0543 6.0543 6.1591 6.1591 6.6558 6.6558 6.7744 6.7744 6.8349 6.8349 6.9024 6.9024 10.6430 10.6430 11.0606 11.0606 11.7938 11.7938 12.1362 12.1362 k = 0.3214 0.3214-0.0000 ( 3268 PWs) bands (ev): -5.6808 -5.6808 -5.2354 -5.2354 2.1925 2.1925 2.4036 2.4036 3.1136 3.1136 3.8768 3.8768 4.2890 4.2890 4.5351 4.5351 5.4913 5.4913 5.5017 5.5017 5.5891 5.5891 5.6965 5.6965 6.0570 6.0570 6.1599 6.1599 6.6792 6.6792 6.7864 6.7864 6.8727 6.8727 6.9170 6.9170 10.6721 10.6721 11.1142 11.1142 11.8978 11.8978 12.2945 12.2945 k = 0.3125 0.3125-0.0000 ( 3268 PWs) bands (ev): -5.7155 -5.7155 -5.2331 -5.2331 2.2323 2.2323 2.4622 2.4622 3.0590 3.0590 3.8785 3.8785 4.2833 4.2833 4.5317 4.5317 5.4782 5.4782 5.5044 5.5044 5.6115 5.6115 5.7050 5.7050 6.0603 6.0603 6.1612 6.1612 6.6986 6.6986 6.8011 6.8011 6.9076 6.9076 6.9382 6.9382 10.7024 10.7024 11.1677 11.1677 11.9983 11.9983 12.4565 12.4565 k = 0.3036 0.3036-0.0000 ( 3260 PWs) bands (ev): -5.7505 -5.7505 -5.2309 -5.2309 2.2713 2.2713 2.5218 2.5218 3.0072 3.0072 3.8810 3.8810 4.2780 4.2780 4.5275 4.5275 5.4646 5.4646 5.5073 5.5073 5.6340 5.6340 5.7164 5.7164 6.0642 6.0642 6.1629 6.1629 6.7132 6.7132 6.8200 6.8200 6.9324 6.9324 6.9726 6.9726 10.7341 10.7341 11.2204 11.2204 12.0932 12.0932 12.6217 12.6217 k = 0.2946 0.2946-0.0000 ( 3256 PWs) bands (ev): -5.7858 -5.7858 -5.2286 -5.2286 2.3082 2.3082 2.5820 2.5820 2.9598 2.9598 3.8842 3.8842 4.2731 4.2731 4.5227 4.5227 5.4504 5.4504 5.5108 5.5108 5.6562 5.6562 5.7300 5.7300 6.0685 6.0685 6.1652 6.1652 6.7236 6.7236 6.8425 6.8425 6.9525 6.9525 7.0149 7.0149 10.7671 10.7671 11.2716 11.2716 12.1802 12.1802 12.7897 12.7897 k = 0.2857 0.2857-0.0000 ( 3252 PWs) bands (ev): -5.8212 -5.8212 -5.2264 -5.2264 2.3409 2.3409 2.6423 2.6423 2.9193 2.9193 3.8882 3.8882 4.2685 4.2685 4.5172 4.5172 5.4357 5.4357 5.5157 5.5157 5.6779 5.6779 5.7456 5.7456 6.0730 6.0730 6.1681 6.1681 6.7307 6.7307 6.8671 6.8671 6.9732 6.9732 7.0601 7.0601 10.8012 10.8012 11.3204 11.3204 12.2565 12.2565 12.9598 12.9598 k = 0.2768 0.2768-0.0000 ( 3258 PWs) bands (ev): -5.8566 -5.8566 -5.2242 -5.2242 2.3668 2.3668 2.7017 2.7017 2.8895 2.8895 3.8932 3.8932 4.2643 4.2643 4.5110 4.5110 5.4208 5.4208 5.5220 5.5220 5.6985 5.6985 5.7626 5.7626 6.0778 6.0778 6.1718 6.1718 6.7357 6.7357 6.8923 6.8923 6.9962 6.9962 7.1068 7.1068 10.8364 10.8364 11.3658 11.3658 12.3192 12.3192 13.1316 13.1316 k = 0.2679 0.2679-0.0000 ( 3250 PWs) bands (ev): -5.8919 -5.8919 -5.2220 -5.2220 2.3824 2.3824 2.7572 2.7572 2.8765 2.8765 3.8991 3.8991 4.2605 4.2605 4.5044 4.5044 5.4056 5.4056 5.5300 5.5300 5.7179 5.7179 5.7811 5.7811 6.0828 6.0828 6.1765 6.1765 6.7394 6.7394 6.9173 6.9173 7.0219 7.0219 7.1547 7.1547 10.8726 10.8726 11.4067 11.4067 12.3656 12.3656 13.3045 13.3045 k = 0.2589 0.2589-0.0000 ( 3250 PWs) bands (ev): -5.9269 -5.9269 -5.2199 -5.2199 2.3846 2.3846 2.8026 2.8026 2.8896 2.8896 3.9060 3.9060 4.2569 4.2569 4.4973 4.4973 5.3901 5.3901 5.5398 5.5398 5.7357 5.7357 5.8005 5.8005 6.0879 6.0879 6.1820 6.1820 6.7422 6.7422 6.9417 6.9417 7.0503 7.0503 7.2035 7.2035 10.9095 10.9095 11.4419 11.4419 12.3936 12.3936 13.4778 13.4778 k = 0.2500 0.2500-0.0000 ( 3250 PWs) bands (ev): -5.9617 -5.9617 -5.2178 -5.2178 2.3727 2.3727 2.8366 2.8366 2.9307 2.9307 3.9139 3.9139 4.2537 4.2537 4.4899 4.4899 5.3746 5.3746 5.5513 5.5513 5.7520 5.7520 5.8208 5.8208 6.0932 6.0932 6.1885 6.1885 6.7444 6.7444 6.9654 6.9654 7.0812 7.0812 7.2531 7.2531 10.9470 10.9470 11.4705 11.4705 12.4020 12.4020 13.6507 13.6507 k = 0.2411 0.2411-0.0000 ( 3250 PWs) bands (ev): -5.9960 -5.9960 -5.2158 -5.2158 2.3485 2.3485 2.8709 2.8709 2.9860 2.9860 3.9230 3.9230 4.2508 4.2508 4.4821 4.4821 5.3591 5.3591 5.5645 5.5645 5.7669 5.7669 5.8414 5.8414 6.0986 6.0986 6.1959 6.1959 6.7461 6.7461 6.9886 6.9886 7.1141 7.1141 7.3033 7.3033 10.9849 10.9849 11.4912 11.4912 12.3912 12.3912 13.8220 13.8220 k = 0.2321 0.2321-0.0000 ( 3250 PWs) bands (ev): -6.0298 -6.0298 -5.2139 -5.2139 2.3155 2.3155 2.9114 2.9114 3.0460 3.0460 3.9332 3.9332 4.2482 4.2482 4.4741 4.4741 5.3436 5.3436 5.5793 5.5793 5.7806 5.7806 5.8618 5.8618 6.1044 6.1044 6.2043 6.2043 6.7473 6.7473 7.0115 7.0115 7.1487 7.1487 7.3542 7.3542 11.0227 11.0227 11.5031 11.5031 12.3626 12.3626 13.9750 13.9750 k = 0.2232 0.2232-0.0000 ( 3252 PWs) bands (ev): -6.0631 -6.0631 -5.2120 -5.2120 2.2767 2.2767 2.9580 2.9580 3.1074 3.1074 3.9445 3.9445 4.2460 4.2460 4.4659 4.4659 5.3282 5.3282 5.5957 5.5957 5.7932 5.7932 5.8814 5.8814 6.1106 6.1106 6.2136 6.2136 6.7483 6.7483 7.0342 7.0342 7.1845 7.1845 7.4056 7.4056 11.0600 11.0600 11.5055 11.5055 12.3189 12.3189 13.8542 13.8542 k = 0.2143 0.2143-0.0000 ( 3246 PWs) bands (ev): -6.0956 -6.0956 -5.2103 -5.2103 2.2347 2.2347 3.0092 3.0092 3.1689 3.1689 3.9569 3.9569 4.2442 4.2442 4.4577 4.4577 5.3131 5.3131 5.6136 5.6136 5.8050 5.8050 5.9000 5.9000 6.1175 6.1175 6.2237 6.2237 6.7489 6.7489 7.0567 7.0567 7.2214 7.2214 7.4575 7.4575 11.0961 11.0961 11.4979 11.4979 12.2633 12.2633 13.6886 13.6886 k = 0.2054 0.2054-0.0000 ( 3246 PWs) bands (ev): -6.1273 -6.1273 -5.2086 -5.2086 2.1909 2.1909 3.0637 3.0637 3.2301 3.2301 3.9706 3.9706 4.2429 4.2429 4.4495 4.4495 5.2982 5.2982 5.6327 5.6327 5.8161 5.8161 5.9169 5.9169 6.1254 6.1254 6.2345 6.2345 6.7492 6.7492 7.0788 7.0788 7.2591 7.2591 7.5096 7.5096 11.1300 11.1300 11.4803 11.4803 12.1989 12.1989 13.5282 13.5282 k = 0.1964 0.1964-0.0000 ( 3247 PWs) bands (ev): -6.1583 -6.1583 -5.2069 -5.2069 2.1466 2.1466 3.1204 3.1204 3.2903 3.2903 3.9853 3.9853 4.2420 4.2420 4.4413 4.4413 5.2835 5.2835 5.6529 5.6529 5.8269 5.8269 5.9320 5.9320 6.1342 6.1342 6.2458 6.2458 6.7492 6.7492 7.1002 7.1002 7.2977 7.2977 7.5620 7.5620 11.1603 11.1603 11.4537 11.4537 12.1288 12.1288 13.3749 13.3749 k = 0.1875 0.1875-0.0000 ( 3251 PWs) bands (ev): -6.1883 -6.1883 -5.2054 -5.2054 2.1024 2.1024 3.1786 3.1786 3.3494 3.3494 4.0013 4.0013 4.2417 4.2417 4.4332 4.4332 5.2691 5.2691 5.6740 5.6740 5.8376 5.8376 5.9448 5.9448 6.1443 6.1443 6.2577 6.2577 6.7489 6.7489 7.1205 7.1205 7.3371 7.3371 7.6145 7.6145 11.1843 11.1843 11.4200 11.4200 12.0556 12.0556 13.2298 13.2298 k = 0.1786 0.1786-0.0000 ( 3251 PWs) bands (ev): -6.2173 -6.2173 -5.2039 -5.2039 2.0589 2.0589 3.2376 3.2376 3.4069 3.4069 4.0183 4.0183 4.2420 4.2420 4.4252 4.4252 5.2550 5.2550 5.6956 5.6956 5.8487 5.8487 5.9553 5.9553 6.1556 6.1556 6.2701 6.2701 6.7484 6.7484 7.1394 7.1394 7.3774 7.3774 7.6669 7.6669 11.1967 11.1967 11.3839 11.3839 11.9816 11.9816 13.0944 13.0944 k = 0.1696 0.1696-0.0000 ( 3257 PWs) bands (ev): -6.2453 -6.2453 -5.2026 -5.2026 2.0165 2.0165 3.2967 3.2967 3.4625 3.4625 4.0364 4.0364 4.2431 4.2431 4.4174 4.4174 5.2413 5.2413 5.7171 5.7171 5.8606 5.8606 5.9637 5.9637 6.1679 6.1679 6.2828 6.2828 6.7476 6.7476 7.1562 7.1562 7.4189 7.4189 7.7193 7.7193 11.1884 11.1884 11.3542 11.3542 11.9086 11.9086 12.9701 12.9701 k = 0.1607 0.1607-0.0000 ( 3255 PWs) bands (ev): -6.2722 -6.2722 -5.2013 -5.2013 1.9754 1.9754 3.3556 3.3556 3.5161 3.5161 4.0556 4.0556 4.2450 4.2450 4.4098 4.4098 5.2281 5.2281 5.7380 5.7380 5.8741 5.8741 5.9699 5.9699 6.1811 6.1811 6.2958 6.2958 6.7465 6.7465 7.1706 7.1706 7.4615 7.4615 7.7715 7.7715 11.1517 11.1517 11.3379 11.3379 11.8380 11.8380 12.8586 12.8586 k = 0.1518 0.1518-0.0000 ( 3259 PWs) bands (ev): -6.2979 -6.2979 -5.2001 -5.2001 1.9358 1.9358 3.4137 3.4137 3.5672 3.5672 4.0757 4.0757 4.2479 4.2479 4.4026 4.4026 5.2153 5.2153 5.7574 5.7574 5.8898 5.8898 5.9743 5.9743 6.1947 6.1947 6.3090 6.3090 6.7452 6.7452 7.1820 7.1820 7.5054 7.5054 7.8233 7.8233 11.0918 11.0918 11.3294 11.3294 11.7710 11.7710 12.7619 12.7619 k = 0.1429 0.1429-0.0000 ( 3259 PWs) bands (ev): -6.3225 -6.3225 -5.1990 -5.1990 1.8980 1.8980 3.4705 3.4705 3.6155 3.6155 4.0968 4.0968 4.2520 4.2520 4.3956 4.3956 5.2029 5.2029 5.7747 5.7747 5.9083 5.9083 5.9774 5.9774 6.2086 6.2086 6.3223 6.3223 6.7436 6.7436 7.1899 7.1899 7.5506 7.5506 7.8748 7.8748 11.0176 11.0176 11.3195 11.3195 11.7084 11.7084 12.6815 12.6815 k = 0.1339 0.1339-0.0000 ( 3251 PWs) bands (ev): -6.3457 -6.3457 -5.1980 -5.1980 1.8620 1.8620 3.5255 3.5255 3.6609 3.6609 4.1186 4.1186 4.2575 4.2575 4.3891 4.3891 5.1911 5.1911 5.7895 5.7895 5.9296 5.9296 5.9799 5.9799 6.2224 6.2224 6.3358 6.3358 6.7418 6.7418 7.1940 7.1940 7.5971 7.5971 7.9257 7.9257 10.9345 10.9345 11.3029 11.3029 11.6509 11.6509 12.6186 12.6186 k = 0.1250 0.1250-0.0000 ( 3261 PWs) bands (ev): -6.3677 -6.3677 -5.1971 -5.1971 1.8280 1.8280 3.5784 3.5784 3.7030 3.7030 4.1409 4.1409 4.2644 4.2644 4.3828 4.3828 5.1797 5.1797 5.8016 5.8016 5.9512 5.9512 5.9841 5.9841 6.2358 6.2358 6.3491 6.3491 6.7398 6.7398 7.1939 7.1939 7.6447 7.6447 7.9761 7.9761 10.8456 10.8456 11.2776 11.2776 11.5988 11.5988 12.5736 12.5736 k = 0.1161 0.1161-0.0000 ( 3261 PWs) bands (ev): -6.3883 -6.3883 -5.1962 -5.1962 1.7960 1.7960 3.6286 3.6286 3.7416 3.7416 4.1634 4.1634 4.2730 4.2730 4.3771 4.3771 5.1690 5.1690 5.8116 5.8116 5.9645 5.9645 5.9988 5.9988 6.2486 6.2486 6.3624 6.3624 6.7377 6.7377 7.1896 7.1896 7.6932 7.6932 8.0258 8.0258 10.7526 10.7526 11.2436 11.2436 11.5527 11.5527 12.5457 12.5457 k = 0.1071 0.1071-0.0000 ( 3259 PWs) bands (ev): -6.4075 -6.4075 -5.1955 -5.1955 1.7662 1.7662 3.6757 3.6757 3.7766 3.7766 4.1858 4.1858 4.2836 4.2836 4.3720 4.3720 5.1589 5.1589 5.8199 5.8199 5.9668 5.9668 6.0261 6.0261 6.2608 6.2608 6.3754 6.3754 6.7354 6.7354 7.1809 7.1809 7.7423 7.7423 8.0748 8.0748 10.6570 10.6570 11.2018 11.2018 11.5132 11.5132 12.5330 12.5330 k = 0.0982 0.0982-0.0000 ( 3257 PWs) bands (ev): -6.4254 -6.4254 -5.1948 -5.1948 1.7385 1.7385 3.7193 3.7193 3.8079 3.8079 4.2076 4.2076 4.2960 4.2960 4.3676 4.3676 5.1495 5.1495 5.8269 5.8269 5.9653 5.9653 6.0584 6.0584 6.2721 6.2721 6.3884 6.3884 6.7331 6.7331 7.1680 7.1680 7.7915 7.7915 8.1231 8.1231 10.5602 10.5602 11.1540 11.1540 11.4808 11.4808 12.5329 12.5329 k = 0.0893 0.0893-0.0000 ( 3261 PWs) bands (ev): -6.4418 -6.4418 -5.1941 -5.1941 1.7131 1.7131 3.7593 3.7593 3.8353 3.8353 4.2283 4.2283 4.3099 4.3099 4.3644 4.3644 5.1406 5.1406 5.8329 5.8329 5.9622 5.9622 6.0930 6.0930 6.2826 6.2826 6.4011 6.4011 6.7306 6.7306 7.1511 7.1511 7.8401 7.8401 8.1708 8.1708 10.4633 10.4633 11.1024 11.1024 11.4556 11.4556 12.5425 12.5425 k = 0.0804 0.0804-0.0000 ( 3269 PWs) bands (ev): -6.4567 -6.4567 -5.1936 -5.1936 1.6900 1.6900 3.7953 3.7953 3.8592 3.8592 4.2475 4.2475 4.3238 4.3238 4.3638 4.3638 5.1325 5.1325 5.8383 5.8383 5.9582 5.9582 6.1284 6.1284 6.2919 6.2919 6.4135 6.4135 6.7282 6.7282 7.1304 7.1304 7.8874 7.8874 8.2178 8.2178 10.3676 10.3676 11.0494 11.0494 11.4374 11.4374 12.5593 12.5593 k = 0.0714 0.0714-0.0000 ( 3269 PWs) bands (ev): -6.4701 -6.4701 -5.1931 -5.1931 1.6692 1.6692 3.8273 3.8273 3.8795 3.8795 4.2651 4.2651 4.3341 4.3341 4.3687 4.3687 5.1251 5.1251 5.8433 5.8433 5.9537 5.9537 6.1640 6.1640 6.3005 6.3005 6.4260 6.4260 6.7257 6.7257 7.1066 7.1066 7.9326 7.9326 8.2641 8.2641 10.2742 10.2742 10.9969 10.9969 11.4257 11.4257 12.5805 12.5805 k = 0.0625 0.0625-0.0000 ( 3269 PWs) bands (ev): -6.4819 -6.4819 -5.1927 -5.1927 1.6509 1.6509 3.8552 3.8552 3.8965 3.8965 4.2810 4.2810 4.3379 4.3379 4.3813 4.3813 5.1185 5.1185 5.8480 5.8480 5.9488 5.9488 6.1988 6.1988 6.3080 6.3080 6.4385 6.4385 6.7235 6.7235 7.0802 7.0802 7.9747 7.9747 8.3094 8.3094 10.1847 10.1847 10.9471 10.9471 11.4196 11.4196 12.6042 12.6042 k = 0.0536 0.0536-0.0000 ( 3263 PWs) bands (ev): -6.4923 -6.4923 -5.1923 -5.1923 1.6349 1.6349 3.8790 3.8790 3.9106 3.9106 4.2951 4.2951 4.3381 4.3381 4.3976 4.3976 5.1126 5.1126 5.8525 5.8525 5.9437 5.9437 6.2318 6.2318 6.3145 6.3145 6.4513 6.4513 6.7214 6.7214 7.0522 7.0522 8.0129 8.0129 8.3534 8.3534 10.1005 10.1005 10.9012 10.9012 11.4181 11.4181 12.6284 12.6284 k = 0.0446 0.0446-0.0000 ( 3265 PWs) bands (ev): -6.5010 -6.5010 -5.1920 -5.1920 1.6213 1.6213 3.8989 3.8989 3.9219 3.9219 4.3071 4.3071 4.3372 4.3372 4.4143 4.4143 5.1077 5.1077 5.8568 5.8568 5.9385 5.9385 6.2619 6.2619 6.3200 6.3200 6.4646 6.4646 6.7194 6.7194 7.0236 7.0236 8.0464 8.0464 8.3952 8.3952 10.0233 10.0233 10.8606 10.8606 11.4201 11.4201 12.6515 12.6515 k = 0.0357 0.0357-0.0000 ( 3265 PWs) bands (ev): -6.5082 -6.5082 -5.1918 -5.1918 1.6102 1.6102 3.9150 3.9150 3.9308 3.9308 4.3169 4.3169 4.3366 4.3366 4.4296 4.4296 5.1036 5.1036 5.8608 5.8608 5.9335 5.9335 6.2878 6.2878 6.3245 6.3245 6.4783 6.4783 6.7178 6.7178 6.9957 6.9957 8.0744 8.0744 8.4334 8.4334 9.9554 9.9554 10.8263 10.8263 11.4242 11.4242 12.6720 12.6720 k = 0.0268 0.0268-0.0000 ( 3263 PWs) bands (ev): -6.5139 -6.5139 -5.1916 -5.1916 1.6015 1.6015 3.9273 3.9273 3.9375 3.9375 4.3237 4.3237 4.3370 4.3370 4.4424 4.4424 5.1003 5.1003 5.8644 5.8644 5.9291 5.9291 6.3084 6.3084 6.3280 6.3280 6.4918 6.4918 6.7165 6.7165 6.9704 6.9704 8.0966 8.0966 8.4665 8.4665 9.8988 9.8988 10.7989 10.7989 11.4293 11.4293 12.6885 12.6885 k = 0.0179 0.0179-0.0000 ( 3271 PWs) bands (ev): -6.5179 -6.5179 -5.1915 -5.1915 1.5953 1.5953 3.9359 3.9359 3.9421 3.9421 4.3270 4.3270 4.3389 4.3389 4.4519 4.4519 5.0980 5.0980 5.8674 5.8674 5.9253 5.9253 6.3229 6.3229 6.3307 6.3307 6.5039 6.5039 6.7155 6.7155 6.9498 6.9498 8.1127 8.1127 8.4923 8.4923 9.8560 9.8560 10.7789 10.7789 11.4339 11.4339 12.6993 12.6993 k = 0.0089 0.0089-0.0000 ( 3279 PWs) bands (ev): -6.5203 -6.5203 -5.1914 -5.1914 1.5915 1.5915 3.9409 3.9409 3.9450 3.9450 4.3279 4.3279 4.3410 4.3410 4.4579 4.4579 5.0966 5.0966 5.8694 5.8694 5.9227 5.9227 6.3302 6.3302 6.3337 6.3337 6.5125 6.5125 6.7147 6.7147 6.9361 6.9361 8.1223 8.1223 8.5087 8.5087 9.8292 9.8292 10.7668 10.7668 11.4372 11.4372 12.7018 12.7018 k = 0.0000 0.0000 0.0000 ( 3283 PWs) bands (ev): -6.5211 -6.5211 -5.1914 -5.1914 1.5903 1.5903 3.9425 3.9425 3.9460 3.9460 4.3281 4.3281 4.3418 4.3418 4.4599 4.4599 5.0961 5.0961 5.8701 5.8701 5.9218 5.9218 6.3314 6.3314 6.3359 6.3359 6.5156 6.5156 6.7145 6.7145 6.9313 6.9313 8.1255 8.1255 8.5144 8.5144 9.8201 9.8201 10.7628 10.7628 11.4384 11.4384 12.7004 12.7004 k = 0.0000 0.0000 0.0000 ( 3283 PWs) bands (ev): -6.5211 -6.5211 -5.1914 -5.1914 1.5903 1.5903 3.9425 3.9425 3.9460 3.9460 4.3281 4.3281 4.3418 4.3418 4.4599 4.4599 5.0961 5.0961 5.8701 5.8701 5.9218 5.9218 6.3314 6.3314 6.3359 6.3359 6.5156 6.5156 6.7145 6.7145 6.9313 6.9313 8.1255 8.1255 8.5144 8.5144 9.8201 9.8201 10.7628 10.7628 11.4384 11.4384 12.7004 12.7004 k = 0.0000 0.0000 0.0127 ( 3279 PWs) bands (ev): -6.5203 -6.5203 -5.1927 -5.1927 1.5923 1.5923 3.9230 3.9230 3.9648 3.9648 4.3273 4.3273 4.3360 4.3360 4.4663 4.4663 5.0961 5.0961 5.8704 5.8704 5.9219 5.9219 6.3315 6.3315 6.3363 6.3363 6.5159 6.5159 6.7144 6.7144 6.9296 6.9296 8.1229 8.1229 8.5115 8.5115 9.8257 9.8257 10.7636 10.7636 11.4405 11.4405 12.7039 12.7039 k = 0.0000 0.0000 0.0254 ( 3279 PWs) bands (ev): -6.5178 -6.5178 -5.1967 -5.1967 1.5983 1.5983 3.9013 3.9013 3.9840 3.9840 4.3212 4.3212 4.3249 4.3249 4.4828 4.4828 5.0962 5.0962 5.8711 5.8711 5.9222 5.9222 6.3318 6.3318 6.3373 6.3373 6.5170 6.5170 6.7140 6.7140 6.9245 6.9245 8.1148 8.1148 8.5026 8.5026 9.8423 9.8423 10.7662 10.7662 11.4469 11.4469 12.7144 12.7144 k = 0.0000 0.0000 0.0381 ( 3279 PWs) bands (ev): -6.5137 -6.5137 -5.2032 -5.2032 1.6083 1.6083 3.8793 3.8793 4.0017 4.0017 4.3020 4.3020 4.3213 4.3213 4.5049 4.5049 5.0963 5.0963 5.8723 5.8723 5.9229 5.9229 6.3322 6.3322 6.3389 6.3389 6.5187 6.5187 6.7134 6.7134 6.9163 6.9163 8.1016 8.1016 8.4881 8.4881 9.8695 9.8695 10.7706 10.7706 11.4576 11.4576 12.7319 12.7319 k = 0.0000 0.0000 0.0509 ( 3275 PWs) bands (ev): -6.5080 -6.5080 -5.2123 -5.2123 1.6223 1.6223 3.8570 3.8570 4.0170 4.0170 4.2809 4.2809 4.3171 4.3171 4.5300 4.5300 5.0964 5.0964 5.8739 5.8739 5.9239 5.9239 6.3328 6.3328 6.3412 6.3412 6.5211 6.5211 6.7124 6.7124 6.9054 6.9054 8.0835 8.0835 8.4680 8.4680 9.9069 9.9069 10.7767 10.7767 11.4725 11.4725 12.7561 12.7561 k = 0.0000 0.0000 0.0636 ( 3275 PWs) bands (ev): -6.5006 -6.5006 -5.2240 -5.2240 1.6401 1.6401 3.8346 3.8346 4.0289 4.0289 4.2592 4.2592 4.3131 4.3131 4.5568 4.5568 5.0965 5.0965 5.8758 5.8758 5.9251 5.9251 6.3336 6.3336 6.3441 6.3441 6.5242 6.5242 6.7110 6.7110 6.8924 6.8924 8.0610 8.0610 8.4428 8.4428 9.9538 9.9538 10.7846 10.7846 11.4915 11.4915 12.7867 12.7867 k = 0.0000 0.0000 0.0763 ( 3267 PWs) bands (ev): -6.4917 -6.4917 -5.2380 -5.2380 1.6617 1.6617 3.8120 3.8120 4.0365 4.0365 4.2375 4.2375 4.3105 4.3105 4.5847 4.5847 5.0967 5.0967 5.8779 5.8779 5.9269 5.9269 6.3344 6.3344 6.3477 6.3477 6.5280 6.5280 6.7092 6.7092 6.8778 6.8778 8.0344 8.0344 8.4127 8.4127 10.0093 10.0093 10.7943 10.7943 11.5147 11.5147 12.8236 12.8236 k = 0.0000 0.0000 0.0890 ( 3259 PWs) bands (ev): -6.4811 -6.4811 -5.2544 -5.2544 1.6870 1.6870 3.7893 3.7893 4.0387 4.0387 4.2162 4.2162 4.3103 4.3103 4.6131 4.6131 5.0970 5.0970 5.8803 5.8803 5.9285 5.9285 6.3355 6.3355 6.3520 6.3520 6.5327 6.5327 6.7068 6.7068 6.8623 6.8623 8.0042 8.0042 8.3783 8.3783 10.0726 10.0726 10.8057 10.8057 11.5420 11.5420 12.8664 12.8664 k = 0.0000 0.0000 0.1017 ( 3255 PWs) bands (ev): -6.4690 -6.4690 -5.2730 -5.2730 1.7160 1.7160 3.7662 3.7662 4.0345 4.0345 4.1955 4.1955 4.3137 4.3137 4.6419 4.6419 5.0972 5.0972 5.8827 5.8827 5.9305 5.9305 6.3365 6.3365 6.3569 6.3569 6.5381 6.5381 6.7036 6.7036 6.8467 6.8467 7.9708 7.9708 8.3399 8.3399 10.1430 10.1430 10.8190 10.8190 11.5732 11.5732 12.9146 12.9146 k = 0.0000 0.0000 0.1144 ( 3251 PWs) bands (ev): -6.4554 -6.4554 -5.2938 -5.2938 1.7484 1.7484 3.7427 3.7427 4.0239 4.0239 4.1755 4.1755 4.3208 4.3208 4.6707 4.6707 5.0975 5.0975 5.8851 5.8851 5.9327 5.9327 6.3376 6.3376 6.3624 6.3624 6.5443 6.5443 6.6997 6.6997 6.8318 6.8318 7.9347 7.9347 8.2979 8.2979 10.2196 10.2196 10.8341 10.8341 11.6082 11.6082 12.9678 12.9678 k = 0.0000 0.0000 0.1271 ( 3251 PWs) bands (ev): -6.4402 -6.4402 -5.3165 -5.3165 1.7842 1.7842 3.7185 3.7185 4.0073 4.0073 4.1562 4.1562 4.3313 4.3313 4.6994 4.6994 5.0978 5.0978 5.8876 5.8876 5.9349 5.9349 6.3388 6.3388 6.3687 6.3687 6.5515 6.5515 6.6945 6.6945 6.8180 6.8180 7.8963 7.8963 8.2530 8.2530 10.3016 10.3016 10.8510 10.8510 11.6469 11.6469 12.9039 12.9039 k = 0.0000 0.0000 0.1398 ( 3251 PWs) bands (ev): -6.4236 -6.4236 -5.3411 -5.3411 1.8233 1.8233 3.6932 3.6932 3.9858 3.9858 4.1378 4.1378 4.3446 4.3446 4.7278 4.7278 5.0983 5.0983 5.8899 5.8899 5.9372 5.9372 6.3401 6.3401 6.3758 6.3758 6.5598 6.5598 6.6882 6.6882 6.8059 6.8059 7.8560 7.8560 8.2056 8.2056 10.3883 10.3883 10.8698 10.8698 11.6889 11.6889 12.8265 12.8265 k = 0.0000 0.0000 0.1526 ( 3243 PWs) bands (ev): -6.4055 -6.4055 -5.3675 -5.3675 1.8654 1.8654 3.6664 3.6664 3.9607 3.9607 4.1204 4.1204 4.3601 4.3601 4.7558 4.7558 5.0987 5.0987 5.8919 5.8919 5.9396 5.9396 6.3414 6.3414 6.3837 6.3837 6.5690 6.5690 6.6809 6.6809 6.7958 6.7958 7.8144 7.8144 8.1562 8.1562 10.4790 10.4790 10.8905 10.8905 11.7339 11.7339 12.7463 12.7463 k = 0.0000 0.0000 0.1653 ( 3243 PWs) bands (ev): -6.3860 -6.3860 -5.3954 -5.3954 1.9105 1.9105 3.6376 3.6376 3.9333 3.9333 4.1038 4.1038 4.3769 4.3769 4.7831 4.7831 5.0993 5.0993 5.8938 5.8938 5.9421 5.9421 6.3428 6.3428 6.3923 6.3923 6.5793 6.5793 6.6727 6.6727 6.7876 6.7876 7.7718 7.7718 8.1053 8.1053 10.5732 10.5732 10.9132 10.9132 11.7816 11.7816 12.6649 12.6649 k = 0.0000 0.0000 0.1780 ( 3243 PWs) bands (ev): -6.3651 -6.3651 -5.4247 -5.4247 1.9584 1.9584 3.6062 3.6062 3.9048 3.9048 4.0882 4.0882 4.3945 4.3945 4.8096 4.8096 5.1000 5.1000 5.8953 5.8953 5.9446 5.9446 6.3441 6.3441 6.4016 6.4016 6.5906 6.5906 6.6642 6.6642 6.7813 6.7813 7.7286 7.7286 8.0534 8.0534 10.6703 10.6703 10.9377 10.9377 11.8315 11.8315 12.5830 12.5830 k = 0.0000 0.0000 0.1907 ( 3251 PWs) bands (ev): -6.3430 -6.3430 -5.4553 -5.4553 2.0089 2.0089 3.5716 3.5716 3.8765 3.8765 4.0735 4.0735 4.4123 4.4123 4.8351 4.8351 5.1008 5.1008 5.8965 5.8965 5.9471 5.9471 6.3453 6.3453 6.4116 6.4116 6.6030 6.6030 6.6556 6.6556 6.7764 6.7764 7.6851 7.6851 8.0009 8.0009 10.7697 10.7697 10.9642 10.9642 11.8830 11.8830 12.5013 12.5013 k = 0.0000 0.0000 0.2034 ( 3255 PWs) bands (ev): -6.3196 -6.3196 -5.4870 -5.4870 2.0618 2.0618 3.5331 3.5331 3.8494 3.8494 4.0599 4.0599 4.4300 4.4300 4.8594 4.8594 5.1016 5.1016 5.8974 5.8974 5.9494 5.9494 6.3465 6.3465 6.4223 6.4223 6.6164 6.6164 6.6474 6.6474 6.7727 6.7727 7.6420 7.6420 7.9485 7.9485 10.8710 10.8710 10.9927 10.9927 11.9354 11.9354 12.4202 12.4202 k = 0.0000 0.0000 0.2161 ( 3255 PWs) bands (ev): -6.2950 -6.2950 -5.5196 -5.5196 2.1171 2.1171 3.4906 3.4906 3.8243 3.8243 4.0473 4.0473 4.4473 4.4473 4.8824 4.8824 5.1028 5.1028 5.8980 5.8980 5.9518 5.9518 6.3478 6.3478 6.4336 6.4336 6.6308 6.6308 6.6398 6.6398 6.7699 6.7699 7.5996 7.5996 7.8965 7.8965 10.9737 10.9737 11.0231 11.0231 11.9880 11.9880 12.3401 12.3401 k = 0.0000 0.0000 0.2288 ( 3247 PWs) bands (ev): -6.2694 -6.2694 -5.5529 -5.5529 2.1745 2.1745 3.4439 3.4439 3.8018 3.8018 4.0358 4.0358 4.4639 4.4639 4.9038 4.9038 5.1040 5.1040 5.8983 5.8983 5.9541 5.9541 6.3489 6.3489 6.4453 6.4453 6.6332 6.6332 6.6460 6.6460 6.7679 6.7679 7.5584 7.5584 7.8455 7.8455 11.0554 11.0554 11.0771 11.0771 12.0399 12.0399 12.2615 12.2615 k = 0.0000 0.0000 0.2416 ( 3255 PWs) bands (ev): -6.2428 -6.2428 -5.5867 -5.5867 2.2338 2.2338 3.3931 3.3931 3.7820 3.7820 4.0254 4.0254 4.4795 4.4795 4.9234 4.9234 5.1053 5.1053 5.8983 5.8983 5.9563 5.9563 6.3498 6.3498 6.4574 6.4574 6.6273 6.6273 6.6618 6.6618 6.7662 6.7662 7.5187 7.5187 7.7961 7.7961 11.0895 11.0895 11.1807 11.1807 12.0901 12.0901 12.1847 12.1847 k = 0.0000 0.0000 0.2543 ( 3231 PWs) bands (ev): -6.2154 -6.2154 -5.6209 -5.6209 2.2949 2.2949 3.3386 3.3386 3.7649 3.7649 4.0161 4.0161 4.4940 4.4940 4.9413 4.9413 5.1069 5.1069 5.8983 5.8983 5.9585 5.9585 6.3508 6.3508 6.4698 6.4698 6.6223 6.6223 6.6783 6.6783 6.7648 6.7648 7.4812 7.4812 7.7489 7.7489 11.1255 11.1255 11.2838 11.2838 12.1100 12.1100 12.1375 12.1375 k = 0.0000 0.0000 0.2670 ( 3247 PWs) bands (ev): -6.1874 -6.1874 -5.6550 -5.6550 2.3575 2.3575 3.2809 3.2809 3.7503 3.7503 4.0077 4.0077 4.5072 4.5072 4.9570 4.9570 5.1085 5.1085 5.8978 5.8978 5.9604 5.9604 6.3516 6.3516 6.4820 6.4820 6.6182 6.6182 6.6947 6.6947 6.7636 6.7636 7.4461 7.4461 7.7043 7.7043 11.1631 11.1631 11.3852 11.3852 12.0377 12.0377 12.1809 12.1809 k = 0.0000 0.0000 0.2797 ( 3247 PWs) bands (ev): -6.1590 -6.1590 -5.6889 -5.6889 2.4216 2.4216 3.2205 3.2205 3.7381 3.7381 4.0005 4.0005 4.5189 4.5189 4.9706 4.9706 5.1103 5.1103 5.8975 5.8975 5.9620 5.9620 6.3523 6.3523 6.4938 6.4938 6.6148 6.6148 6.7108 6.7108 6.7626 6.7626 7.4142 7.4142 7.6633 7.6633 11.2021 11.2021 11.4837 11.4837 11.9684 11.9684 12.2192 12.2192 k = 0.0000 0.0000 0.2924 ( 3247 PWs) bands (ev): -6.1306 -6.1306 -5.7220 -5.7220 2.4869 2.4869 3.1578 3.1578 3.7281 3.7281 3.9944 3.9944 4.5290 4.5290 4.9821 4.9821 5.1121 5.1121 5.8971 5.8971 5.9635 5.9635 6.3529 6.3529 6.5049 6.5049 6.6122 6.6122 6.7262 6.7262 6.7616 6.7616 7.3860 7.3860 7.6264 7.6264 11.2420 11.2420 11.5775 11.5775 11.9025 11.9025 12.2511 12.2511 k = 0.0000 0.0000 0.3051 ( 3247 PWs) bands (ev): -6.1028 -6.1028 -5.7537 -5.7537 2.5532 2.5532 3.0932 3.0932 3.7201 3.7201 3.9894 3.9894 4.5375 4.5375 4.9913 4.9913 5.1139 5.1139 5.8967 5.8967 5.9647 5.9647 6.3534 6.3534 6.5149 6.5149 6.6101 6.6101 6.7401 6.7401 6.7607 6.7607 7.3619 7.3619 7.5946 7.5946 11.2820 11.2820 11.6640 11.6640 11.8411 11.8411 12.2758 12.2758 k = 0.0000 0.0000 0.3178 ( 3247 PWs) bands (ev): -6.0767 -6.0767 -5.7829 -5.7829 2.6203 2.6203 3.0273 3.0273 3.7140 3.7140 3.9856 3.9856 4.5441 4.5441 4.9984 4.9984 5.1154 5.1154 5.8963 5.8963 5.9658 5.9658 6.3536 6.3536 6.5233 6.5233 6.6086 6.6086 6.7520 6.7520 6.7599 6.7599 7.3425 7.3425 7.5686 7.5686 11.3207 11.3207 11.7396 11.7396 11.7857 11.7857 12.2928 12.2928 k = 0.0000 0.0000 0.3305 ( 3255 PWs) bands (ev): -6.0540 -6.0540 -5.8078 -5.8078 2.6879 2.6879 2.9604 2.9604 3.7097 3.7097 3.9827 3.9827 4.5489 4.5489 5.0033 5.0033 5.1167 5.1167 5.8961 5.8961 5.9664 5.9664 6.3539 6.3539 6.5297 6.5297 6.6076 6.6076 6.7592 6.7592 6.7611 6.7611 7.3282 7.3282 7.5493 7.5493 11.3553 11.3553 11.7391 11.7391 11.7999 11.7999 12.3027 12.3027 k = 0.0000 0.0000 0.3433 ( 3256 PWs) bands (ev): -6.0378 -6.0378 -5.8255 -5.8255 2.7558 2.7558 2.8929 2.8929 3.7072 3.7072 3.9811 3.9811 4.5518 4.5518 5.0063 5.0063 5.1175 5.1175 5.8959 5.8959 5.9669 5.9669 6.3540 6.3540 6.5337 6.5337 6.6070 6.6070 6.7588 6.7588 6.7669 6.7669 7.3195 7.3195 7.5374 7.5374 11.3809 11.3809 11.7063 11.7063 11.8394 11.8394 12.3071 12.3071 k = 0.0000 0.0000 0.3560 ( 3264 PWs) bands (ev): -6.0317 -6.0317 -5.8320 -5.8320 2.8173 2.8173 2.8316 2.8316 3.7064 3.7064 3.9805 3.9805 4.5528 4.5528 5.0072 5.0072 5.1177 5.1177 5.8958 5.8958 5.9670 5.9670 6.3541 6.3541 6.5350 6.5350 6.6068 6.6068 6.7586 6.7586 6.7688 6.7688 7.3166 7.3166 7.5334 7.5334 11.3907 11.3907 11.6941 11.6941 11.8533 11.8533 12.3082 12.3082 k = 0.0000 0.0000 0.3560 ( 3264 PWs) bands (ev): -6.0317 -6.0317 -5.8320 -5.8320 2.8173 2.8173 2.8316 2.8316 3.7064 3.7064 3.9805 3.9805 4.5528 4.5528 5.0072 5.0072 5.1177 5.1177 5.8958 5.8958 5.9670 5.9670 6.3541 6.3541 6.5350 6.5350 6.6068 6.6068 6.7586 6.7586 6.7688 6.7688 7.3166 7.3166 7.5334 7.5334 11.3907 11.3907 11.6941 11.6941 11.8533 11.8533 12.3082 12.3082 k = 0.0000 0.0125 0.3560 ( 3250 PWs) bands (ev): -6.0311 -6.0311 -5.8315 -5.8315 2.8119 2.8119 2.8342 2.8342 3.7071 3.7071 3.9808 3.9808 4.5517 4.5517 5.0060 5.0060 5.1178 5.1178 5.8947 5.8947 5.9678 5.9678 6.3536 6.3536 6.5312 6.5312 6.6101 6.6101 6.7454 6.7454 6.7815 6.7815 7.3164 7.3164 7.5329 7.5329 11.3940 11.3940 11.6997 11.6997 11.8580 11.8580 12.3070 12.3070 k = 0.0000 0.0250 0.3560 ( 3246 PWs) bands (ev): -6.0295 -6.0295 -5.8301 -5.8301 2.8001 2.8001 2.8375 2.8375 3.7093 3.7093 3.9817 3.9817 4.5482 4.5482 5.0021 5.0021 5.1179 5.1179 5.8916 5.8916 5.9700 5.9700 6.3520 6.3520 6.5212 6.5212 6.6181 6.6181 6.7274 6.7274 6.7977 6.7977 7.3156 7.3156 7.5313 7.5313 11.4033 11.4033 11.7162 11.7162 11.8727 11.8727 12.3034 12.3034 k = 0.0000 0.0375 0.3560 ( 3246 PWs) bands (ev): -6.0268 -6.0268 -5.8278 -5.8278 2.7844 2.7844 2.8391 2.8391 3.7128 3.7128 3.9831 3.9831 4.5424 4.5424 4.9956 4.9956 5.1182 5.1182 5.8868 5.8868 5.9732 5.9732 6.3492 6.3492 6.5074 6.5074 6.6278 6.6278 6.7091 6.7091 6.8142 6.8142 7.3143 7.3143 7.5289 7.5289 11.4169 11.4169 11.7432 11.7432 11.8983 11.8983 12.2979 12.2979 k = 0.0000 0.0500 0.3560 ( 3250 PWs) bands (ev): -6.0230 -6.0230 -5.8246 -5.8246 2.7652 2.7652 2.8387 2.8387 3.7177 3.7177 3.9851 3.9851 4.5343 4.5343 4.9864 4.9864 5.1191 5.1191 5.8807 5.8807 5.9768 5.9768 6.3453 6.3453 6.4912 6.4912 6.6346 6.6346 6.6938 6.6938 6.8310 6.8310 7.3125 7.3125 7.5257 7.5257 11.4323 11.4323 11.7793 11.7793 11.9362 11.9362 12.2915 12.2915 k = 0.0000 0.0625 0.3560 ( 3258 PWs) bands (ev): -6.0181 -6.0181 -5.8206 -5.8206 2.7424 2.7424 2.8362 2.8362 3.7240 3.7240 3.9877 3.9877 4.5240 4.5240 4.9747 4.9747 5.1209 5.1209 5.8736 5.8736 5.9805 5.9805 6.3403 6.3403 6.4734 6.4734 6.6306 6.6306 6.6893 6.6893 6.8484 6.8484 7.3101 7.3101 7.5221 7.5221 11.4467 11.4467 11.8227 11.8227 11.9871 11.9871 12.2861 12.2861 k = 0.0000 0.0750 0.3560 ( 3262 PWs) bands (ev): -6.0122 -6.0122 -5.8156 -5.8156 2.7162 2.7162 2.8316 2.8316 3.7315 3.7315 3.9910 3.9910 4.5114 4.5114 4.9606 4.9606 5.1236 5.1236 5.8658 5.8658 5.9839 5.9839 6.3342 6.3342 6.4542 6.4542 6.6135 6.6135 6.6979 6.6979 6.8666 6.8666 7.3071 7.3071 7.5184 7.5184 11.4579 11.4579 11.8700 11.8700 12.0501 12.0501 12.2859 12.2859 k = 0.0000 0.0875 0.3560 ( 3254 PWs) bands (ev): -6.0053 -6.0053 -5.8099 -5.8099 2.6865 2.6865 2.8247 2.8247 3.7402 3.7402 3.9950 3.9950 4.4968 4.4968 4.9446 4.9446 5.1274 5.1274 5.8575 5.8575 5.9868 5.9868 6.3270 6.3270 6.4339 6.4339 6.5906 6.5906 6.7132 6.7132 6.8856 6.8856 7.3037 7.3037 7.5148 7.5148 11.4645 11.4645 11.9153 11.9153 12.1205 12.1205 12.3001 12.3001 k = 0.0000 0.1000 0.3560 ( 3258 PWs) bands (ev): -5.9973 -5.9973 -5.8033 -5.8033 2.6536 2.6536 2.8156 2.8156 3.7501 3.7501 3.9996 3.9996 4.4802 4.4802 4.9270 4.9270 5.1323 5.1323 5.8487 5.8487 5.9889 5.9889 6.3184 6.3184 6.4127 6.4127 6.5655 6.5655 6.7315 6.7315 6.9053 6.9053 7.2999 7.2999 7.5116 7.5116 11.4659 11.4659 11.9494 11.9494 12.1899 12.1899 12.3432 12.3432 k = 0.0000 0.1125 0.3560 ( 3262 PWs) bands (ev): -5.9884 -5.9884 -5.7959 -5.7959 2.6175 2.6175 2.8039 2.8039 3.7609 3.7609 4.0050 4.0050 4.4621 4.4621 4.9084 4.9084 5.1383 5.1383 5.8395 5.8395 5.9899 5.9899 6.3086 6.3086 6.3910 6.3910 6.5399 6.5399 6.7517 6.7517 6.9258 6.9258 7.2957 7.2957 7.5089 7.5089 11.4618 11.4618 11.9635 11.9635 12.2563 12.2563 12.4224 12.4224 k = 0.0000 0.1250 0.3560 ( 3266 PWs) bands (ev): -5.9786 -5.9786 -5.7879 -5.7879 2.5785 2.5785 2.7895 2.7895 3.7727 3.7727 4.0110 4.0110 4.4427 4.4427 4.8891 4.8891 5.1453 5.1453 5.8299 5.8299 5.9899 5.9899 6.2971 6.2971 6.3691 6.3691 6.5146 6.5146 6.7735 6.7735 6.9470 6.9470 7.2913 7.2913 7.5070 7.5070 11.4522 11.4522 11.9561 11.9561 12.3282 12.3282 12.5255 12.5255 k = 0.0000 0.1375 0.3560 ( 3260 PWs) bands (ev): -5.9679 -5.9679 -5.7792 -5.7792 2.5370 2.5370 2.7723 2.7723 3.7854 3.7854 4.0177 4.0177 4.4226 4.4226 4.8695 4.8695 5.1534 5.1534 5.8201 5.8201 5.9888 5.9888 6.2841 6.2841 6.3477 6.3477 6.4899 6.4899 6.7966 6.7966 6.9689 6.9689 7.2869 7.2869 7.5060 7.5060 11.4371 11.4371 11.9321 11.9321 12.4084 12.4084 12.6380 12.6380 k = 0.0000 0.1500 0.3560 ( 3252 PWs) bands (ev): -5.9563 -5.9563 -5.7698 -5.7698 2.4930 2.4930 2.7519 2.7519 3.7987 3.7987 4.0251 4.0251 4.4023 4.4023 4.8498 4.8498 5.1624 5.1624 5.8101 5.8101 5.9864 5.9864 6.2692 6.2692 6.3274 6.3274 6.4659 6.4659 6.8208 6.8208 6.9914 6.9914 7.2827 7.2827 7.5058 7.5058 11.4166 11.4166 11.8966 11.8966 12.4943 12.4943 12.7486 12.7486 k = 0.0000 0.1625 0.3560 ( 3244 PWs) bands (ev): -5.9439 -5.9439 -5.7599 -5.7599 2.4471 2.4471 2.7283 2.7283 3.8127 3.8127 4.0332 4.0332 4.3824 4.3824 4.8304 4.8304 5.1723 5.1723 5.7999 5.7999 5.9827 5.9827 6.2524 6.2524 6.3085 6.3085 6.4426 6.4426 6.8459 6.8459 7.0143 7.0143 7.2790 7.2790 7.5066 7.5066 11.3904 11.3904 11.8529 11.8529 12.5826 12.5826 12.8463 12.8463 k = 0.0000 0.1750 0.3560 ( 3244 PWs) bands (ev): -5.9308 -5.9308 -5.7495 -5.7495 2.3994 2.3994 2.7011 2.7011 3.8271 3.8271 4.0419 4.0419 4.3637 4.3637 4.8112 4.8112 5.1832 5.1832 5.7895 5.7895 5.9777 5.9777 6.2343 6.2343 6.2909 6.2909 6.4198 6.4198 6.8716 6.8716 7.0377 7.0377 7.2758 7.2758 7.5081 7.5081 11.3588 11.3588 11.8030 11.8030 12.6704 12.6704 12.9213 12.9213 k = 0.0000 0.1875 0.3560 ( 3246 PWs) bands (ev): -5.9170 -5.9170 -5.7387 -5.7387 2.3504 2.3504 2.6704 2.6704 3.8419 3.8419 4.0511 4.0511 4.3467 4.3467 4.7924 4.7924 5.1949 5.1949 5.7792 5.7792 5.9714 5.9714 6.2154 6.2154 6.2744 6.2744 6.3976 6.3976 6.8980 6.8980 7.0614 7.0614 7.2733 7.2733 7.5105 7.5105 11.3216 11.3216 11.7483 11.7483 12.7551 12.7551 12.9702 12.9702 k = 0.0000 0.2000 0.3560 ( 3236 PWs) bands (ev): -5.9025 -5.9025 -5.7275 -5.7275 2.3004 2.3004 2.6361 2.6361 3.8568 3.8568 4.0608 4.0608 4.3320 4.3320 4.7741 4.7741 5.2077 5.2077 5.7689 5.7689 5.9642 5.9642 6.1965 6.1965 6.2586 6.2586 6.3758 6.3758 6.9247 6.9247 7.0854 7.0854 7.2718 7.2718 7.5136 7.5136 11.2793 11.2793 11.6894 11.6894 12.8338 12.8338 12.9987 12.9987 k = 0.0000 0.2125 0.3560 ( 3238 PWs) bands (ev): -5.8875 -5.8875 -5.7161 -5.7161 2.2498 2.2498 2.5983 2.5983 3.8718 3.8718 4.0709 4.0709 4.3202 4.3202 4.7561 4.7561 5.2211 5.2211 5.7586 5.7586 5.9560 5.9560 6.1778 6.1778 6.2429 6.2429 6.3542 6.3542 6.9515 6.9515 7.1095 7.1095 7.2714 7.2714 7.5174 7.5174 11.2320 11.2320 11.6271 11.6271 12.9014 12.9014 13.0191 13.0191 k = 0.0000 0.2250 0.3560 ( 3240 PWs) bands (ev): -5.8720 -5.8720 -5.7044 -5.7044 2.1989 2.1989 2.5571 2.5571 3.8868 3.8868 4.0814 4.0814 4.3115 4.3115 4.7385 4.7385 5.2354 5.2354 5.7485 5.7485 5.9470 5.9470 6.1598 6.1598 6.2274 6.2274 6.3328 6.3328 6.9783 6.9783 7.1336 7.1336 7.2723 7.2723 7.5217 7.5217 11.1804 11.1804 11.5619 11.5619 12.9471 12.9471 13.0494 13.0494 k = 0.0000 0.2375 0.3560 ( 3234 PWs) bands (ev): -5.8560 -5.8560 -5.6926 -5.6926 2.1480 2.1480 2.5128 2.5128 3.9018 3.9018 4.0923 4.0923 4.3061 4.3061 4.7213 4.7213 5.2505 5.2505 5.7387 5.7387 5.9376 5.9376 6.1424 6.1424 6.2117 6.2117 6.3115 6.3115 7.0049 7.0049 7.1576 7.1576 7.2747 7.2747 7.5266 7.5266 11.1251 11.1251 11.4942 11.4942 12.9673 12.9673 13.0981 13.0981 k = 0.0000 0.2500 0.3560 ( 3242 PWs) bands (ev): -5.8397 -5.8397 -5.6808 -5.6808 2.0977 2.0977 2.4657 2.4657 3.9165 3.9165 4.1036 4.1036 4.3040 4.3040 4.7045 4.7045 5.2662 5.2662 5.7292 5.7292 5.9279 5.9279 6.1255 6.1255 6.1958 6.1958 6.2903 6.2903 7.0309 7.0309 7.1810 7.1810 7.2788 7.2788 7.5319 7.5319 11.0668 11.0668 11.4246 11.4246 12.9761 12.9761 13.1544 13.1544 k = 0.0000 0.2625 0.3560 ( 3238 PWs) bands (ev): -5.8231 -5.8231 -5.6691 -5.6691 2.0481 2.0481 2.4162 2.4162 3.9311 3.9311 4.1153 4.1153 4.3051 4.3051 4.6880 4.6880 5.2828 5.2828 5.7200 5.7200 5.9181 5.9181 6.1093 6.1093 6.1799 6.1799 6.2692 6.2692 7.0564 7.0564 7.2035 7.2035 7.2852 7.2852 7.5376 7.5376 11.0063 11.0063 11.3536 11.3536 12.9833 12.9833 13.2106 13.2106 k = 0.0000 0.2750 0.3560 ( 3242 PWs) bands (ev): -5.8062 -5.8062 -5.6574 -5.6574 1.9997 1.9997 2.3648 2.3648 3.9456 3.9456 4.1272 4.1272 4.3091 4.3091 4.6719 4.6719 5.3000 5.3000 5.7114 5.7114 5.9085 5.9085 6.0934 6.0934 6.1636 6.1636 6.2482 6.2482 7.0810 7.0810 7.2243 7.2243 7.2944 7.2944 7.5436 7.5436 10.9444 10.9444 11.2816 11.2816 12.9924 12.9924 13.2644 13.2644 k = 0.0000 0.2875 0.3560 ( 3246 PWs) bands (ev): -5.7893 -5.7893 -5.6461 -5.6461 1.9527 1.9527 2.3119 2.3119 3.9599 3.9599 4.1395 4.1395 4.3156 4.3156 4.6561 4.6561 5.3178 5.3178 5.7033 5.7033 5.8993 5.8993 6.0779 6.0779 6.1471 6.1471 6.2272 6.2272 7.1046 7.1046 7.2425 7.2425 7.3070 7.3070 7.5498 7.5498 10.8820 10.8820 11.2091 11.2091 13.0045 13.0045 13.3153 13.3153 k = 0.0000 0.3000 0.3560 ( 3250 PWs) bands (ev): -5.7724 -5.7724 -5.6350 -5.6350 1.9075 1.9075 2.2581 2.2581 3.9742 3.9742 4.1520 4.1520 4.3241 4.3241 4.6407 4.6407 5.3363 5.3363 5.6958 5.6958 5.8905 5.8905 6.0626 6.0626 6.1303 6.1303 6.2063 6.2063 7.1272 7.1272 7.2578 7.2578 7.3233 7.3233 7.5561 7.5561 10.8197 10.8197 11.1367 11.1367 13.0202 13.0202 13.3629 13.3629 k = 0.0000 0.3125 0.3560 ( 3246 PWs) bands (ev): -5.7555 -5.7555 -5.6244 -5.6244 1.8644 1.8644 2.2039 2.2039 3.9886 3.9886 4.1645 4.1645 4.3343 4.3343 4.6257 4.6257 5.3554 5.3554 5.6890 5.6890 5.8824 5.8824 6.0475 6.0475 6.1134 6.1134 6.1857 6.1857 7.1487 7.1487 7.2705 7.2705 7.3427 7.3427 7.5626 7.5626 10.7584 10.7584 11.0648 11.0648 13.0394 13.0394 13.4070 13.4070 k = 0.0000 0.3250 0.3560 ( 3250 PWs) bands (ev): -5.7388 -5.7388 -5.6143 -5.6143 1.8237 1.8237 2.1497 2.1497 4.0030 4.0030 4.1769 4.1769 4.3458 4.3458 4.6112 4.6112 5.3750 5.3750 5.6830 5.6830 5.8750 5.8750 6.0324 6.0324 6.0962 6.0962 6.1653 6.1653 7.1690 7.1690 7.2816 7.2816 7.3639 7.3639 7.5690 7.5690 10.6989 10.6989 10.9939 10.9939 13.0620 13.0620 13.4465 13.4465 k = 0.0000 0.3375 0.3560 ( 3254 PWs) bands (ev): -5.7223 -5.7223 -5.6048 -5.6048 1.7856 1.7856 2.0961 2.0961 4.0176 4.0176 4.1889 4.1889 4.3580 4.3580 4.5973 4.5973 5.3950 5.3950 5.6777 5.6777 5.8684 5.8684 6.0175 6.0175 6.0787 6.0787 6.1453 6.1453 7.1881 7.1881 7.2916 7.2916 7.3860 7.3860 7.5753 7.5753 10.6417 10.6417 10.9245 10.9245 13.0878 13.0878 13.4621 13.4621 k = 0.0000 0.3500 0.3560 ( 3258 PWs) bands (ev): -5.7061 -5.7061 -5.5961 -5.5961 1.7504 1.7504 2.0435 2.0435 4.0324 4.0324 4.2003 4.2003 4.3708 4.3708 4.5840 4.5840 5.4154 5.4154 5.6732 5.6732 5.8625 5.8625 6.0027 6.0027 6.0610 6.0610 6.1258 6.1258 7.2061 7.2061 7.3009 7.3009 7.4082 7.4082 7.5814 7.5814 10.5874 10.5874 10.8569 10.8569 13.1165 13.1165 13.4489 13.4489 k = 0.0000 0.3625 0.3560 ( 3260 PWs) bands (ev): -5.6904 -5.6904 -5.5881 -5.5881 1.7183 1.7183 1.9924 1.9924 4.0473 4.0473 4.2108 4.2108 4.3837 4.3837 4.5715 4.5715 5.4362 5.4362 5.6696 5.6696 5.8574 5.8574 5.9882 5.9882 6.0432 6.0432 6.1069 6.1069 7.2230 7.2230 7.3097 7.3097 7.4302 7.4302 7.5871 7.5871 10.5368 10.5368 10.7916 10.7916 13.1476 13.1476 13.4366 13.4366 k = 0.0000 0.3750 0.3560 ( 3260 PWs) bands (ev): -5.6752 -5.6752 -5.5809 -5.5809 1.6895 1.6895 1.9431 1.9431 4.0623 4.0623 4.2200 4.2200 4.3965 4.3965 4.5599 4.5599 5.4571 5.4571 5.6667 5.6667 5.8531 5.8531 5.9739 5.9739 6.0255 6.0255 6.0887 6.0887 7.2389 7.2389 7.3178 7.3178 7.4514 7.4514 7.5924 7.5924 10.4903 10.4903 10.7290 10.7290 13.1809 13.1809 13.4277 13.4277 k = 0.0000 0.3875 0.3560 ( 3258 PWs) bands (ev): -5.6607 -5.6607 -5.5748 -5.5748 1.6643 1.6643 1.8960 1.8960 4.0775 4.0775 4.2277 4.2277 4.4090 4.4090 4.5492 4.5492 5.4782 5.4782 5.6646 5.6646 5.8494 5.8494 5.9599 5.9599 6.0082 6.0082 6.0712 6.0712 7.2538 7.2538 7.3252 7.3252 7.4718 7.4718 7.5972 7.5972 10.4484 10.4484 10.6695 10.6695 13.2158 13.2158 13.4228 13.4228 k = 0.0000 0.4000 0.3560 ( 3254 PWs) bands (ev): -5.6468 -5.6468 -5.5696 -5.5696 1.6427 1.6427 1.8514 1.8514 4.0927 4.0927 4.2336 4.2336 4.4210 4.4210 4.5396 4.5396 5.4992 5.4992 5.6631 5.6631 5.8461 5.8461 5.9462 5.9462 5.9917 5.9917 6.0546 6.0546 7.2677 7.2677 7.3317 7.3317 7.4911 7.4911 7.6012 7.6012 10.4115 10.4115 10.6134 10.6134 13.2520 13.2520 13.4221 13.4221 k = 0.0000 0.4125 0.3560 ( 3254 PWs) bands (ev): -5.6337 -5.6337 -5.5655 -5.5655 1.6250 1.6250 1.8097 1.8097 4.1079 4.1079 4.2374 4.2374 4.4323 4.4323 4.5310 4.5310 5.5201 5.5201 5.6621 5.6621 5.8433 5.8433 5.9325 5.9325 5.9768 5.9768 6.0388 6.0388 7.2806 7.2806 7.3372 7.3372 7.5091 7.5091 7.6044 7.6044 10.3800 10.3800 10.5611 10.5611 13.2890 13.2890 13.4258 13.4258 k = 0.0000 0.4250 0.3560 ( 3250 PWs) bands (ev): -5.6215 -5.6215 -5.5625 -5.5625 1.6113 1.6113 1.7712 1.7712 4.1229 4.1229 4.2390 4.2390 4.4429 4.4429 4.5235 4.5235 5.5405 5.5405 5.6613 5.6613 5.8408 5.8408 5.9187 5.9187 5.9645 5.9645 6.0239 6.0239 7.2926 7.2926 7.3417 7.3417 7.5258 7.5258 7.6067 7.6067 10.3542 10.3542 10.5129 10.5129 13.3262 13.3262 13.4342 13.4342 k = 0.0000 0.4375 0.3560 ( 3258 PWs) bands (ev): -5.6102 -5.6102 -5.5607 -5.5607 1.6017 1.6017 1.7360 1.7360 4.1377 4.1377 4.2382 4.2382 4.4527 4.4527 4.5169 4.5169 5.5602 5.5602 5.6603 5.6603 5.8386 5.8386 5.9044 5.9044 5.9553 5.9553 6.0100 6.0100 7.3035 7.3035 7.3449 7.3449 7.5409 7.5409 7.6078 7.6078 10.3343 10.3343 10.4691 10.4691 13.3631 13.3631 13.4474 13.4474 k = 0.0000 0.4500 0.3560 ( 3270 PWs) bands (ev): -5.6000 -5.6000 -5.5601 -5.5601 1.5962 1.5962 1.7044 1.7044 4.1521 4.1521 4.2352 4.2352 4.4616 4.4616 4.5110 4.5110 5.5790 5.5790 5.6588 5.6588 5.8369 5.8369 5.8901 5.8901 5.9496 5.9496 5.9969 5.9969 7.3133 7.3133 7.3468 7.3468 7.5546 7.5546 7.6077 7.6077 10.3205 10.3205 10.4302 10.4302 13.3992 13.3992 13.4655 13.4655 k = 0.0000 0.4625 0.3560 ( 3272 PWs) bands (ev): -5.5908 -5.5908 -5.5608 -5.5608 1.5950 1.5950 1.6765 1.6765 4.1661 4.1661 4.2300 4.2300 4.4697 4.4697 4.5056 4.5056 5.5966 5.5966 5.6563 5.6563 5.8362 5.8362 5.8763 5.8763 5.9475 5.9475 5.9850 5.9850 7.3220 7.3220 7.3473 7.3473 7.5667 7.5667 7.6064 7.6064 10.3129 10.3129 10.3963 10.3963 13.4343 13.4343 13.4882 13.4882 k = 0.0000 0.4750 0.3560 ( 3264 PWs) bands (ev): -5.5828 -5.5828 -5.5627 -5.5627 1.5980 1.5980 1.6526 1.6526 4.1795 4.1795 4.2229 4.2229 4.4771 4.4771 4.5005 4.5005 5.6124 5.6124 5.6523 5.6523 5.8370 5.8370 5.8639 5.8639 5.9484 5.9484 5.9745 5.9745 7.3296 7.3296 7.3466 7.3466 7.5772 7.5772 7.6036 7.6036 10.3116 10.3116 10.3677 10.3677 13.4685 13.4685 13.5146 13.5146 k = 0.0000 0.4875 0.3560 ( 3256 PWs) bands (ev): -5.5759 -5.5759 -5.5658 -5.5658 1.6053 1.6053 1.6327 1.6327 4.1921 4.1921 4.2140 4.2140 4.4838 4.4838 4.4953 4.4953 5.6262 5.6262 5.6461 5.6461 5.8400 5.8400 5.8534 5.8534 5.9520 5.9520 5.9653 5.9653 7.3359 7.3359 7.3444 7.3444 7.5862 7.5862 7.5993 7.5993 10.3166 10.3166 10.3448 10.3448 13.5023 13.5023 13.5430 13.5430 k = 0.0000 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.5702 -5.5702 -5.5702 -5.5702 1.6169 1.6169 1.6169 1.6169 4.2037 4.2037 4.2037 4.2037 4.4898 4.4898 4.4898 4.4898 5.6375 5.6375 5.6375 5.6375 5.8455 5.8455 5.8455 5.8455 5.9578 5.9578 5.9578 5.9578 7.3408 7.3408 7.3408 7.3408 7.5936 7.5936 7.5936 7.5936 10.3277 10.3277 10.3277 10.3277 13.5348 13.5348 13.5348 13.5348 k = 0.0000 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.5702 -5.5702 -5.5702 -5.5702 1.6169 1.6169 1.6169 1.6169 4.2037 4.2037 4.2037 4.2037 4.4898 4.4898 4.4898 4.4898 5.6375 5.6375 5.6375 5.6375 5.8455 5.8455 5.8455 5.8455 5.9578 5.9578 5.9578 5.9578 7.3408 7.3408 7.3408 7.3408 7.5936 7.5936 7.5936 7.5936 10.3277 10.3277 10.3277 10.3277 13.5348 13.5348 13.5348 13.5348 k = 0.0125 0.5000 0.3560 ( 3264 PWs) bands (ev): -5.5698 -5.5698 -5.5698 -5.5698 1.6173 1.6173 1.6186 1.6186 4.1925 4.1925 4.2115 4.2115 4.4807 4.4807 4.4973 4.4973 5.6346 5.6346 5.6392 5.6392 5.8413 5.8413 5.8483 5.8483 5.9569 5.9569 5.9604 5.9604 7.3074 7.3074 7.3622 7.3622 7.5607 7.5607 7.6277 7.6277 10.3233 10.3233 10.3441 10.3441 13.4773 13.4773 13.4942 13.4942 k = 0.0250 0.5000 0.3560 ( 3264 PWs) bands (ev): -5.5685 -5.5685 -5.5684 -5.5684 1.6197 1.6197 1.6223 1.6223 4.1780 4.1780 4.2157 4.2157 4.4705 4.4705 4.5034 4.5034 5.6308 5.6308 5.6400 5.6400 5.8364 5.8364 5.8501 5.8501 5.9581 5.9581 5.9647 5.9647 7.2667 7.2667 7.3641 7.3641 7.5374 7.5374 7.6586 7.6586 10.3311 10.3311 10.3721 10.3721 13.4083 13.4083 13.4301 13.4301 k = 0.0375 0.5000 0.3560 ( 3260 PWs) bands (ev): -5.5663 -5.5663 -5.5662 -5.5662 1.6241 1.6241 1.6280 1.6280 4.1604 4.1604 4.2163 4.2163 4.4592 4.4592 4.5081 4.5081 5.6261 5.6261 5.6396 5.6396 5.8310 5.8310 5.8507 5.8507 5.9612 5.9612 5.9704 5.9704 7.2208 7.2208 7.3403 7.3403 7.5303 7.5303 7.6842 7.6842 10.3510 10.3510 10.4110 10.4110 13.3375 13.3375 13.3643 13.3643 k = 0.0500 0.5000 0.3560 ( 3260 PWs) bands (ev): -5.5632 -5.5632 -5.5631 -5.5631 1.6306 1.6306 1.6358 1.6358 4.1395 4.1395 4.2127 4.2127 4.4472 4.4472 4.5114 4.5114 5.6206 5.6206 5.6381 5.6381 5.8253 5.8253 5.8503 5.8503 5.9659 5.9659 5.9771 5.9771 7.1712 7.1712 7.2962 7.2962 7.5348 7.5348 7.7035 7.7035 10.3823 10.3823 10.4600 10.4600 13.2659 13.2659 13.2978 13.2978 k = 0.0625 0.5000 0.3560 ( 3252 PWs) bands (ev): -5.5593 -5.5593 -5.5591 -5.5591 1.6390 1.6390 1.6456 1.6456 4.1154 4.1154 4.2048 4.2048 4.4348 4.4348 4.5134 4.5134 5.6144 5.6144 5.6356 5.6356 5.8194 5.8194 5.8491 5.8491 5.9720 5.9720 5.9846 5.9846 7.1190 7.1190 7.2409 7.2409 7.5429 7.5429 7.7161 7.7161 10.4242 10.4242 10.5179 10.5179 13.1941 13.1941 13.2314 13.2314 k = 0.0750 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.5545 -5.5545 -5.5543 -5.5543 1.6495 1.6495 1.6575 1.6575 4.0882 4.0882 4.1920 4.1920 4.4225 4.4225 4.5140 4.5140 5.6075 5.6075 5.6320 5.6320 5.8135 5.8135 5.8473 5.8473 5.9790 5.9790 5.9927 5.9927 7.0652 7.0652 7.1799 7.1799 7.5501 7.5501 7.7221 7.7221 10.4758 10.4758 10.5836 10.5836 13.1228 13.1228 13.1657 13.1657 k = 0.0875 0.5000 0.3560 ( 3252 PWs) bands (ev): -5.5489 -5.5489 -5.5487 -5.5487 1.6618 1.6618 1.6713 1.6713 4.0577 4.0577 4.1743 4.1743 4.4104 4.4104 4.5134 4.5134 5.6000 5.6000 5.6274 5.6274 5.8075 5.8075 5.8451 5.8451 5.9865 5.9865 6.0011 6.0011 7.0106 7.0106 7.1162 7.1162 7.5544 7.5544 7.7215 7.7215 10.5359 10.5359 10.6559 10.6559 13.0527 13.0527 13.1013 13.1013 k = 0.1000 0.5000 0.3560 ( 3256 PWs) bands (ev): -5.5425 -5.5425 -5.5422 -5.5422 1.6761 1.6761 1.6870 1.6870 4.0242 4.0242 4.1513 4.1513 4.3989 4.3989 4.5117 4.5117 5.5920 5.5920 5.6220 5.6220 5.8014 5.8014 5.8427 5.8427 5.9944 5.9944 6.0097 6.0097 6.9559 6.9559 7.0516 7.0516 7.5550 7.5550 7.7149 7.7149 10.6032 10.6032 10.7338 10.7338 12.9845 12.9845 13.0388 13.0388 k = 0.1125 0.5000 0.3560 ( 3260 PWs) bands (ev): -5.5353 -5.5353 -5.5351 -5.5351 1.6922 1.6922 1.7048 1.7048 3.9875 3.9875 4.1234 4.1234 4.3879 4.3879 4.5088 4.5088 5.5836 5.5836 5.6157 5.6157 5.7950 5.7950 5.8401 5.8401 6.0024 6.0024 6.0185 6.0185 6.9019 6.9019 6.9874 6.9874 7.5517 7.5517 7.7027 7.7027 10.6764 10.6764 10.8161 10.8161 12.9189 12.9189 12.9791 12.9791 k = 0.1250 0.5000 0.3560 ( 3252 PWs) bands (ev): -5.5274 -5.5274 -5.5272 -5.5272 1.7101 1.7101 1.7244 1.7244 3.9480 3.9480 4.0907 4.0907 4.3774 4.3774 4.5048 4.5048 5.5750 5.5750 5.6090 5.6090 5.7884 5.7884 5.8375 5.8375 6.0103 6.0103 6.0273 6.0273 6.8491 6.8491 6.9245 6.9245 7.5446 7.5446 7.6854 7.6854 10.7545 10.7545 10.9018 10.9018 12.8565 12.8565 12.9226 12.9226 k = 0.1375 0.5000 0.3560 ( 3252 PWs) bands (ev): -5.5189 -5.5189 -5.5186 -5.5186 1.7298 1.7298 1.7458 1.7458 3.9056 3.9056 4.0537 4.0537 4.3670 4.3670 4.4997 4.4997 5.5661 5.5661 5.6017 5.6017 5.7813 5.7813 5.8346 5.8346 6.0180 6.0180 6.0359 6.0359 6.7982 6.7982 6.8637 6.8637 7.5336 7.5336 7.6635 7.6635 10.8361 10.8361 10.9899 10.9899 12.7979 12.7979 12.8700 12.8700 k = 0.1500 0.5000 0.3560 ( 3260 PWs) bands (ev): -5.5097 -5.5097 -5.5094 -5.5094 1.7512 1.7512 1.7691 1.7691 3.8607 3.8607 4.0127 4.0127 4.3566 4.3566 4.4935 4.4935 5.5570 5.5570 5.5941 5.5941 5.7736 5.7736 5.8315 5.8315 6.0253 6.0253 6.0444 6.0444 6.7493 6.7493 6.8054 6.8054 7.5190 7.5190 7.6375 7.6375 10.9204 10.9204 11.0798 11.0798 12.7436 12.7436 12.8217 12.8217 k = 0.1625 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.4999 -5.4999 -5.4995 -5.4995 1.7742 1.7742 1.7941 1.7941 3.8134 3.8134 3.9684 3.9684 4.3460 4.3460 4.4861 4.4861 5.5480 5.5480 5.5864 5.5864 5.7652 5.7652 5.8283 5.8283 6.0323 6.0323 6.0528 6.0528 6.7030 6.7030 6.7502 6.7502 7.5011 7.5011 7.6081 7.6081 11.0064 11.0064 11.1705 11.1705 12.6940 12.6940 12.7781 12.7781 k = 0.1750 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.4895 -5.4895 -5.4892 -5.4892 1.7987 1.7987 1.8208 1.8208 3.7640 3.7640 3.9213 3.9213 4.3348 4.3348 4.4776 4.4776 5.5390 5.5390 5.5786 5.5786 5.7561 5.7561 5.8247 5.8247 6.0387 6.0387 6.0608 6.0608 6.6593 6.6593 6.6982 6.6982 7.4803 7.4803 7.5756 7.5756 11.0934 11.0934 11.2616 11.2616 12.6494 12.6494 12.7395 12.7395 k = 0.1875 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.4787 -5.4787 -5.4783 -5.4783 1.8247 1.8247 1.8491 1.8491 3.7127 3.7127 3.8717 3.8717 4.3230 4.3230 4.4678 4.4678 5.5300 5.5300 5.5707 5.5707 5.7462 5.7462 5.8208 5.8208 6.0446 6.0446 6.0685 6.0685 6.6185 6.6185 6.6496 6.6496 7.4568 7.4568 7.5407 7.5407 11.1807 11.1807 11.3526 11.3526 12.6100 12.6100 12.7061 12.7061 k = 0.2000 0.5000 0.3560 ( 3256 PWs) bands (ev): -5.4674 -5.4674 -5.4671 -5.4671 1.8520 1.8520 1.8789 1.8789 3.6600 3.6600 3.8202 3.8202 4.3104 4.3104 4.4566 4.4566 5.5213 5.5213 5.5630 5.5630 5.7355 5.7355 5.8165 5.8165 6.0499 6.0499 6.0758 6.0758 6.5803 6.5803 6.6044 6.6044 7.4310 7.4310 7.5038 7.5038 11.2678 11.2678 11.4431 11.4431 12.5761 12.5761 12.6782 12.6782 k = 0.2125 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.4558 -5.4558 -5.4554 -5.4554 1.8806 1.8806 1.9101 1.9101 3.6062 3.6062 3.7675 3.7675 4.2969 4.2969 4.4441 4.4441 5.5129 5.5129 5.5556 5.5556 5.7243 5.7243 5.8118 5.8118 6.0547 6.0547 6.0828 6.0828 6.5449 6.5449 6.5625 6.5625 7.4034 7.4034 7.4656 7.4656 11.3544 11.3544 11.5328 11.5328 12.5478 12.5478 12.6558 12.6558 k = 0.2250 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.4439 -5.4439 -5.4435 -5.4435 1.9102 1.9102 1.9426 1.9426 3.5516 3.5516 3.7138 3.7138 4.2824 4.2824 4.4302 4.4302 5.5047 5.5047 5.5483 5.5483 5.7126 5.7126 5.8068 5.8068 6.0589 6.0589 6.0894 6.0894 6.5119 6.5119 6.5238 6.5238 7.3743 7.3743 7.4263 7.4263 11.4401 11.4401 11.6215 11.6215 12.5250 12.5250 12.6391 12.6391 k = 0.2375 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.4317 -5.4317 -5.4313 -5.4313 1.9408 1.9408 1.9763 1.9763 3.4966 3.4966 3.6599 3.6599 4.2667 4.2667 4.4148 4.4148 5.4969 5.4969 5.5413 5.5413 5.7006 5.7006 5.8014 5.8014 6.0626 6.0626 6.0956 6.0956 6.4813 6.4813 6.4879 6.4879 7.3442 7.3442 7.3867 7.3867 11.5246 11.5246 11.7089 11.7089 12.5080 12.5080 12.6279 12.6279 k = 0.2500 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.4194 -5.4194 -5.4190 -5.4190 1.9721 1.9721 2.0110 2.0110 3.4418 3.4418 3.6061 3.6061 4.2500 4.2500 4.3979 4.3979 5.4896 5.4896 5.5347 5.5347 5.6885 5.6885 5.7957 5.7957 6.0657 6.0657 6.1014 6.1014 6.4526 6.4526 6.4546 6.4546 7.3135 7.3135 7.3471 7.3471 11.6079 11.6079 11.7950 11.7950 12.4966 12.4966 12.6222 12.6222 k = 0.2625 0.5000 0.3560 ( 3252 PWs) bands (ev): -5.4070 -5.4070 -5.4066 -5.4066 2.0039 2.0039 2.0465 2.0465 3.3876 3.3876 3.5530 3.5530 4.2321 4.2321 4.3794 4.3794 5.4827 5.4827 5.5284 5.5284 5.6765 5.6765 5.7897 5.7897 6.0682 6.0682 6.1067 6.1067 6.4236 6.4236 6.4256 6.4256 7.2826 7.2826 7.3082 7.3082 11.6898 11.6898 11.8796 11.8796 12.4908 12.4908 12.6221 12.6221 k = 0.2750 0.5000 0.3560 ( 3252 PWs) bands (ev): -5.3946 -5.3946 -5.3942 -5.3942 2.0361 2.0361 2.0826 2.0826 3.3343 3.3343 3.5010 3.5010 4.2131 4.2131 4.3593 4.3593 5.4763 5.4763 5.5224 5.5224 5.6649 5.6649 5.7836 5.7836 6.0701 6.0701 6.1116 6.1116 6.3945 6.3945 6.4002 6.4002 7.2519 7.2519 7.2702 7.2702 11.7701 11.7701 11.9625 11.9625 12.4907 12.4907 12.6272 12.6272 k = 0.2875 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.3822 -5.3822 -5.3818 -5.3818 2.0684 2.0684 2.1190 2.1190 3.2825 3.2825 3.4507 3.4507 4.1929 4.1929 4.3376 4.3376 5.4705 5.4705 5.5168 5.5168 5.6540 5.6540 5.7775 5.7775 6.0715 6.0715 6.1159 6.1159 6.3670 6.3670 6.3760 6.3760 7.2218 7.2218 7.2337 7.2337 11.8488 11.8488 12.0435 12.0435 12.4963 12.4963 12.6376 12.6376 k = 0.3000 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.3700 -5.3700 -5.3696 -5.3696 2.1005 2.1005 2.1555 2.1555 3.2327 3.2327 3.4026 3.4026 4.1716 4.1716 4.3144 4.3144 5.4651 5.4651 5.5116 5.5116 5.6438 5.6438 5.7713 5.7713 6.0722 6.0722 6.1198 6.1198 6.3409 6.3409 6.3529 6.3529 7.1927 7.1927 7.1990 7.1990 11.9259 11.9259 12.1220 12.1220 12.5078 12.5078 12.6529 12.6529 k = 0.3125 0.5000 0.3560 ( 3236 PWs) bands (ev): -5.3580 -5.3580 -5.3576 -5.3576 2.1321 2.1321 2.1917 2.1917 3.1855 3.1855 3.3571 3.3571 4.1493 4.1493 4.2897 4.2897 5.4604 5.4604 5.5066 5.5066 5.6347 5.6347 5.7652 5.7652 6.0722 6.0722 6.1230 6.1230 6.3162 6.3162 6.3308 6.3308 7.1649 7.1649 7.1664 7.1664 12.0011 12.0011 12.1975 12.1975 12.5255 12.5255 12.6731 12.6731 k = 0.3250 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.3463 -5.3463 -5.3459 -5.3459 2.1629 2.1629 2.2270 2.2270 3.1414 3.1414 3.3146 3.3146 4.1261 4.1261 4.2635 4.2635 5.4562 5.4562 5.5019 5.5019 5.6268 5.6268 5.7591 5.7591 6.0712 6.0712 6.1254 6.1254 6.2925 6.2925 6.3098 6.3098 7.1362 7.1362 7.1385 7.1385 12.0744 12.0744 12.2690 12.2690 12.5499 12.5499 12.6977 12.6977 k = 0.3375 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.3350 -5.3350 -5.3347 -5.3347 2.1925 2.1925 2.2611 2.2611 3.1010 3.1010 3.2756 3.2756 4.1021 4.1021 4.2360 4.2360 5.4525 5.4525 5.4973 5.4973 5.6202 5.6202 5.7532 5.7532 6.0693 6.0693 6.1269 6.1269 6.2702 6.2702 6.2899 6.2899 7.1084 7.1084 7.1138 7.1138 12.1457 12.1457 12.3353 12.3353 12.5819 12.5819 12.7265 12.7265 k = 0.3500 0.5000 0.3560 ( 3236 PWs) bands (ev): -5.3242 -5.3242 -5.3238 -5.3238 2.2205 2.2205 2.2933 2.2933 3.0650 3.0650 3.2403 3.2403 4.0777 4.0777 4.2074 4.2074 5.4495 5.4495 5.4929 5.4929 5.6152 5.6152 5.7474 5.7474 6.0663 6.0663 6.1271 6.1271 6.2494 6.2494 6.2714 6.2714 7.0835 7.0835 7.0910 7.0910 12.2147 12.2147 12.3951 12.3951 12.6220 12.6220 12.7590 12.7590 k = 0.3625 0.5000 0.3560 ( 3236 PWs) bands (ev): -5.3139 -5.3139 -5.3135 -5.3135 2.2468 2.2468 2.3229 2.3229 3.0341 3.0341 3.2090 3.2090 4.0530 4.0530 4.1779 4.1779 5.4470 5.4470 5.4887 5.4887 5.6118 5.6118 5.7416 5.7416 6.0620 6.0620 6.1257 6.1257 6.2307 6.2307 6.2547 6.2547 7.0611 7.0611 7.0701 7.0701 12.2812 12.2812 12.4479 12.4479 12.6701 12.6701 12.7949 12.7949 k = 0.3750 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.3042 -5.3042 -5.3039 -5.3039 2.2708 2.2708 2.3492 2.3492 3.0090 3.0090 3.1819 3.1819 4.0283 4.0283 4.1477 4.1477 5.4450 5.4450 5.4844 5.4844 5.6098 5.6098 5.7358 5.7358 6.0564 6.0564 6.1218 6.1218 6.2146 6.2146 6.2398 6.2398 7.0412 7.0412 7.0512 7.0512 12.3450 12.3450 12.4942 12.4942 12.7248 12.7248 12.8336 12.8336 k = 0.3875 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.2952 -5.2952 -5.2949 -5.2949 2.2925 2.2925 2.3714 2.3714 2.9902 2.9902 3.1589 3.1589 4.0042 4.0042 4.1172 4.1172 5.4436 5.4436 5.4803 5.4803 5.6095 5.6095 5.7300 5.7300 6.0498 6.0498 6.1150 6.1150 6.2021 6.2021 6.2270 6.2270 7.0240 7.0240 7.0342 7.0342 12.4057 12.4057 12.5353 12.5353 12.7836 12.7836 12.8743 12.8743 k = 0.4000 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.2869 -5.2869 -5.2867 -5.2867 2.3117 2.3117 2.3891 2.3891 2.9781 2.9781 3.1398 3.1398 3.9811 3.9811 4.0866 4.0866 5.4427 5.4427 5.4763 5.4763 5.6108 5.6108 5.7240 5.7240 6.0423 6.0423 6.1052 6.1052 6.1932 6.1932 6.2164 6.2164 7.0092 7.0092 7.0193 7.0193 12.4629 12.4629 12.5725 12.5725 12.8440 12.8440 12.9162 12.9162 k = 0.4125 0.5000 0.3560 ( 3240 PWs) bands (ev): -5.2795 -5.2795 -5.2792 -5.2792 2.3284 2.3284 2.4019 2.4019 2.9727 2.9727 3.1242 3.1242 3.9596 3.9596 4.0565 4.0565 5.4423 5.4423 5.4725 5.4725 5.6135 5.6135 5.7178 5.7178 6.0346 6.0346 6.0931 6.0931 6.1876 6.1876 6.2079 6.2079 6.9967 6.9967 7.0063 7.0063 12.5161 12.5161 12.6065 12.6065 12.9036 12.9036 12.9584 12.9584 k = 0.4250 0.5000 0.3560 ( 3236 PWs) bands (ev): -5.2729 -5.2729 -5.2727 -5.2727 2.3428 2.3428 2.4100 2.4100 2.9736 2.9736 3.1113 3.1113 3.9403 3.9403 4.0273 4.0273 5.4423 5.4423 5.4687 5.4687 5.6176 5.6176 5.7113 5.7113 6.0272 6.0272 6.0797 6.0797 6.1843 6.1843 6.2012 6.2012 6.9864 6.9864 6.9951 6.9951 12.5649 12.5649 12.6375 12.6375 12.9605 12.9605 12.9996 12.9996 k = 0.4375 0.5000 0.3560 ( 3236 PWs) bands (ev): -5.2672 -5.2672 -5.2671 -5.2671 2.3551 2.3551 2.4139 2.4139 2.9799 2.9799 3.1005 3.1005 3.9238 3.9238 3.9996 3.9996 5.4427 5.4427 5.4652 5.4652 5.6230 5.6230 5.7042 5.7042 6.0206 6.0206 6.0660 6.0660 6.1826 6.1826 6.1959 6.1959 6.9780 6.9780 6.9856 6.9856 12.6084 12.6084 12.6650 12.6650 13.0126 13.0126 13.0387 13.0387 k = 0.4500 0.5000 0.3560 ( 3240 PWs) bands (ev): -5.2625 -5.2625 -5.2624 -5.2624 2.3656 2.3656 2.4143 2.4143 2.9902 2.9902 3.0907 3.0907 3.9109 3.9109 3.9740 3.9740 5.4436 5.4436 5.4618 5.4618 5.6294 5.6294 5.6966 5.6966 6.0155 6.0155 6.0530 6.0530 6.1818 6.1818 6.1919 6.1919 6.9715 6.9715 6.9778 6.9778 12.6462 12.6462 12.6886 12.6886 13.0581 13.0581 13.0740 13.0740 k = 0.4625 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.2588 -5.2588 -5.2587 -5.2587 2.3747 2.3747 2.4121 2.4121 3.0033 3.0033 3.0810 3.0810 3.9022 3.9022 3.9511 3.9511 5.4448 5.4448 5.4586 5.4586 5.6367 5.6367 5.6885 5.6885 6.0122 6.0122 6.0411 6.0411 6.1816 6.1816 6.1889 6.1889 6.9667 6.9667 6.9716 6.9716 12.6773 12.6773 12.7074 12.7074 13.0955 13.0955 13.1040 13.1040 k = 0.4750 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.2562 -5.2562 -5.2561 -5.2561 2.3828 2.3828 2.4081 2.4081 3.0178 3.0178 3.0708 3.0708 3.8982 3.8982 3.9316 3.9316 5.4464 5.4464 5.4556 5.4556 5.6447 5.6447 5.6800 5.6800 6.0112 6.0112 6.0309 6.0309 6.1819 6.1819 6.1865 6.1865 6.9637 6.9637 6.9670 6.9670 12.7013 12.7013 12.7204 12.7204 13.1232 13.1232 13.1271 13.1271 k = 0.4875 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.2545 -5.2545 -5.2545 -5.2545 2.3901 2.3901 2.4028 2.4028 3.0325 3.0325 3.0594 3.0594 3.8991 3.8991 3.9161 3.9161 5.4482 5.4482 5.4529 5.4529 5.6533 5.6533 5.6711 5.6711 6.0126 6.0126 6.0225 6.0225 6.1825 6.1825 6.1847 6.1847 6.9622 6.9622 6.9639 6.9639 12.7177 12.7177 12.7269 12.7269 13.1403 13.1403 13.1416 13.1416 k = 0.5000 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.2540 -5.2540 -5.2540 -5.2540 2.3967 2.3967 2.3967 2.3967 3.0465 3.0465 3.0465 3.0465 3.9051 3.9051 3.9051 3.9051 5.4504 5.4504 5.4504 5.4504 5.6622 5.6622 5.6622 5.6622 6.0164 6.0164 6.0164 6.0164 6.1834 6.1834 6.1834 6.1834 6.9623 6.9623 6.9623 6.9623 12.7262 12.7262 12.7262 12.7262 13.1464 13.1464 13.1464 13.1464 k = 0.5000 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.2540 -5.2540 -5.2540 -5.2540 2.3967 2.3967 2.3967 2.3967 3.0465 3.0465 3.0465 3.0465 3.9051 3.9051 3.9051 3.9051 5.4504 5.4504 5.4504 5.4504 5.6622 5.6622 5.6622 5.6622 6.0164 6.0164 6.0164 6.0164 6.1834 6.1834 6.1834 6.1834 6.9623 6.9623 6.9623 6.9623 12.7262 12.7262 12.7262 12.7262 13.1464 13.1464 13.1464 13.1464 k = 0.4911 0.4911 0.3560 ( 3248 PWs) bands (ev): -5.2547 -5.2547 -5.2544 -5.2544 2.3899 2.3899 2.4030 2.4030 3.0323 3.0323 3.0595 3.0595 3.8991 3.8991 3.9162 3.9162 5.4482 5.4482 5.4530 5.4530 5.6532 5.6532 5.6713 5.6713 6.0124 6.0124 6.0227 6.0227 6.1825 6.1825 6.1848 6.1848 6.9619 6.9619 6.9642 6.9642 12.7155 12.7155 12.7289 12.7289 13.1352 13.1352 13.1466 13.1466 k = 0.4821 0.4821 0.3560 ( 3248 PWs) bands (ev): -5.2567 -5.2567 -5.2557 -5.2557 2.3818 2.3818 2.4093 2.4093 3.0170 3.0170 3.0712 3.0712 3.8981 3.8981 3.9321 3.9321 5.4460 5.4460 5.4560 5.4560 5.6444 5.6444 5.6803 5.6803 6.0103 6.0103 6.0320 6.0320 6.1818 6.1818 6.1865 6.1865 6.9620 6.9620 6.9688 6.9688 12.6896 12.6896 12.7320 12.7320 13.1031 13.1031 13.1472 13.1472 k = 0.4732 0.4732 0.3560 ( 3240 PWs) bands (ev): -5.2600 -5.2600 -5.2578 -5.2578 2.3720 2.3720 2.4160 2.4160 3.0009 3.0009 3.0816 3.0816 3.9022 3.9022 3.9522 3.9522 5.4438 5.4438 5.4597 5.4597 5.6360 5.6360 5.6892 5.6892 6.0095 6.0095 6.0445 6.0445 6.1815 6.1815 6.1889 6.1889 6.9621 6.9621 6.9764 6.9764 12.6486 12.6486 12.7365 12.7365 13.0531 13.0531 13.1483 13.1483 k = 0.4643 0.4643 0.3560 ( 3238 PWs) bands (ev): -5.2647 -5.2647 -5.2607 -5.2607 2.3604 2.3604 2.4237 2.4237 2.9845 2.9845 3.0910 3.0910 3.9109 3.9109 3.9761 3.9761 5.4414 5.4414 5.4641 5.4641 5.6281 5.6281 5.6979 5.6979 6.0097 6.0097 6.0603 6.0603 6.1815 6.1815 6.1919 6.1919 6.9624 6.9624 6.9871 6.9871 12.5950 12.5950 12.7425 12.7425 12.9893 12.9893 13.1499 13.1499 k = 0.4554 0.4554 0.3560 ( 3230 PWs) bands (ev): -5.2706 -5.2706 -5.2645 -5.2645 2.3469 2.3469 2.4324 2.4324 2.9681 2.9681 3.0997 3.0997 3.9240 3.9240 4.0032 4.0032 5.4388 5.4388 5.4695 5.4695 5.6209 5.6209 5.7063 5.7063 6.0106 6.0106 6.0792 6.0792 6.1821 6.1821 6.1958 6.1958 6.9627 6.9627 7.0010 7.0010 12.5314 12.5314 12.7491 12.7491 12.9162 12.9162 13.1522 13.1522 k = 0.4464 0.4464 0.3560 ( 3230 PWs) bands (ev): -5.2778 -5.2778 -5.2691 -5.2691 2.3315 2.3315 2.4421 2.4421 2.9523 2.9523 3.1080 3.1080 3.9406 3.9406 4.0329 4.0329 5.4359 5.4359 5.4758 5.4758 5.6143 5.6143 5.7143 5.7143 6.0120 6.0120 6.1004 6.1004 6.1835 6.1835 6.2007 6.2007 6.9631 6.9631 7.0180 7.0180 12.4605 12.4605 12.7528 12.7528 12.8403 12.8403 13.1553 13.1553 k = 0.4375 0.4375 0.3560 ( 3234 PWs) bands (ev): -5.2863 -5.2863 -5.2745 -5.2745 2.3145 2.3145 2.4528 2.4528 2.9375 2.9375 3.1164 3.1164 3.9603 3.9603 4.0645 4.0645 5.4328 5.4328 5.4831 5.4831 5.6086 5.6086 5.7219 5.7219 6.0137 6.0137 6.1222 6.1222 6.1867 6.1867 6.2072 6.2072 6.9635 6.9635 7.0383 7.0383 12.3845 12.3845 12.7242 12.7242 12.7933 12.7933 13.1596 13.1596 k = 0.4286 0.4286 0.3560 ( 3242 PWs) bands (ev): -5.2960 -5.2960 -5.2807 -5.2807 2.2963 2.2963 2.4642 2.4642 2.9244 2.9244 3.1252 3.1252 3.9823 3.9823 4.0976 4.0976 5.4294 5.4294 5.4913 5.4913 5.6039 5.6039 5.7291 5.7291 6.0158 6.0158 6.1413 6.1413 6.1934 6.1934 6.2172 6.2172 6.9640 6.9640 7.0618 7.0618 12.3055 12.3055 12.6458 12.6458 12.7946 12.7946 13.1652 13.1652 k = 0.4196 0.4196 0.3560 ( 3242 PWs) bands (ev): -5.3068 -5.3068 -5.2877 -5.2877 2.2773 2.2773 2.4761 2.4761 2.9135 2.9135 3.1345 3.1345 4.0059 4.0059 4.1316 4.1316 5.4258 5.4258 5.5005 5.5005 5.6002 5.6002 5.7358 5.7358 6.0181 6.0181 6.1534 6.1534 6.2035 6.2035 6.2345 6.2345 6.9646 6.9646 7.0889 7.0889 12.2251 12.2251 12.5576 12.5576 12.8048 12.8048 13.1727 13.1727 k = 0.4107 0.4107 0.3560 ( 3234 PWs) bands (ev): -5.3188 -5.3188 -5.2954 -5.2954 2.2576 2.2576 2.4881 2.4881 2.9054 2.9054 3.1448 3.1448 4.0305 4.0305 4.1660 4.1660 5.4221 5.4221 5.5108 5.5108 5.5977 5.5977 5.7422 5.7422 6.0207 6.0207 6.1592 6.1592 6.2139 6.2139 6.2620 6.2620 6.9652 6.9652 7.1191 7.1191 12.1448 12.1448 12.4680 12.4680 12.8167 12.8167 13.1823 13.1823 k = 0.4018 0.4018 0.3560 ( 3236 PWs) bands (ev): -5.3318 -5.3318 -5.3039 -5.3039 2.2379 2.2379 2.4998 2.4998 2.9007 2.9007 3.1561 3.1561 4.0555 4.0555 4.2005 4.2005 5.4182 5.4182 5.5219 5.5219 5.5963 5.5963 5.7480 5.7480 6.0235 6.0235 6.1616 6.1616 6.2237 6.2237 6.2966 6.2966 6.9659 6.9659 7.1526 7.1526 12.0657 12.0657 12.3786 12.3786 12.8286 12.8286 13.1948 13.1948 k = 0.3929 0.3929 0.3560 ( 3242 PWs) bands (ev): -5.3459 -5.3459 -5.3132 -5.3132 2.2183 2.2183 2.5107 2.5107 2.9002 2.9002 3.1684 3.1684 4.0805 4.0805 4.2345 4.2345 5.4142 5.4142 5.5339 5.5339 5.5962 5.5962 5.7533 5.7533 6.0263 6.0263 6.1625 6.1625 6.2337 6.2337 6.3358 6.3358 6.9666 6.9666 7.1891 7.1891 11.9889 11.9889 12.2906 12.2906 12.8396 12.8396 13.2106 13.2106 k = 0.3839 0.3839 0.3560 ( 3244 PWs) bands (ev): -5.3610 -5.3610 -5.3231 -5.3231 2.1993 2.1993 2.5205 2.5205 2.9042 2.9042 3.1819 3.1819 4.1049 4.1049 4.2679 4.2679 5.4100 5.4100 5.5467 5.5467 5.5976 5.5976 5.7583 5.7583 6.0293 6.0293 6.1627 6.1627 6.2442 6.2442 6.3780 6.3780 6.9673 6.9673 7.2286 7.2286 11.9150 11.9150 12.2048 12.2048 12.8492 12.8492 13.2304 13.2304 k = 0.3750 0.3750 0.3560 ( 3248 PWs) bands (ev): -5.3770 -5.3770 -5.3338 -5.3338 2.1811 2.1811 2.5288 2.5288 2.9132 2.9132 3.1966 3.1966 4.1284 4.1284 4.3004 4.3004 5.4057 5.4057 5.5602 5.5602 5.6002 5.6002 5.7630 5.7630 6.0324 6.0324 6.1626 6.1626 6.2555 6.2555 6.4223 6.4223 6.9681 6.9681 7.2707 7.2707 11.8451 11.8451 12.1215 12.1215 12.8568 12.8568 13.2545 13.2545 k = 0.3661 0.3661 0.3560 ( 3248 PWs) bands (ev): -5.3939 -5.3939 -5.3451 -5.3451 2.1641 2.1641 2.5356 2.5356 2.9274 2.9274 3.2123 3.2123 4.1507 4.1507 4.3317 4.3317 5.4013 5.4013 5.5742 5.5742 5.6045 5.6045 5.7674 5.7674 6.0356 6.0356 6.1623 6.1623 6.2678 6.2678 6.4682 6.4682 6.9689 6.9689 7.3152 7.3152 11.7797 11.7797 12.0415 12.0415 12.8620 12.8620 13.2833 13.2833 k = 0.3571 0.3571 0.3560 ( 3252 PWs) bands (ev): -5.4115 -5.4115 -5.3570 -5.3570 2.1485 2.1485 2.5409 2.5409 2.9467 2.9467 3.2292 3.2292 4.1714 4.1714 4.3616 4.3616 5.3966 5.3966 5.5879 5.5879 5.6110 5.6110 5.7719 5.7719 6.0389 6.0389 6.1621 6.1621 6.2810 6.2810 6.5150 6.5150 6.9698 6.9698 7.3616 7.3616 11.7194 11.7194 11.9650 11.9650 12.8645 12.8645 13.3169 13.3169 k = 0.3482 0.3482 0.3560 ( 3248 PWs) bands (ev): -5.4299 -5.4299 -5.3695 -5.3695 2.1345 2.1345 2.5451 2.5451 2.9708 2.9708 3.2471 3.2471 4.1905 4.1905 4.3901 4.3901 5.3919 5.3919 5.6004 5.6004 5.6206 5.6206 5.7764 5.7764 6.0424 6.0424 6.1619 6.1619 6.2953 6.2953 6.5622 6.5622 6.9707 6.9707 7.4095 7.4095 11.6650 11.6650 11.8927 11.8927 12.8643 12.8643 13.3555 13.3555 k = 0.3393 0.3393 0.3560 ( 3254 PWs) bands (ev): -5.4489 -5.4489 -5.3826 -5.3826 2.1222 2.1222 2.5483 2.5483 2.9995 2.9995 3.2659 3.2659 4.2077 4.2077 4.4172 4.4172 5.3869 5.3869 5.6107 5.6107 5.6341 5.6341 5.7813 5.7813 6.0460 6.0460 6.1617 6.1617 6.3105 6.3105 6.6093 6.6093 6.9717 6.9717 7.4582 7.4582 11.6169 11.6169 11.8247 11.8247 12.8614 12.8614 13.3989 13.3989 k = 0.3304 0.3304 0.3560 ( 3248 PWs) bands (ev): -5.4686 -5.4686 -5.3962 -5.3962 2.1120 2.1120 2.5510 2.5510 3.0324 3.0324 3.2856 3.2856 4.2229 4.2229 4.4426 4.4426 5.3818 5.3818 5.6198 5.6198 5.6504 5.6504 5.7868 5.7868 6.0499 6.0499 6.1619 6.1619 6.3268 6.3268 6.6556 6.6556 6.9726 6.9726 7.5074 7.5074 11.5757 11.5757 11.7616 11.7616 12.8559 12.8559 13.4470 13.4470 k = 0.3214 0.3214 0.3560 ( 3248 PWs) bands (ev): -5.4888 -5.4888 -5.4103 -5.4103 2.1038 2.1038 2.5536 2.5536 3.0689 3.0689 3.3060 3.3060 4.2360 4.2360 4.4665 4.4665 5.3762 5.3762 5.6285 5.6285 5.6685 5.6685 5.7930 5.7930 6.0538 6.0538 6.1624 6.1624 6.3440 6.3440 6.7007 6.7007 6.9738 6.9738 7.5562 7.5562 11.5420 11.5420 11.7037 11.7037 12.8479 12.8479 13.4995 13.4995 k = 0.3125 0.3125 0.3560 ( 3244 PWs) bands (ev): -5.5094 -5.5094 -5.4249 -5.4249 2.0978 2.0978 2.5563 2.5563 3.1087 3.1087 3.3270 3.3270 4.2471 4.2471 4.4890 4.4890 5.3704 5.3704 5.6373 5.6373 5.6878 5.6878 5.8004 5.8004 6.0579 6.0579 6.1633 6.1633 6.3623 6.3623 6.7440 6.7440 6.9751 6.9751 7.6041 7.6041 11.5161 11.5161 11.6514 11.6514 12.8374 12.8374 13.5564 13.5564 k = 0.3036 0.3036 0.3560 ( 3240 PWs) bands (ev): -5.5304 -5.5304 -5.4398 -5.4398 2.0941 2.0941 2.5594 2.5594 3.1515 3.1515 3.3487 3.3487 4.2560 4.2560 4.5100 4.5100 5.3642 5.3642 5.6461 5.6461 5.7078 5.7078 5.8091 5.8091 6.0621 6.0621 6.1647 6.1647 6.3816 6.3816 6.7847 6.7847 6.9766 6.9766 7.6503 7.6503 11.4985 11.4985 11.6051 11.6051 12.8246 12.8246 13.6173 13.6173 k = 0.2946 0.2946 0.3560 ( 3244 PWs) bands (ev): -5.5517 -5.5517 -5.4551 -5.4551 2.0927 2.0927 2.5630 2.5630 3.1969 3.1969 3.3708 3.3708 4.2628 4.2628 4.5296 4.5296 5.3575 5.3575 5.6549 5.6549 5.7285 5.7285 5.8193 5.8193 6.0664 6.0664 6.1668 6.1668 6.4019 6.4019 6.8223 6.8223 6.9786 6.9786 7.6941 7.6941 11.4896 11.4896 11.5651 11.5651 12.8093 12.8093 13.6820 13.6820 k = 0.2857 0.2857 0.3560 ( 3242 PWs) bands (ev): -5.5733 -5.5733 -5.4707 -5.4707 2.0937 2.0937 2.5674 2.5674 3.2446 3.2446 3.3932 3.3932 4.2676 4.2676 4.5480 4.5480 5.3504 5.3504 5.6635 5.6635 5.7497 5.7497 5.8312 5.8312 6.0708 6.0708 6.1696 6.1696 6.4233 6.4233 6.8561 6.8561 6.9812 6.9812 7.7351 7.7351 11.4897 11.4897 11.5317 11.5317 12.7917 12.7917 13.7503 13.7503 k = 0.2768 0.2768 0.3560 ( 3242 PWs) bands (ev): -5.5950 -5.5950 -5.4866 -5.4866 2.0971 2.0971 2.5727 2.5727 3.2942 3.2942 3.4160 3.4160 4.2704 4.2704 4.5651 4.5651 5.3428 5.3428 5.6720 5.6720 5.7712 5.7712 5.8452 5.8452 6.0752 6.0752 6.1733 6.1733 6.4459 6.4459 6.8850 6.8850 6.9849 6.9849 7.7724 7.7724 11.4979 11.4979 11.5063 11.5063 12.7718 12.7718 13.8218 13.8218 k = 0.2679 0.2679 0.3560 ( 3242 PWs) bands (ev): -5.6168 -5.6168 -5.5027 -5.5027 2.1029 2.1029 2.5788 2.5788 3.3454 3.3454 3.4391 3.4391 4.2713 4.2713 4.5813 4.5813 5.3347 5.3347 5.6802 5.6802 5.7929 5.7929 5.8612 5.8612 6.0797 6.0797 6.1780 6.1780 6.4694 6.4694 6.9083 6.9083 6.9904 6.9904 7.8055 7.8055 11.4848 11.4848 11.5185 11.5185 12.7494 12.7494 13.8960 13.8960 k = 0.2589 0.2589 0.3560 ( 3246 PWs) bands (ev): -5.6387 -5.6387 -5.5189 -5.5189 2.1111 2.1111 2.5858 2.5858 3.3976 3.3976 3.4627 3.4627 4.2703 4.2703 4.5966 4.5966 5.3262 5.3262 5.6881 5.6881 5.8144 5.8144 5.8793 5.8793 6.0842 6.0842 6.1838 6.1838 6.4941 6.4941 6.9251 6.9251 6.9981 6.9981 7.8340 7.8340 11.4724 11.4724 11.5467 11.5467 12.7246 12.7246 13.9721 13.9721 k = 0.2500 0.2500 0.3560 ( 3242 PWs) bands (ev): -5.6605 -5.6605 -5.5352 -5.5352 2.1217 2.1217 2.5937 2.5937 3.4491 3.4491 3.4882 3.4882 4.2678 4.2678 4.6110 4.6110 5.3173 5.3173 5.6960 5.6960 5.8357 5.8357 5.8995 5.8995 6.0888 6.0888 6.1906 6.1906 6.5199 6.5199 6.9358 6.9358 7.0077 7.0077 7.8574 7.8574 11.4669 11.4669 11.5844 11.5844 12.6972 12.6972 14.0489 14.0489 k = 0.2411 0.2411 0.3560 ( 3244 PWs) bands (ev): -5.6822 -5.6822 -5.5516 -5.5516 2.1346 2.1346 2.6024 2.6024 3.4923 3.4923 3.5229 3.5229 4.2636 4.2636 4.6248 4.6248 5.3079 5.3079 5.7036 5.7036 5.8563 5.8563 5.9218 5.9218 6.0936 6.0936 6.1987 6.1987 6.5468 6.5468 6.9417 6.9417 7.0174 7.0174 7.8756 7.8756 11.4684 11.4684 11.6314 11.6314 12.6673 12.6673 14.1243 14.1243 k = 0.2321 0.2321 0.3560 ( 3244 PWs) bands (ev): -5.7038 -5.7038 -5.5680 -5.5680 2.1498 2.1498 2.6120 2.6120 3.5206 3.5206 3.5729 3.5729 4.2581 4.2581 4.6382 4.6382 5.2982 5.2982 5.7112 5.7112 5.8761 5.8761 5.9459 5.9459 6.0987 6.0987 6.2079 6.2079 6.5748 6.5748 6.9445 6.9445 7.0260 7.0260 7.8884 7.8884 11.4765 11.4765 11.6875 11.6875 12.6348 12.6348 14.1942 14.1942 k = 0.2232 0.2232 0.3560 ( 3248 PWs) bands (ev): -5.7250 -5.7250 -5.5843 -5.5843 2.1672 2.1672 2.6223 2.6223 3.5437 3.5437 3.6280 3.6280 4.2514 4.2514 4.6511 4.6511 5.2882 5.2882 5.7188 5.7188 5.8948 5.8948 5.9715 5.9715 6.1044 6.1044 6.2182 6.2182 6.6038 6.6038 6.9452 6.9452 7.0323 7.0323 7.8957 7.8957 11.4909 11.4909 11.7524 11.7524 12.5997 12.5997 14.2472 14.2472 k = 0.2143 0.2143 0.3560 ( 3248 PWs) bands (ev): -5.7460 -5.7460 -5.6005 -5.6005 2.1867 2.1867 2.6333 2.6333 3.5651 3.5651 3.6845 3.6845 4.2437 4.2437 4.6638 4.6638 5.2779 5.2779 5.7264 5.7264 5.9125 5.9125 5.9985 5.9985 6.1110 6.1110 6.2297 6.2297 6.6337 6.6337 6.9444 6.9444 7.0361 7.0361 7.8977 7.8977 11.5112 11.5112 11.8254 11.8254 12.5620 12.5620 14.1868 14.1868 k = 0.2054 0.2054 0.3560 ( 3246 PWs) bands (ev): -5.7666 -5.7666 -5.6165 -5.6165 2.2082 2.2082 2.6449 2.6449 3.5853 3.5853 3.7410 3.7410 4.2353 4.2353 4.6764 4.6764 5.2674 5.2674 5.7340 5.7340 5.9288 5.9288 6.0266 6.0266 6.1186 6.1186 6.2423 6.2423 6.6644 6.6644 6.9423 6.9423 7.0373 7.0373 7.8945 7.8945 11.5366 11.5366 11.9060 11.9060 12.5221 12.5221 14.0185 14.0185 k = 0.1964 0.1964 0.3560 ( 3244 PWs) bands (ev): -5.7868 -5.7868 -5.6323 -5.6323 2.2317 2.2317 2.6571 2.6571 3.6047 3.6047 3.7970 3.7970 4.2266 4.2266 4.6890 4.6890 5.2568 5.2568 5.7417 5.7417 5.9435 5.9435 6.0553 6.0553 6.1276 6.1276 6.2560 6.2560 6.6956 6.6956 6.9392 6.9392 7.0363 7.0363 7.8866 7.8866 11.5664 11.5664 11.9934 11.9934 12.4803 12.4803 13.8532 13.8532 k = 0.1875 0.1875 0.3560 ( 3248 PWs) bands (ev): -5.8065 -5.8065 -5.6478 -5.6478 2.2569 2.2569 2.6696 2.6696 3.6230 3.6230 3.8516 3.8516 4.2180 4.2180 4.7017 4.7017 5.2461 5.2461 5.7494 5.7494 5.9564 5.9564 6.0843 6.0843 6.1381 6.1381 6.2709 6.2709 6.7271 6.7271 6.9351 6.9351 7.0335 7.0335 7.8742 7.8742 11.5997 11.5997 12.0861 12.0861 12.4378 12.4378 13.6913 13.6913 k = 0.1786 0.1786 0.3560 ( 3236 PWs) bands (ev): -5.8256 -5.8256 -5.6630 -5.6630 2.2838 2.2838 2.6825 2.6825 3.6402 3.6402 3.9038 3.9038 4.2105 4.2105 4.7148 4.7148 5.2354 5.2354 5.7572 5.7572 5.9674 5.9674 6.1135 6.1135 6.1502 6.1502 6.2872 6.2872 6.7581 6.7581 6.9303 6.9303 7.0299 7.0299 7.8579 7.8579 11.6355 11.6355 12.1801 12.1801 12.3983 12.3983 13.5334 13.5334 k = 0.1696 0.1696 0.3560 ( 3244 PWs) bands (ev): -5.8442 -5.8442 -5.6778 -5.6778 2.3122 2.3122 2.6955 2.6955 3.6563 3.6563 3.9521 3.9521 4.2053 4.2053 4.7283 4.7283 5.2248 5.2248 5.7649 5.7649 5.9765 5.9765 6.1424 6.1424 6.1638 6.1638 6.3046 6.3046 6.7873 6.7873 6.9251 6.9251 7.0262 7.0262 7.8382 7.8382 11.6725 11.6725 12.2548 12.2548 12.3825 12.3825 13.3795 13.3795 k = 0.1607 0.1607 0.3560 ( 3248 PWs) bands (ev): -5.8621 -5.8621 -5.6921 -5.6921 2.3419 2.3419 2.7087 2.7087 3.6712 3.6712 3.9938 3.9938 4.2048 4.2048 4.7423 4.7423 5.2143 5.2143 5.7727 5.7727 5.9837 5.9837 6.1706 6.1706 6.1788 6.1788 6.3236 6.3236 6.8126 6.8126 6.9207 6.9207 7.0238 7.0238 7.8157 7.8157 11.7092 11.7092 12.2559 12.2559 12.4447 12.4447 13.2299 13.2299 k = 0.1518 0.1518 0.3560 ( 3244 PWs) bands (ev): -5.8793 -5.8793 -5.7060 -5.7060 2.3728 2.3728 2.7218 2.7218 3.6847 3.6847 4.0256 4.0256 4.2124 4.2124 4.7570 4.7570 5.2040 5.2040 5.7805 5.7805 5.9893 5.9893 6.1936 6.1936 6.1992 6.1992 6.3442 6.3442 6.8302 6.8302 6.9191 6.9191 7.0247 7.0247 7.7908 7.7908 11.7436 11.7436 12.2196 12.2196 12.5499 12.5499 13.0850 13.0850 k = 0.1429 0.1429 0.3560 ( 3244 PWs) bands (ev): -5.8958 -5.8958 -5.7194 -5.7194 2.4047 2.4047 2.7349 2.7349 3.6968 3.6968 4.0444 4.0444 4.2305 4.2305 4.7726 4.7726 5.1939 5.1939 5.7884 5.7884 5.9934 5.9934 6.2102 6.2102 6.2255 6.2255 6.3664 6.3664 6.8364 6.8364 6.9215 6.9215 7.0315 7.0315 7.7643 7.7643 11.7729 11.7729 12.1797 12.1797 12.6658 12.6658 12.9450 12.9450 k = 0.1339 0.1339 0.3560 ( 3252 PWs) bands (ev): -5.9115 -5.9115 -5.7322 -5.7322 2.4372 2.4372 2.7477 2.7477 3.7073 3.7073 4.0513 4.0513 4.2581 4.2581 4.7890 4.7890 5.1842 5.1842 5.7962 5.7962 5.9962 5.9962 6.2265 6.2265 6.2512 6.2512 6.3903 6.3903 6.8321 6.8321 6.9248 6.9248 7.0463 7.0463 7.7366 7.7366 11.7929 11.7929 12.1453 12.1453 12.7835 12.7835 12.8124 12.8124 k = 0.1250 0.1250 0.3560 ( 3260 PWs) bands (ev): -5.9263 -5.9263 -5.7443 -5.7443 2.4703 2.4703 2.7601 2.7601 3.7162 3.7162 4.0500 4.0500 4.2913 4.2913 4.8064 4.8064 5.1748 5.1748 5.8040 5.8040 5.9980 5.9980 6.2424 6.2424 6.2759 6.2759 6.4156 6.4156 6.8211 6.8211 6.9253 6.9253 7.0689 7.0689 7.7085 7.7085 11.7987 11.7987 12.1226 12.1226 12.6803 12.6803 12.7669 12.7669 k = 0.1161 0.1161 0.3560 ( 3264 PWs) bands (ev): -5.9404 -5.9404 -5.7558 -5.7558 2.5037 2.5037 2.7720 2.7720 3.7234 3.7234 4.0443 4.0443 4.3262 4.3262 4.8247 4.8247 5.1660 5.1660 5.8119 5.8119 5.9988 5.9988 6.2577 6.2577 6.2998 6.2998 6.4422 6.4422 6.8065 6.8065 6.9225 6.9225 7.0969 7.0969 7.6804 7.6804 11.7870 11.7870 12.1150 12.1150 12.5569 12.5569 12.6509 12.6509 k = 0.1071 0.1071 0.3560 ( 3264 PWs) bands (ev): -5.9535 -5.9535 -5.7667 -5.7667 2.5370 2.5370 2.7834 2.7834 3.7288 3.7288 4.0364 4.0364 4.3604 4.3604 4.8439 4.8439 5.1577 5.1577 5.8198 5.8198 5.9988 5.9988 6.2720 6.2720 6.3231 6.3231 6.4695 6.4695 6.7900 6.7900 6.9170 6.9170 7.1277 7.1277 7.6530 7.6530 11.7596 11.7596 12.1209 12.1209 12.4398 12.4398 12.5422 12.5422 k = 0.0982 0.0982 0.3560 ( 3266 PWs) bands (ev): -5.9657 -5.9657 -5.7768 -5.7768 2.5701 2.5701 2.7941 2.7941 3.7324 3.7324 4.0278 4.0278 4.3926 4.3926 4.8637 4.8637 5.1500 5.1500 5.8277 5.8277 5.9980 5.9980 6.2852 6.2852 6.3460 6.3460 6.4972 6.4972 6.7724 6.7724 6.9096 6.9096 7.1593 7.1593 7.6270 7.6270 11.7217 11.7217 12.1346 12.1346 12.3293 12.3293 12.4421 12.4421 k = 0.0893 0.0893 0.3560 ( 3262 PWs) bands (ev): -5.9769 -5.9769 -5.7861 -5.7861 2.6025 2.6025 2.8040 2.8040 3.7341 3.7341 4.0191 4.0191 4.4221 4.4221 4.8839 4.8839 5.1429 5.1429 5.8356 5.8356 5.9965 5.9965 6.2974 6.2974 6.3684 6.3684 6.5249 6.5249 6.7545 6.7545 6.9008 6.9008 7.1903 7.1903 7.6028 7.6028 11.6782 11.6782 12.1493 12.1493 12.2261 12.2261 12.3530 12.3530 k = 0.0804 0.0804 0.3560 ( 3264 PWs) bands (ev): -5.9871 -5.9871 -5.7946 -5.7946 2.6340 2.6340 2.8129 2.8129 3.7340 3.7340 4.0111 4.0111 4.4484 4.4484 4.9040 4.9040 5.1367 5.1367 5.8435 5.8435 5.9944 5.9944 6.3083 6.3083 6.3904 6.3904 6.5522 6.5522 6.7366 6.7366 6.8909 6.8909 7.2195 7.2195 7.5813 7.5813 11.6330 11.6330 12.1298 12.1298 12.1549 12.1549 12.2831 12.2831 k = 0.0714 0.0714 0.3560 ( 3260 PWs) bands (ev): -5.9964 -5.9964 -5.8023 -5.8023 2.6643 2.6643 2.8208 2.8208 3.7324 3.7324 4.0039 4.0039 4.4716 4.4716 4.9236 4.9236 5.1313 5.1313 5.8513 5.8513 5.9918 5.9918 6.3180 6.3180 6.4120 6.4120 6.5786 6.5786 6.7193 6.7193 6.8800 6.8800 7.2457 7.2457 7.5630 7.5630 11.5884 11.5884 12.0426 12.0426 12.1287 12.1287 12.2517 12.2517 k = 0.0625 0.0625 0.3560 ( 3260 PWs) bands (ev): -6.0046 -6.0046 -5.8092 -5.8092 2.6929 2.6929 2.8274 2.8274 3.7294 3.7294 3.9977 3.9977 4.4916 4.4916 4.9420 4.9420 5.1268 5.1268 5.8591 5.8591 5.9885 5.9885 6.3266 6.3266 6.4329 6.4329 6.6033 6.6033 6.7031 6.7031 6.8682 6.8682 7.2681 7.2681 7.5485 7.5485 11.5461 11.5461 11.9638 11.9638 12.0762 12.0762 12.2537 12.2537 k = 0.0536 0.0536 0.3560 ( 3260 PWs) bands (ev): -6.0117 -6.0117 -5.8152 -5.8152 2.7195 2.7195 2.8328 2.8328 3.7256 3.7256 3.9927 3.9927 4.5084 4.5084 4.9589 4.9589 5.1232 5.1232 5.8667 5.8667 5.9849 5.9849 6.3339 6.3339 6.4531 6.4531 6.6251 6.6251 6.6896 6.6896 6.8554 6.8554 7.2861 7.2861 7.5384 7.5384 11.5074 11.5074 11.8941 11.8941 12.0210 12.0210 12.2651 12.2651 k = 0.0446 0.0446 0.3560 ( 3256 PWs) bands (ev): -6.0178 -6.0178 -5.8203 -5.8203 2.7439 2.7439 2.8367 2.8367 3.7211 3.7211 3.9886 3.9886 4.5224 4.5224 4.9736 4.9736 5.1207 5.1207 5.8740 5.8740 5.9811 5.9811 6.3401 6.3401 6.4724 6.4724 6.6392 6.6392 6.6833 6.6833 6.8420 6.8420 7.2991 7.2991 7.5324 7.5324 11.4732 11.4732 11.8342 11.8342 11.9712 11.9712 12.2773 12.2773 k = 0.0357 0.0357 0.3560 ( 3248 PWs) bands (ev): -6.0228 -6.0228 -5.8245 -5.8245 2.7656 2.7656 2.8388 2.8388 3.7166 3.7166 3.9855 3.9855 4.5336 4.5336 4.9858 4.9858 5.1191 5.1191 5.8808 5.8808 5.9771 5.9771 6.3453 6.3453 6.4904 6.4904 6.6384 6.6384 6.6918 6.6918 6.8279 6.8279 7.3077 7.3077 7.5301 7.5301 11.4443 11.4443 11.7844 11.7844 11.9294 11.9294 12.2881 12.2881 k = 0.0268 0.0268 0.3560 ( 3248 PWs) bands (ev): -6.0267 -6.0267 -5.8278 -5.8278 2.7844 2.7844 2.8392 2.8392 3.7125 3.7125 3.9832 3.9832 4.5421 4.5421 4.9953 4.9953 5.1182 5.1182 5.8867 5.8867 5.9733 5.9733 6.3492 6.3492 6.5069 6.5069 6.6289 6.6289 6.7087 6.7087 6.8131 6.8131 7.3127 7.3127 7.5302 7.5302 11.4212 11.4212 11.7452 11.7452 11.8963 11.8963 12.2968 12.2968 k = 0.0179 0.0179 0.3560 ( 3248 PWs) bands (ev): -6.0295 -6.0295 -5.8301 -5.8301 2.8000 2.8000 2.8375 2.8375 3.7092 3.7092 3.9817 3.9817 4.5481 4.5481 5.0020 5.0020 5.1178 5.1178 5.8916 5.8916 5.9701 5.9701 6.3520 6.3520 6.5209 6.5209 6.6184 6.6184 6.7272 6.7272 6.7976 6.7976 7.3153 7.3153 7.5316 7.5316 11.4044 11.4044 11.7169 11.7169 11.8725 11.8725 12.3031 12.3031 k = 0.0089 0.0089 0.3560 ( 3252 PWs) bands (ev): -6.0311 -6.0311 -5.8315 -5.8315 2.8118 2.8118 2.8342 2.8342 3.7071 3.7071 3.9808 3.9808 4.5516 4.5516 5.0060 5.0060 5.1178 5.1178 5.8947 5.8947 5.9678 5.9678 6.3535 6.3535 6.5311 6.5311 6.6101 6.6101 6.7453 6.7453 6.7816 6.7816 7.3163 7.3163 7.5329 7.5329 11.3941 11.3941 11.6998 11.6998 11.8581 11.8581 12.3069 12.3069 k = 0.0000 0.0000 0.3560 ( 3264 PWs) bands (ev): -6.0317 -6.0317 -5.8320 -5.8320 2.8173 2.8173 2.8316 2.8316 3.7064 3.7064 3.9805 3.9805 4.5528 4.5528 5.0072 5.0072 5.1177 5.1177 5.8958 5.8958 5.9670 5.9670 6.3541 6.3541 6.5350 6.5350 6.6068 6.6068 6.7586 6.7586 6.7688 6.7688 7.3166 7.3166 7.5334 7.5334 11.3907 11.3907 11.6941 11.6941 11.8533 11.8533 12.3082 12.3082 k = 0.0000 0.5000-0.0000 ( 3248 PWs) bands (ev): -5.6009 -5.6009 -5.6009 -5.6009 2.4878 2.4878 2.4878 2.4878 3.3789 3.3789 3.3789 3.3789 4.3517 4.3517 4.3517 4.3517 5.6397 5.6397 5.6397 5.6397 5.8646 5.8646 5.8646 5.8646 5.9553 5.9553 5.9553 5.9553 6.7405 6.7405 6.7405 6.7405 7.3935 7.3935 7.3935 7.3935 12.1602 12.1602 12.1602 12.1602 12.5874 12.5874 12.5874 12.5874 k = 0.0000 0.5000 0.0127 ( 3248 PWs) bands (ev): -5.6008 -5.6008 -5.6008 -5.6008 2.4821 2.4821 2.4821 2.4821 3.3850 3.3850 3.3850 3.3850 4.3518 4.3518 4.3518 4.3518 5.6397 5.6397 5.6397 5.6397 5.8645 5.8645 5.8645 5.8645 5.9554 5.9554 5.9554 5.9554 6.7419 6.7419 6.7419 6.7419 7.3939 7.3939 7.3939 7.3939 12.1519 12.1519 12.1519 12.1519 12.5904 12.5904 12.5904 12.5904 k = 0.0000 0.5000 0.0254 ( 3248 PWs) bands (ev): -5.6005 -5.6005 -5.6005 -5.6005 2.4652 2.4652 2.4652 2.4652 3.4028 3.4028 3.4028 3.4028 4.3520 4.3520 4.3520 4.3520 5.6397 5.6397 5.6397 5.6397 5.8643 5.8643 5.8643 5.8643 5.9555 5.9555 5.9555 5.9555 6.7461 6.7461 6.7461 6.7461 7.3950 7.3950 7.3950 7.3950 12.1277 12.1277 12.1277 12.1277 12.5992 12.5992 12.5992 12.5992 k = 0.0000 0.5000 0.0381 ( 3240 PWs) bands (ev): -5.6001 -5.6001 -5.6001 -5.6001 2.4388 2.4388 2.4388 2.4388 3.4309 3.4309 3.4309 3.4309 4.3524 4.3524 4.3524 4.3524 5.6398 5.6398 5.6398 5.6398 5.8640 5.8640 5.8640 5.8640 5.9557 5.9557 5.9557 5.9557 6.7531 6.7531 6.7531 6.7531 7.3969 7.3969 7.3969 7.3969 12.0890 12.0890 12.0890 12.0890 12.6130 12.6130 12.6130 12.6130 k = 0.0000 0.5000 0.0509 ( 3240 PWs) bands (ev): -5.5994 -5.5994 -5.5994 -5.5994 2.4045 2.4045 2.4045 2.4045 3.4674 3.4674 3.4674 3.4674 4.3529 4.3529 4.3529 4.3529 5.6398 5.6398 5.6398 5.6398 5.8635 5.8635 5.8635 5.8635 5.9559 5.9559 5.9559 5.9559 6.7629 6.7629 6.7629 6.7629 7.3995 7.3995 7.3995 7.3995 12.0377 12.0377 12.0377 12.0377 12.6309 12.6309 12.6309 12.6309 k = 0.0000 0.5000 0.0636 ( 3236 PWs) bands (ev): -5.5986 -5.5986 -5.5986 -5.5986 2.3644 2.3644 2.3644 2.3644 3.5102 3.5102 3.5102 3.5102 4.3537 4.3537 4.3537 4.3537 5.6398 5.6398 5.6398 5.6398 5.8629 5.8629 5.8629 5.8629 5.9562 5.9562 5.9562 5.9562 6.7756 6.7756 6.7756 6.7756 7.4028 7.4028 7.4028 7.4028 11.9756 11.9756 11.9756 11.9756 12.6524 12.6524 12.6524 12.6524 k = 0.0000 0.5000 0.0763 ( 3244 PWs) bands (ev): -5.5976 -5.5976 -5.5976 -5.5976 2.3201 2.3201 2.3201 2.3201 3.5575 3.5575 3.5575 3.5575 4.3546 4.3546 4.3546 4.3546 5.6397 5.6397 5.6397 5.6397 5.8622 5.8622 5.8622 5.8622 5.9564 5.9564 5.9564 5.9564 6.7909 6.7909 6.7909 6.7909 7.4067 7.4067 7.4067 7.4067 11.9046 11.9046 11.9046 11.9046 12.6770 12.6770 12.6770 12.6770 k = 0.0000 0.5000 0.0890 ( 3252 PWs) bands (ev): -5.5965 -5.5965 -5.5965 -5.5965 2.2730 2.2730 2.2730 2.2730 3.6078 3.6078 3.6078 3.6078 4.3558 4.3558 4.3558 4.3558 5.6396 5.6396 5.6396 5.6396 5.8614 5.8614 5.8614 5.8614 5.9567 5.9567 5.9567 5.9567 6.8090 6.8090 6.8090 6.8090 7.4113 7.4113 7.4113 7.4113 11.8262 11.8262 11.8262 11.8262 12.7047 12.7047 12.7047 12.7047 k = 0.0000 0.5000 0.1017 ( 3244 PWs) bands (ev): -5.5952 -5.5952 -5.5952 -5.5952 2.2244 2.2244 2.2244 2.2244 3.6599 3.6599 3.6599 3.6599 4.3573 4.3573 4.3573 4.3573 5.6397 5.6397 5.6397 5.6397 5.8605 5.8605 5.8605 5.8605 5.9570 5.9570 5.9570 5.9570 6.8298 6.8298 6.8298 6.8298 7.4166 7.4166 7.4166 7.4166 11.7419 11.7419 11.7419 11.7419 12.7353 12.7353 12.7353 12.7353 k = 0.0000 0.5000 0.1144 ( 3244 PWs) bands (ev): -5.5938 -5.5938 -5.5938 -5.5938 2.1751 2.1751 2.1751 2.1751 3.7125 3.7125 3.7125 3.7125 4.3592 4.3592 4.3592 4.3592 5.6396 5.6396 5.6396 5.6396 5.8596 5.8596 5.8596 5.8596 5.9574 5.9574 5.9574 5.9574 6.8532 6.8532 6.8532 6.8532 7.4224 7.4224 7.4224 7.4224 11.6529 11.6529 11.6529 11.6529 12.7689 12.7689 12.7689 12.7689 k = 0.0000 0.5000 0.1271 ( 3252 PWs) bands (ev): -5.5923 -5.5923 -5.5923 -5.5923 2.1259 2.1259 2.1259 2.1259 3.7648 3.7648 3.7648 3.7648 4.3615 4.3615 4.3615 4.3615 5.6395 5.6395 5.6395 5.6395 5.8586 5.8586 5.8586 5.8586 5.9576 5.9576 5.9576 5.9576 6.8791 6.8791 6.8791 6.8791 7.4288 7.4288 7.4288 7.4288 11.5604 11.5604 11.5604 11.5604 12.8053 12.8053 12.8053 12.8053 k = 0.0000 0.5000 0.1398 ( 3252 PWs) bands (ev): -5.5908 -5.5908 -5.5908 -5.5908 2.0773 2.0773 2.0773 2.0773 3.8161 3.8161 3.8161 3.8161 4.3644 4.3644 4.3644 4.3644 5.6394 5.6394 5.6394 5.6394 5.8575 5.8575 5.8575 5.8575 5.9578 5.9578 5.9578 5.9578 6.9073 6.9073 6.9073 6.9073 7.4357 7.4357 7.4357 7.4357 11.4656 11.4656 11.4656 11.4656 12.8445 12.8445 12.8445 12.8445 k = 0.0000 0.5000 0.1526 ( 3252 PWs) bands (ev): -5.5891 -5.5891 -5.5891 -5.5891 2.0299 2.0299 2.0299 2.0299 3.8656 3.8656 3.8656 3.8656 4.3679 4.3679 4.3679 4.3679 5.6394 5.6394 5.6394 5.6394 5.8565 5.8565 5.8565 5.8565 5.9581 5.9581 5.9581 5.9581 6.9377 6.9377 6.9377 6.9377 7.4431 7.4431 7.4431 7.4431 11.3695 11.3695 11.3695 11.3695 12.8865 12.8865 12.8865 12.8865 k = 0.0000 0.5000 0.1653 ( 3252 PWs) bands (ev): -5.5874 -5.5874 -5.5874 -5.5874 1.9839 1.9839 1.9839 1.9839 3.9128 3.9128 3.9128 3.9128 4.3722 4.3722 4.3722 4.3722 5.6392 5.6392 5.6392 5.6392 5.8554 5.8554 5.8554 5.8554 5.9582 5.9582 5.9582 5.9582 6.9700 6.9700 6.9700 6.9700 7.4510 7.4510 7.4510 7.4510 11.2728 11.2728 11.2728 11.2728 12.9310 12.9310 12.9310 12.9310 k = 0.0000 0.5000 0.1780 ( 3244 PWs) bands (ev): -5.5857 -5.5857 -5.5857 -5.5857 1.9399 1.9399 1.9399 1.9399 3.9571 3.9571 3.9571 3.9571 4.3773 4.3773 4.3773 4.3773 5.6392 5.6392 5.6392 5.6392 5.8544 5.8544 5.8544 5.8544 5.9584 5.9584 5.9584 5.9584 7.0039 7.0039 7.0039 7.0039 7.4594 7.4594 7.4594 7.4594 11.1766 11.1766 11.1766 11.1766 12.9778 12.9778 12.9778 12.9778 k = 0.0000 0.5000 0.1907 ( 3248 PWs) bands (ev): -5.5840 -5.5840 -5.5840 -5.5840 1.8979 1.8979 1.8979 1.8979 3.9979 3.9979 3.9979 3.9979 4.3835 4.3835 4.3835 4.3835 5.6390 5.6390 5.6390 5.6390 5.8534 5.8534 5.8534 5.8534 5.9584 5.9584 5.9584 5.9584 7.0390 7.0390 7.0390 7.0390 7.4683 7.4683 7.4683 7.4683 11.0815 11.0815 11.0815 11.0815 13.0268 13.0268 13.0268 13.0268 k = 0.0000 0.5000 0.2034 ( 3248 PWs) bands (ev): -5.5823 -5.5823 -5.5823 -5.5823 1.8583 1.8583 1.8583 1.8583 4.0351 4.0351 4.0351 4.0351 4.3908 4.3908 4.3908 4.3908 5.6389 5.6389 5.6389 5.6389 5.8523 5.8523 5.8523 5.8523 5.9585 5.9585 5.9585 5.9585 7.0747 7.0747 7.0747 7.0747 7.4777 7.4777 7.4777 7.4777 10.9885 10.9885 10.9885 10.9885 13.0775 13.0775 13.0775 13.0775 k = 0.0000 0.5000 0.2161 ( 3256 PWs) bands (ev): -5.5806 -5.5806 -5.5806 -5.5806 1.8212 1.8212 1.8212 1.8212 4.0681 4.0681 4.0681 4.0681 4.3992 4.3992 4.3992 4.3992 5.6387 5.6387 5.6387 5.6387 5.8513 5.8513 5.8513 5.8513 5.9584 5.9584 5.9584 5.9584 7.1106 7.1106 7.1106 7.1106 7.4876 7.4876 7.4876 7.4876 10.8983 10.8983 10.8983 10.8983 13.1295 13.1295 13.1295 13.1295 k = 0.0000 0.5000 0.2288 ( 3256 PWs) bands (ev): -5.5790 -5.5790 -5.5790 -5.5790 1.7868 1.7868 1.7868 1.7868 4.0969 4.0969 4.0969 4.0969 4.4087 4.4087 4.4087 4.4087 5.6385 5.6385 5.6385 5.6385 5.8504 5.8504 5.8504 5.8504 5.9584 5.9584 5.9584 5.9584 7.1461 7.1461 7.1461 7.1461 7.4980 7.4980 7.4980 7.4980 10.8117 10.8117 10.8117 10.8117 13.1823 13.1823 13.1823 13.1823 k = 0.0000 0.5000 0.2416 ( 3260 PWs) bands (ev): -5.5775 -5.5775 -5.5775 -5.5775 1.7553 1.7553 1.7553 1.7553 4.1215 4.1215 4.1215 4.1215 4.4192 4.4192 4.4192 4.4192 5.6383 5.6383 5.6383 5.6383 5.8495 5.8495 5.8495 5.8495 5.9583 5.9583 5.9583 5.9583 7.1802 7.1802 7.1802 7.1802 7.5090 7.5090 7.5090 7.5090 10.7295 10.7295 10.7295 10.7295 13.2351 13.2351 13.2351 13.2351 k = 0.0000 0.5000 0.2543 ( 3260 PWs) bands (ev): -5.5761 -5.5761 -5.5761 -5.5761 1.7268 1.7268 1.7268 1.7268 4.1420 4.1420 4.1420 4.1420 4.4304 4.4304 4.4304 4.4304 5.6382 5.6382 5.6382 5.6382 5.8487 5.8487 5.8487 5.8487 5.9582 5.9582 5.9582 5.9582 7.2125 7.2125 7.2125 7.2125 7.5206 7.5206 7.5206 7.5206 10.6526 10.6526 10.6526 10.6526 13.2873 13.2873 13.2873 13.2873 k = 0.0000 0.5000 0.2670 ( 3270 PWs) bands (ev): -5.5748 -5.5748 -5.5748 -5.5748 1.7014 1.7014 1.7014 1.7014 4.1588 4.1588 4.1588 4.1588 4.4417 4.4417 4.4417 4.4417 5.6380 5.6380 5.6380 5.6380 5.8479 5.8479 5.8479 5.8479 5.9581 5.9581 5.9581 5.9581 7.2420 7.2420 7.2420 7.2420 7.5327 7.5327 7.5327 7.5327 10.5818 10.5818 10.5818 10.5818 13.3377 13.3377 13.3377 13.3377 k = 0.0000 0.5000 0.2797 ( 3274 PWs) bands (ev): -5.5737 -5.5737 -5.5737 -5.5737 1.6792 1.6792 1.6792 1.6792 4.1722 4.1722 4.1722 4.1722 4.4527 4.4527 4.4527 4.4527 5.6378 5.6378 5.6378 5.6378 5.8472 5.8472 5.8472 5.8472 5.9580 5.9580 5.9580 5.9580 7.2682 7.2682 7.2682 7.2682 7.5450 7.5450 7.5450 7.5450 10.5181 10.5181 10.5181 10.5181 13.3853 13.3853 13.3853 13.3853 k = 0.0000 0.5000 0.2924 ( 3278 PWs) bands (ev): -5.5726 -5.5726 -5.5726 -5.5726 1.6603 1.6603 1.6603 1.6603 4.1827 4.1827 4.1827 4.1827 4.4630 4.4630 4.4630 4.4630 5.6376 5.6376 5.6376 5.6376 5.8466 5.8466 5.8466 5.8466 5.9579 5.9579 5.9579 5.9579 7.2906 7.2906 7.2906 7.2906 7.5572 7.5572 7.5572 7.5572 10.4622 10.4622 10.4622 10.4622 13.4289 13.4289 13.4289 13.4289 k = 0.0000 0.5000 0.3051 ( 3272 PWs) bands (ev): -5.5718 -5.5718 -5.5718 -5.5718 1.6448 1.6448 1.6448 1.6448 4.1907 4.1907 4.1907 4.1907 4.4721 4.4721 4.4721 4.4721 5.6376 5.6376 5.6376 5.6376 5.8462 5.8462 5.8462 5.8462 5.9578 5.9578 5.9578 5.9578 7.3089 7.3089 7.3089 7.3089 7.5687 7.5687 7.5687 7.5687 10.4150 10.4150 10.4150 10.4150 13.4668 13.4668 13.4668 13.4668 k = 0.0000 0.5000 0.3178 ( 3258 PWs) bands (ev): -5.5711 -5.5711 -5.5711 -5.5711 1.6326 1.6326 1.6326 1.6326 4.1966 4.1966 4.1966 4.1966 4.4796 4.4796 4.4796 4.4796 5.6375 5.6375 5.6375 5.6375 5.8459 5.8459 5.8459 5.8459 5.9578 5.9578 5.9578 5.9578 7.3230 7.3230 7.3230 7.3230 7.5789 7.5789 7.5789 7.5789 10.3774 10.3774 10.3774 10.3774 13.4975 13.4975 13.4975 13.4975 k = 0.0000 0.5000 0.3305 ( 3254 PWs) bands (ev): -5.5706 -5.5706 -5.5706 -5.5706 1.6239 1.6239 1.6239 1.6239 4.2006 4.2006 4.2006 4.2006 4.4852 4.4852 4.4852 4.4852 5.6375 5.6375 5.6375 5.6375 5.8456 5.8456 5.8456 5.8456 5.9578 5.9578 5.9578 5.9578 7.3329 7.3329 7.3329 7.3329 7.5868 7.5868 7.5868 7.5868 10.3499 10.3499 10.3499 10.3499 13.5194 13.5194 13.5194 13.5194 k = 0.0000 0.5000 0.3433 ( 3242 PWs) bands (ev): -5.5703 -5.5703 -5.5703 -5.5703 1.6186 1.6186 1.6186 1.6186 4.2029 4.2029 4.2029 4.2029 4.4886 4.4886 4.4886 4.4886 5.6375 5.6375 5.6375 5.6375 5.8455 5.8455 5.8455 5.8455 5.9578 5.9578 5.9578 5.9578 7.3389 7.3389 7.3389 7.3389 7.5918 7.5918 7.5918 7.5918 10.3333 10.3333 10.3333 10.3333 13.5313 13.5313 13.5313 13.5313 k = 0.0000 0.5000 0.3560 ( 3244 PWs) bands (ev): -5.5702 -5.5702 -5.5702 -5.5702 1.6169 1.6169 1.6169 1.6169 4.2037 4.2037 4.2037 4.2037 4.4898 4.4898 4.4898 4.4898 5.6375 5.6375 5.6375 5.6375 5.8455 5.8455 5.8455 5.8455 5.9578 5.9578 5.9578 5.9578 7.3408 7.3408 7.3408 7.3408 7.5936 7.5936 7.5936 7.5936 10.3277 10.3277 10.3277 10.3277 13.5348 13.5348 13.5348 13.5348 k = 0.5000 0.5000-0.0000 ( 3288 PWs) bands (ev): -5.2635 -5.2635 -5.2635 -5.2635 1.7368 1.7368 1.7368 1.7368 3.8683 3.8683 3.8683 3.8683 4.4784 4.4784 4.4784 4.4784 5.3240 5.3240 5.3240 5.3240 5.8490 5.8490 5.8490 5.8490 6.1419 6.1419 6.1419 6.1419 6.2832 6.2832 6.2832 6.2832 6.7649 6.7649 6.7649 6.7649 10.3746 10.3746 10.3746 10.3746 10.5116 10.5116 10.5116 10.5116 k = 0.5000 0.5000 0.0127 ( 3272 PWs) bands (ev): -5.2634 -5.2634 -5.2634 -5.2634 1.7380 1.7380 1.7380 1.7380 3.8674 3.8674 3.8674 3.8674 4.4753 4.4753 4.4753 4.4753 5.3248 5.3248 5.3248 5.3248 5.8484 5.8484 5.8484 5.8484 6.1418 6.1418 6.1418 6.1418 6.2820 6.2820 6.2820 6.2820 6.7663 6.7663 6.7663 6.7663 10.3799 10.3799 10.3799 10.3799 10.5165 10.5165 10.5165 10.5165 k = 0.5000 0.5000 0.0254 ( 3272 PWs) bands (ev): -5.2633 -5.2633 -5.2633 -5.2633 1.7416 1.7416 1.7416 1.7416 3.8645 3.8645 3.8645 3.8645 4.4659 4.4659 4.4659 4.4659 5.3273 5.3273 5.3273 5.3273 5.8460 5.8460 5.8460 5.8460 6.1411 6.1411 6.1411 6.1411 6.2783 6.2783 6.2783 6.2783 6.7704 6.7704 6.7704 6.7704 10.3956 10.3956 10.3956 10.3956 10.5312 10.5312 10.5312 10.5312 k = 0.5000 0.5000 0.0381 ( 3280 PWs) bands (ev): -5.2632 -5.2632 -5.2632 -5.2632 1.7476 1.7476 1.7476 1.7476 3.8596 3.8596 3.8596 3.8596 4.4505 4.4505 4.4505 4.4505 5.3311 5.3311 5.3311 5.3311 5.8423 5.8423 5.8423 5.8423 6.1398 6.1398 6.1398 6.1398 6.2724 6.2724 6.2724 6.2724 6.7769 6.7769 6.7769 6.7769 10.4216 10.4216 10.4216 10.4216 10.5556 10.5556 10.5556 10.5556 k = 0.5000 0.5000 0.0509 ( 3280 PWs) bands (ev): -5.2630 -5.2630 -5.2630 -5.2630 1.7561 1.7561 1.7561 1.7561 3.8527 3.8527 3.8527 3.8527 4.4296 4.4296 4.4296 4.4296 5.3362 5.3362 5.3362 5.3362 5.8372 5.8372 5.8372 5.8372 6.1379 6.1379 6.1379 6.1379 6.2650 6.2650 6.2650 6.2650 6.7855 6.7855 6.7855 6.7855 10.4577 10.4577 10.4577 10.4577 10.5896 10.5896 10.5896 10.5896 k = 0.5000 0.5000 0.0636 ( 3280 PWs) bands (ev): -5.2627 -5.2627 -5.2627 -5.2627 1.7669 1.7669 1.7669 1.7669 3.8436 3.8436 3.8436 3.8436 4.4038 4.4038 4.4038 4.4038 5.3424 5.3424 5.3424 5.3424 5.8309 5.8309 5.8309 5.8309 6.1354 6.1354 6.1354 6.1354 6.2563 6.2563 6.2563 6.2563 6.7957 6.7957 6.7957 6.7957 10.5035 10.5035 10.5035 10.5035 10.6331 10.6331 10.6331 10.6331 k = 0.5000 0.5000 0.0763 ( 3256 PWs) bands (ev): -5.2624 -5.2624 -5.2624 -5.2624 1.7801 1.7801 1.7801 1.7801 3.8322 3.8322 3.8322 3.8322 4.3738 4.3738 4.3738 4.3738 5.3495 5.3495 5.3495 5.3495 5.8236 5.8236 5.8236 5.8236 6.1321 6.1321 6.1321 6.1321 6.2473 6.2473 6.2473 6.2473 6.8071 6.8071 6.8071 6.8071 10.5587 10.5587 10.5587 10.5587 10.6861 10.6861 10.6861 10.6861 k = 0.5000 0.5000 0.0890 ( 3256 PWs) bands (ev): -5.2621 -5.2621 -5.2621 -5.2621 1.7956 1.7956 1.7956 1.7956 3.8183 3.8183 3.8183 3.8183 4.3404 4.3404 4.3404 4.3404 5.3569 5.3569 5.3569 5.3569 5.8151 5.8151 5.8151 5.8151 6.1280 6.1280 6.1280 6.1280 6.2382 6.2382 6.2382 6.2382 6.8191 6.8191 6.8191 6.8191 10.6229 10.6229 10.6229 10.6229 10.7483 10.7483 10.7483 10.7483 k = 0.5000 0.5000 0.1017 ( 3252 PWs) bands (ev): -5.2617 -5.2617 -5.2617 -5.2617 1.8134 1.8134 1.8134 1.8134 3.8017 3.8017 3.8017 3.8017 4.3045 4.3045 4.3045 4.3045 5.3647 5.3647 5.3647 5.3647 5.8059 5.8059 5.8059 5.8059 6.1230 6.1230 6.1230 6.1230 6.2295 6.2295 6.2295 6.2295 6.8315 6.8315 6.8315 6.8315 10.6954 10.6954 10.6954 10.6954 10.8195 10.8195 10.8195 10.8195 k = 0.5000 0.5000 0.1144 ( 3252 PWs) bands (ev): -5.2612 -5.2612 -5.2612 -5.2612 1.8335 1.8335 1.8335 1.8335 3.7820 3.7820 3.7820 3.7820 4.2670 4.2670 4.2670 4.2670 5.3726 5.3726 5.3726 5.3726 5.7960 5.7960 5.7960 5.7960 6.1170 6.1170 6.1170 6.1170 6.2216 6.2216 6.2216 6.2216 6.8438 6.8438 6.8438 6.8438 10.7758 10.7758 10.7758 10.7758 10.8996 10.8996 10.8996 10.8996 k = 0.5000 0.5000 0.1271 ( 3244 PWs) bands (ev): -5.2608 -5.2608 -5.2608 -5.2608 1.8558 1.8558 1.8558 1.8558 3.7588 3.7588 3.7588 3.7588 4.2290 4.2290 4.2290 4.2290 5.3804 5.3804 5.3804 5.3804 5.7857 5.7857 5.7857 5.7857 6.1103 6.1103 6.1103 6.1103 6.2148 6.2148 6.2148 6.2148 6.8560 6.8560 6.8560 6.8560 10.8634 10.8634 10.8634 10.8634 10.9884 10.9884 10.9884 10.9884 k = 0.5000 0.5000 0.1398 ( 3248 PWs) bands (ev): -5.2603 -5.2603 -5.2603 -5.2603 1.8802 1.8802 1.8802 1.8802 3.7320 3.7320 3.7320 3.7320 4.1913 4.1913 4.1913 4.1913 5.3880 5.3880 5.3880 5.3880 5.7751 5.7751 5.7751 5.7751 6.1028 6.1028 6.1028 6.1028 6.2089 6.2089 6.2089 6.2089 6.8677 6.8677 6.8677 6.8677 10.9577 10.9577 10.9577 10.9577 11.0855 11.0855 11.0855 11.0855 k = 0.5000 0.5000 0.1526 ( 3248 PWs) bands (ev): -5.2598 -5.2598 -5.2598 -5.2598 1.9068 1.9068 1.9068 1.9068 3.7010 3.7010 3.7010 3.7010 4.1549 4.1549 4.1549 4.1549 5.3954 5.3954 5.3954 5.3954 5.7644 5.7644 5.7644 5.7644 6.0949 6.0949 6.0949 6.0949 6.2039 6.2039 6.2039 6.2039 6.8788 6.8788 6.8788 6.8788 11.0582 11.0582 11.0582 11.0582 11.1906 11.1906 11.1906 11.1906 k = 0.5000 0.5000 0.1653 ( 3256 PWs) bands (ev): -5.2593 -5.2593 -5.2593 -5.2593 1.9353 1.9353 1.9353 1.9353 3.6658 3.6658 3.6658 3.6658 4.1206 4.1206 4.1206 4.1206 5.4023 5.4023 5.4023 5.4023 5.7536 5.7536 5.7536 5.7536 6.0868 6.0868 6.0868 6.0868 6.1999 6.1999 6.1999 6.1999 6.8893 6.8893 6.8893 6.8893 11.1642 11.1642 11.1642 11.1642 11.3031 11.3031 11.3031 11.3031 k = 0.5000 0.5000 0.1780 ( 3264 PWs) bands (ev): -5.2587 -5.2587 -5.2587 -5.2587 1.9658 1.9658 1.9658 1.9658 3.6265 3.6265 3.6265 3.6265 4.0889 4.0889 4.0889 4.0889 5.4087 5.4087 5.4087 5.4087 5.7431 5.7431 5.7431 5.7431 6.0786 6.0786 6.0786 6.0786 6.1966 6.1966 6.1966 6.1966 6.8991 6.8991 6.8991 6.8991 11.2754 11.2754 11.2754 11.2754 11.4228 11.4228 11.4228 11.4228 k = 0.5000 0.5000 0.1907 ( 3264 PWs) bands (ev): -5.2582 -5.2582 -5.2582 -5.2582 1.9981 1.9981 1.9981 1.9981 3.5832 3.5832 3.5832 3.5832 4.0601 4.0601 4.0601 4.0601 5.4148 5.4148 5.4148 5.4148 5.7328 5.7328 5.7328 5.7328 6.0707 6.0707 6.0707 6.0707 6.1939 6.1939 6.1939 6.1939 6.9082 6.9082 6.9082 6.9082 11.3912 11.3912 11.3912 11.3912 11.5488 11.5488 11.5488 11.5488 k = 0.5000 0.5000 0.2034 ( 3260 PWs) bands (ev): -5.2577 -5.2577 -5.2577 -5.2577 2.0321 2.0321 2.0321 2.0321 3.5364 3.5364 3.5364 3.5364 4.0343 4.0343 4.0343 4.0343 5.4204 5.4204 5.4204 5.4204 5.7231 5.7231 5.7231 5.7231 6.0630 6.0630 6.0630 6.0630 6.1918 6.1918 6.1918 6.1918 6.9166 6.9166 6.9166 6.9166 11.5109 11.5109 11.5109 11.5109 11.6807 11.6807 11.6807 11.6807 k = 0.5000 0.5000 0.2161 ( 3252 PWs) bands (ev): -5.2572 -5.2572 -5.2572 -5.2572 2.0675 2.0675 2.0675 2.0675 3.4869 3.4869 3.4869 3.4869 4.0115 4.0115 4.0115 4.0115 5.4254 5.4254 5.4254 5.4254 5.7138 5.7138 5.7138 5.7138 6.0558 6.0558 6.0558 6.0558 6.1901 6.1901 6.1901 6.1901 6.9242 6.9242 6.9242 6.9242 11.6341 11.6341 11.6341 11.6341 11.8177 11.8177 11.8177 11.8177 k = 0.5000 0.5000 0.2288 ( 3244 PWs) bands (ev): -5.2567 -5.2567 -5.2567 -5.2567 2.1041 2.1041 2.1041 2.1041 3.4353 3.4353 3.4353 3.4353 3.9915 3.9915 3.9915 3.9915 5.4301 5.4301 5.4301 5.4301 5.7052 5.7052 5.7052 5.7052 6.0491 6.0491 6.0491 6.0491 6.1886 6.1886 6.1886 6.1886 6.9311 6.9311 6.9311 6.9311 11.7600 11.7600 11.7600 11.7600 11.9590 11.9590 11.9590 11.9590 k = 0.5000 0.5000 0.2416 ( 3248 PWs) bands (ev): -5.2562 -5.2562 -5.2562 -5.2562 2.1417 2.1417 2.1417 2.1417 3.3826 3.3826 3.3826 3.3826 3.9740 3.9740 3.9740 3.9740 5.4342 5.4342 5.4342 5.4342 5.6972 5.6972 5.6972 5.6972 6.0430 6.0430 6.0430 6.0430 6.1875 6.1875 6.1875 6.1875 6.9372 6.9372 6.9372 6.9372 11.8875 11.8875 11.8875 11.8875 12.1038 12.1038 12.1038 12.1038 k = 0.5000 0.5000 0.2543 ( 3248 PWs) bands (ev): -5.2558 -5.2558 -5.2558 -5.2558 2.1798 2.1798 2.1798 2.1798 3.3296 3.3296 3.3296 3.3296 3.9588 3.9588 3.9588 3.9588 5.4377 5.4377 5.4377 5.4377 5.6900 5.6900 5.6900 5.6900 6.0375 6.0375 6.0375 6.0375 6.1865 6.1865 6.1865 6.1865 6.9426 6.9426 6.9426 6.9426 12.0155 12.0155 12.0155 12.0155 12.2510 12.2510 12.2510 12.2510 k = 0.5000 0.5000 0.2670 ( 3248 PWs) bands (ev): -5.2554 -5.2554 -5.2554 -5.2554 2.2180 2.2180 2.2180 2.2180 3.2773 3.2773 3.2773 3.2773 3.9458 3.9458 3.9458 3.9458 5.4408 5.4408 5.4408 5.4408 5.6835 5.6835 5.6835 5.6835 6.0326 6.0326 6.0326 6.0326 6.1857 6.1857 6.1857 6.1857 6.9473 6.9473 6.9473 6.9473 12.1425 12.1425 12.1425 12.1425 12.3991 12.3991 12.3991 12.3991 k = 0.5000 0.5000 0.2797 ( 3264 PWs) bands (ev): -5.2550 -5.2550 -5.2550 -5.2550 2.2556 2.2556 2.2556 2.2556 3.2268 3.2268 3.2268 3.2268 3.9347 3.9347 3.9347 3.9347 5.4433 5.4433 5.4433 5.4433 5.6778 5.6778 5.6778 5.6778 6.0282 6.0282 6.0282 6.0282 6.1850 6.1850 6.1850 6.1850 6.9513 6.9513 6.9513 6.9513 12.2665 12.2665 12.2665 12.2665 12.5465 12.5465 12.5465 12.5465 k = 0.5000 0.5000 0.2924 ( 3244 PWs) bands (ev): -5.2547 -5.2547 -5.2547 -5.2547 2.2916 2.2916 2.2916 2.2916 3.1794 3.1794 3.1794 3.1794 3.9256 3.9256 3.9256 3.9256 5.4456 5.4456 5.4456 5.4456 5.6731 5.6731 5.6731 5.6731 6.0246 6.0246 6.0246 6.0246 6.1846 6.1846 6.1846 6.1846 6.9547 6.9547 6.9547 6.9547 12.3846 12.3846 12.3846 12.3846 12.6904 12.6904 12.6904 12.6904 k = 0.5000 0.5000 0.3051 ( 3244 PWs) bands (ev): -5.2545 -5.2545 -5.2545 -5.2545 2.3249 2.3249 2.3249 2.3249 3.1364 3.1364 3.1364 3.1364 3.9181 3.9181 3.9181 3.9181 5.4474 5.4474 5.4474 5.4474 5.6692 5.6692 5.6692 5.6692 6.0217 6.0217 6.0217 6.0217 6.1842 6.1842 6.1842 6.1842 6.9575 6.9575 6.9575 6.9575 12.4932 12.4932 12.4932 12.4932 12.8270 12.8270 12.8270 12.8270 k = 0.5000 0.5000 0.3178 ( 3244 PWs) bands (ev): -5.2543 -5.2543 -5.2543 -5.2543 2.3539 2.3539 2.3539 2.3539 3.0996 3.0996 3.0996 3.0996 3.9124 3.9124 3.9124 3.9124 5.4487 5.4487 5.4487 5.4487 5.6662 5.6662 5.6662 5.6662 6.0194 6.0194 6.0194 6.0194 6.1839 6.1839 6.1839 6.1839 6.9596 6.9596 6.9596 6.9596 12.5874 12.5874 12.5874 12.5874 12.9506 12.9506 12.9506 12.9506 k = 0.5000 0.5000 0.3305 ( 3244 PWs) bands (ev): -5.2541 -5.2541 -5.2541 -5.2541 2.3768 2.3768 2.3768 2.3768 3.0711 3.0711 3.0711 3.0711 3.9084 3.9084 3.9084 3.9084 5.4496 5.4496 5.4496 5.4496 5.6640 5.6640 5.6640 5.6640 6.0177 6.0177 6.0177 6.0177 6.1837 6.1837 6.1837 6.1837 6.9611 6.9611 6.9611 6.9611 12.6616 12.6616 12.6616 12.6616 13.0526 13.0526 13.0526 13.0526 k = 0.5000 0.5000 0.3433 ( 3252 PWs) bands (ev): -5.2540 -5.2540 -5.2540 -5.2540 2.3916 2.3916 2.3916 2.3916 3.0528 3.0528 3.0528 3.0528 3.9060 3.9060 3.9060 3.9060 5.4502 5.4502 5.4502 5.4502 5.6626 5.6626 5.6626 5.6626 6.0167 6.0167 6.0167 6.0167 6.1835 6.1835 6.1835 6.1835 6.9619 6.9619 6.9619 6.9619 12.7095 12.7095 12.7095 12.7095 13.1217 13.1217 13.1217 13.1217 k = 0.5000 0.5000 0.3560 ( 3248 PWs) bands (ev): -5.2540 -5.2540 -5.2540 -5.2540 2.3967 2.3967 2.3967 2.3967 3.0465 3.0465 3.0465 3.0465 3.9051 3.9051 3.9051 3.9051 5.4504 5.4504 5.4504 5.4504 5.6622 5.6622 5.6622 5.6622 6.0164 6.0164 6.0164 6.0164 6.1834 6.1834 6.1834 6.1834 6.9623 6.9623 6.9623 6.9623 12.7262 12.7262 12.7262 12.7262 13.1464 13.1464 13.1464 13.1464 Writing output data file CuI.save init_run : 0.82s CPU 0.46s WALL ( 1 calls) electrons : 327.25s CPU 231.28s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.10s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 327.24s CPU 231.26s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.00s WALL ( 1 calls) newd : 0.34s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.29s WALL ( 365 calls) cegterg : 265.79s CPU 186.58s WALL ( 381 calls) Called by sum_band: Called by *egterg: h_psi : 162.93s CPU 104.45s WALL ( 6206 calls) s_psi : 6.59s CPU 4.08s WALL ( 6206 calls) g_psi : 0.11s CPU 0.08s WALL ( 5460 calls) cdiaghg : 107.31s CPU 81.02s WALL ( 5825 calls) cegterg:over : 10.44s CPU 7.06s WALL ( 5460 calls) cegterg:upda : 4.86s CPU 3.25s WALL ( 5460 calls) cegterg:last : 3.02s CPU 2.27s WALL ( 1111 calls) cdiaghg:chol : 3.82s CPU 2.84s WALL ( 5825 calls) cdiaghg:inve : 1.32s CPU 0.98s WALL ( 5825 calls) cdiaghg:para : 6.44s CPU 5.19s WALL ( 11650 calls) Called by h_psi: h_psi:vloc : 147.18s CPU 94.50s WALL ( 6206 calls) h_psi:vnl : 15.60s CPU 9.88s WALL ( 6206 calls) add_vuspsi : 9.42s CPU 5.76s WALL ( 6206 calls) General routines calbec : 6.16s CPU 4.09s WALL ( 6206 calls) fft : 0.10s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 144.07s CPU 92.49s WALL ( 609616 calls) interpolate : 0.04s CPU 0.02s WALL ( 4 calls) davcio : 0.24s CPU 0.36s WALL ( 730 calls) Parallel routines fft_scatter : 103.01s CPU 67.03s WALL ( 609639 calls) PWSCF : 5m59.88s CPU 7m 1.12s WALL This run was terminated on: 5:34: 7 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=