Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:34:45 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./CaxCdSbx2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 94 26 7 7266 1100 171 Max 95 27 8 7273 1133 180 Sum 3403 967 283 261709 40387 6315 bravais-lattice index = 14 lattice parameter (alat) = 8.7853 a.u. unit-cell volume = 959.5958 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.785336 celldm(2)= 1.000000 celldm(3)= 1.634115 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.634115 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 0.611952 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 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 Cd 12.00 112.41100 Cd( 1.00) Sb 5.00 121.76000 Sb( 1.00) Ca 10.00 40.07800 Ca( 1.00) 12 Sym. Ops., with inversion, found 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 [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 290 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0145703), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0291406), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0437109), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0582812), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.0728514), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.0874217), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1019920), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1165623), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.1311326), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.1457029), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.1602732), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.1748435), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.1894137), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.2039840), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.2185543), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.2331246), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.2476949), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.2622652), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.2768355), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.2914058), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.3059760), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.3059760), wk = 0.0034483 k( 136) = ( 0.0125000 0.0072169 0.3059760), wk = 0.0034483 k( 137) = ( 0.0250000 0.0144338 0.3059760), wk = 0.0034483 k( 138) = ( 0.0375000 0.0216506 0.3059760), wk = 0.0034483 k( 139) = ( 0.0500000 0.0288675 0.3059760), wk = 0.0034483 k( 140) = ( 0.0625000 0.0360844 0.3059760), wk = 0.0034483 k( 141) = ( 0.0750000 0.0433013 0.3059760), wk = 0.0034483 k( 142) = ( 0.0875000 0.0505181 0.3059760), wk = 0.0034483 k( 143) = ( 0.1000000 0.0577350 0.3059760), wk = 0.0034483 k( 144) = ( 0.1125000 0.0649519 0.3059760), wk = 0.0034483 k( 145) = ( 0.1250000 0.0721688 0.3059760), wk = 0.0034483 k( 146) = ( 0.1375000 0.0793857 0.3059760), wk = 0.0034483 k( 147) = ( 0.1500000 0.0866025 0.3059760), wk = 0.0034483 k( 148) = ( 0.1625000 0.0938194 0.3059760), wk = 0.0034483 k( 149) = ( 0.1750000 0.1010363 0.3059760), wk = 0.0034483 k( 150) = ( 0.1875000 0.1082532 0.3059760), wk = 0.0034483 k( 151) = ( 0.2000000 0.1154701 0.3059760), wk = 0.0034483 k( 152) = ( 0.2125000 0.1226869 0.3059760), wk = 0.0034483 k( 153) = ( 0.2250000 0.1299038 0.3059760), wk = 0.0034483 k( 154) = ( 0.2375000 0.1371207 0.3059760), wk = 0.0034483 k( 155) = ( 0.2500000 0.1443376 0.3059760), wk = 0.0034483 k( 156) = ( 0.2625000 0.1515544 0.3059760), wk = 0.0034483 k( 157) = ( 0.2750000 0.1587713 0.3059760), wk = 0.0034483 k( 158) = ( 0.2875000 0.1659882 0.3059760), wk = 0.0034483 k( 159) = ( 0.3000000 0.1732051 0.3059760), wk = 0.0034483 k( 160) = ( 0.3125000 0.1804220 0.3059760), wk = 0.0034483 k( 161) = ( 0.3250000 0.1876388 0.3059760), wk = 0.0034483 k( 162) = ( 0.3375000 0.1948557 0.3059760), wk = 0.0034483 k( 163) = ( 0.3500000 0.2020726 0.3059760), wk = 0.0034483 k( 164) = ( 0.3625000 0.2092895 0.3059760), wk = 0.0034483 k( 165) = ( 0.3750000 0.2165064 0.3059760), wk = 0.0034483 k( 166) = ( 0.3875000 0.2237232 0.3059760), wk = 0.0034483 k( 167) = ( 0.4000000 0.2309401 0.3059760), wk = 0.0034483 k( 168) = ( 0.4125000 0.2381570 0.3059760), wk = 0.0034483 k( 169) = ( 0.4250000 0.2453739 0.3059760), wk = 0.0034483 k( 170) = ( 0.4375000 0.2525907 0.3059760), wk = 0.0034483 k( 171) = ( 0.4500000 0.2598076 0.3059760), wk = 0.0034483 k( 172) = ( 0.4625000 0.2670245 0.3059760), wk = 0.0034483 k( 173) = ( 0.4750000 0.2742414 0.3059760), wk = 0.0034483 k( 174) = ( 0.4875000 0.2814583 0.3059760), wk = 0.0034483 k( 175) = ( 0.5000000 0.2886751 0.3059760), wk = 0.0034483 k( 176) = ( 0.5000000 0.2886751 0.3059760), wk = 0.0034483 k( 177) = ( 0.4927536 0.3012262 0.3059760), wk = 0.0034483 k( 178) = ( 0.4855073 0.3137773 0.3059760), wk = 0.0034483 k( 179) = ( 0.4782609 0.3263284 0.3059760), wk = 0.0034483 k( 180) = ( 0.4710145 0.3388795 0.3059760), wk = 0.0034483 k( 181) = ( 0.4637681 0.3514306 0.3059760), wk = 0.0034483 k( 182) = ( 0.4565217 0.3639817 0.3059760), wk = 0.0034483 k( 183) = ( 0.4492754 0.3765328 0.3059760), wk = 0.0034483 k( 184) = ( 0.4420290 0.3890839 0.3059760), wk = 0.0034483 k( 185) = ( 0.4347826 0.4016350 0.3059760), wk = 0.0034483 k( 186) = ( 0.4275362 0.4141861 0.3059760), wk = 0.0034483 k( 187) = ( 0.4202899 0.4267372 0.3059760), wk = 0.0034483 k( 188) = ( 0.4130435 0.4392882 0.3059760), wk = 0.0034483 k( 189) = ( 0.4057971 0.4518393 0.3059760), wk = 0.0034483 k( 190) = ( 0.3985507 0.4643904 0.3059760), wk = 0.0034483 k( 191) = ( 0.3913044 0.4769415 0.3059760), wk = 0.0034483 k( 192) = ( 0.3840580 0.4894926 0.3059760), wk = 0.0034483 k( 193) = ( 0.3768116 0.5020437 0.3059760), wk = 0.0034483 k( 194) = ( 0.3695652 0.5145948 0.3059760), wk = 0.0034483 k( 195) = ( 0.3623188 0.5271459 0.3059760), wk = 0.0034483 k( 196) = ( 0.3550725 0.5396970 0.3059760), wk = 0.0034483 k( 197) = ( 0.3478261 0.5522481 0.3059760), wk = 0.0034483 k( 198) = ( 0.3405797 0.5647992 0.3059760), wk = 0.0034483 k( 199) = ( 0.3333333 0.5773503 0.3059760), wk = 0.0034483 k( 200) = ( 0.3333333 0.5773503 0.3059760), wk = 0.0034483 k( 201) = ( 0.3260870 0.5647992 0.3059760), wk = 0.0034483 k( 202) = ( 0.3188406 0.5522481 0.3059760), wk = 0.0034483 k( 203) = ( 0.3115942 0.5396970 0.3059760), wk = 0.0034483 k( 204) = ( 0.3043478 0.5271459 0.3059760), wk = 0.0034483 k( 205) = ( 0.2971014 0.5145948 0.3059760), wk = 0.0034483 k( 206) = ( 0.2898551 0.5020437 0.3059760), wk = 0.0034483 k( 207) = ( 0.2826087 0.4894926 0.3059760), wk = 0.0034483 k( 208) = ( 0.2753623 0.4769415 0.3059760), wk = 0.0034483 k( 209) = ( 0.2681159 0.4643904 0.3059760), wk = 0.0034483 k( 210) = ( 0.2608696 0.4518393 0.3059760), wk = 0.0034483 k( 211) = ( 0.2536232 0.4392883 0.3059760), wk = 0.0034483 k( 212) = ( 0.2463768 0.4267372 0.3059760), wk = 0.0034483 k( 213) = ( 0.2391304 0.4141861 0.3059760), wk = 0.0034483 k( 214) = ( 0.2318841 0.4016350 0.3059760), wk = 0.0034483 k( 215) = ( 0.2246377 0.3890839 0.3059760), wk = 0.0034483 k( 216) = ( 0.2173913 0.3765328 0.3059760), wk = 0.0034483 k( 217) = ( 0.2101449 0.3639817 0.3059760), wk = 0.0034483 k( 218) = ( 0.2028986 0.3514306 0.3059760), wk = 0.0034483 k( 219) = ( 0.1956522 0.3388795 0.3059760), wk = 0.0034483 k( 220) = ( 0.1884058 0.3263284 0.3059760), wk = 0.0034483 k( 221) = ( 0.1811594 0.3137773 0.3059760), wk = 0.0034483 k( 222) = ( 0.1739130 0.3012262 0.3059760), wk = 0.0034483 k( 223) = ( 0.1666667 0.2886751 0.3059760), wk = 0.0034483 k( 224) = ( 0.1594203 0.2761240 0.3059760), wk = 0.0034483 k( 225) = ( 0.1521739 0.2635729 0.3059760), wk = 0.0034483 k( 226) = ( 0.1449275 0.2510219 0.3059760), wk = 0.0034483 k( 227) = ( 0.1376812 0.2384708 0.3059760), wk = 0.0034483 k( 228) = ( 0.1304348 0.2259197 0.3059760), wk = 0.0034483 k( 229) = ( 0.1231884 0.2133686 0.3059760), wk = 0.0034483 k( 230) = ( 0.1159420 0.2008175 0.3059760), wk = 0.0034483 k( 231) = ( 0.1086957 0.1882664 0.3059760), wk = 0.0034483 k( 232) = ( 0.1014493 0.1757153 0.3059760), wk = 0.0034483 k( 233) = ( 0.0942029 0.1631642 0.3059760), wk = 0.0034483 k( 234) = ( 0.0869565 0.1506131 0.3059760), wk = 0.0034483 k( 235) = ( 0.0797101 0.1380620 0.3059760), wk = 0.0034483 k( 236) = ( 0.0724638 0.1255109 0.3059760), wk = 0.0034483 k( 237) = ( 0.0652174 0.1129598 0.3059760), wk = 0.0034483 k( 238) = ( 0.0579710 0.1004087 0.3059760), wk = 0.0034483 k( 239) = ( 0.0507246 0.0878577 0.3059760), wk = 0.0034483 k( 240) = ( 0.0434783 0.0753066 0.3059760), wk = 0.0034483 k( 241) = ( 0.0362319 0.0627555 0.3059760), wk = 0.0034483 k( 242) = ( 0.0289855 0.0502044 0.3059760), wk = 0.0034483 k( 243) = ( 0.0217391 0.0376533 0.3059760), wk = 0.0034483 k( 244) = ( 0.0144928 0.0251022 0.3059760), wk = 0.0034483 k( 245) = ( 0.0072464 0.0125511 0.3059760), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.3059760), wk = 0.0034483 k( 247) = ( 0.5000000 0.2886751 0.3059760), wk = 0.0034483 k( 248) = ( 0.5000000 0.2886751 0.2914058), wk = 0.0034483 k( 249) = ( 0.5000000 0.2886751 0.2768355), wk = 0.0034483 k( 250) = ( 0.5000000 0.2886751 0.2622652), wk = 0.0034483 k( 251) = ( 0.5000000 0.2886751 0.2476949), wk = 0.0034483 k( 252) = ( 0.5000000 0.2886751 0.2331246), wk = 0.0034483 k( 253) = ( 0.5000000 0.2886751 0.2185543), wk = 0.0034483 k( 254) = ( 0.5000000 0.2886751 0.2039840), wk = 0.0034483 k( 255) = ( 0.5000000 0.2886751 0.1894137), wk = 0.0034483 k( 256) = ( 0.5000000 0.2886751 0.1748435), wk = 0.0034483 k( 257) = ( 0.5000000 0.2886751 0.1602732), wk = 0.0034483 k( 258) = ( 0.5000000 0.2886751 0.1457029), wk = 0.0034483 k( 259) = ( 0.5000000 0.2886751 0.1311326), wk = 0.0034483 k( 260) = ( 0.5000000 0.2886751 0.1165623), wk = 0.0034483 k( 261) = ( 0.5000000 0.2886751 0.1019920), wk = 0.0034483 k( 262) = ( 0.5000000 0.2886751 0.0874217), wk = 0.0034483 k( 263) = ( 0.5000000 0.2886751 0.0728514), wk = 0.0034483 k( 264) = ( 0.5000000 0.2886751 0.0582812), wk = 0.0034483 k( 265) = ( 0.5000000 0.2886751 0.0437109), wk = 0.0034483 k( 266) = ( 0.5000000 0.2886751 0.0291406), wk = 0.0034483 k( 267) = ( 0.5000000 0.2886751 0.0145703), wk = 0.0034483 k( 268) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.5773503 0.0145703), wk = 0.0034483 k( 271) = ( 0.3333333 0.5773503 0.0291406), wk = 0.0034483 k( 272) = ( 0.3333333 0.5773503 0.0437109), wk = 0.0034483 k( 273) = ( 0.3333333 0.5773503 0.0582812), wk = 0.0034483 k( 274) = ( 0.3333333 0.5773503 0.0728514), wk = 0.0034483 k( 275) = ( 0.3333333 0.5773503 0.0874217), wk = 0.0034483 k( 276) = ( 0.3333333 0.5773503 0.1019920), wk = 0.0034483 k( 277) = ( 0.3333333 0.5773503 0.1165623), wk = 0.0034483 k( 278) = ( 0.3333333 0.5773503 0.1311326), wk = 0.0034483 k( 279) = ( 0.3333333 0.5773503 0.1457029), wk = 0.0034483 k( 280) = ( 0.3333333 0.5773503 0.1602732), wk = 0.0034483 k( 281) = ( 0.3333333 0.5773503 0.1748435), wk = 0.0034483 k( 282) = ( 0.3333333 0.5773503 0.1894137), wk = 0.0034483 k( 283) = ( 0.3333333 0.5773503 0.2039840), wk = 0.0034483 k( 284) = ( 0.3333333 0.5773503 0.2185543), wk = 0.0034483 k( 285) = ( 0.3333333 0.5773503 0.2331246), wk = 0.0034483 k( 286) = ( 0.3333333 0.5773503 0.2476949), wk = 0.0034483 k( 287) = ( 0.3333333 0.5773503 0.2622652), wk = 0.0034483 k( 288) = ( 0.3333333 0.5773503 0.2768355), wk = 0.0034483 k( 289) = ( 0.3333333 0.5773503 0.2914058), wk = 0.0034483 k( 290) = ( 0.3333333 0.5773503 0.3059760), wk = 0.0034483 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 2) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0034483 k( 3) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0034483 k( 4) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0034483 k( 5) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0034483 k( 6) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0034483 k( 7) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0034483 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0034483 k( 9) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0034483 k( 10) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0034483 k( 11) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0034483 k( 12) = ( 0.1375000 0.0000000 -0.0000000), wk = 0.0034483 k( 13) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0034483 k( 14) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0034483 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0034483 k( 16) = ( 0.1875000 0.0000000 -0.0000000), wk = 0.0034483 k( 17) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0034483 k( 18) = ( 0.2125000 0.0000000 -0.0000000), wk = 0.0034483 k( 19) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0034483 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0034483 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0034483 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0034483 k( 23) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0034483 k( 24) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0034483 k( 25) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0034483 k( 26) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0034483 k( 27) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0034483 k( 28) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0034483 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0034483 k( 30) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0034483 k( 31) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0034483 k( 32) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0034483 k( 33) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0034483 k( 34) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0034483 k( 35) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0034483 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0034483 k( 37) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0034483 k( 38) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0034483 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0034483 k( 40) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0034483 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 42) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 43) = ( 0.4927536 0.0144928 -0.0000000), wk = 0.0034483 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0034483 k( 45) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0034483 k( 46) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0034483 k( 47) = ( 0.4637681 0.0724638 -0.0000000), wk = 0.0034483 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0034483 k( 49) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0034483 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0034483 k( 51) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0034483 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0034483 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0034483 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0034483 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0034483 k( 56) = ( 0.3985507 0.2028986 -0.0000000), wk = 0.0034483 k( 57) = ( 0.3913044 0.2173913 -0.0000000), wk = 0.0034483 k( 58) = ( 0.3840580 0.2318841 0.0000000), wk = 0.0034483 k( 59) = ( 0.3768116 0.2463768 -0.0000000), wk = 0.0034483 k( 60) = ( 0.3695652 0.2608696 -0.0000000), wk = 0.0034483 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0034483 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0034483 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0034483 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0034483 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 67) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0034483 k( 68) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0034483 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0034483 k( 70) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0034483 k( 71) = ( 0.2971014 0.2971015 0.0000000), wk = 0.0034483 k( 72) = ( 0.2898551 0.2898551 -0.0000000), wk = 0.0034483 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0034483 k( 74) = ( 0.2753623 0.2753623 -0.0000000), wk = 0.0034483 k( 75) = ( 0.2681159 0.2681159 0.0000000), wk = 0.0034483 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0034483 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0034483 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0034483 k( 79) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0034483 k( 80) = ( 0.2318841 0.2318841 -0.0000000), wk = 0.0034483 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0034483 k( 82) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0034483 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0034483 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0034483 k( 85) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0034483 k( 86) = ( 0.1884058 0.1884058 -0.0000000), wk = 0.0034483 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0034483 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0034483 k( 89) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0034483 k( 90) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0034483 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0034483 k( 92) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0034483 k( 93) = ( 0.1376812 0.1376812 -0.0000000), wk = 0.0034483 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0034483 k( 95) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0034483 k( 96) = ( 0.1159420 0.1159420 -0.0000000), wk = 0.0034483 k( 97) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0034483 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0034483 k( 99) = ( 0.0942029 0.0942029 -0.0000000), wk = 0.0034483 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0034483 k( 101) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0034483 k( 102) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0034483 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0034483 k( 104) = ( 0.0579710 0.0579710 -0.0000000), wk = 0.0034483 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0034483 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0034483 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0034483 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0034483 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0034483 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0034483 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0034483 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034483 k( 114) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0034483 k( 115) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0034483 k( 116) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0034483 k( 117) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0034483 k( 118) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0034483 k( 119) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0034483 k( 120) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0034483 k( 121) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0034483 k( 122) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0034483 k( 123) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0034483 k( 124) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0034483 k( 125) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0034483 k( 126) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0034483 k( 127) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0034483 k( 128) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0034483 k( 129) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0034483 k( 130) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0034483 k( 131) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0034483 k( 132) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0034483 k( 133) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0034483 k( 134) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 135) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 136) = ( 0.0125000 0.0000000 0.5000000), wk = 0.0034483 k( 137) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0034483 k( 138) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0034483 k( 139) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0034483 k( 140) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0034483 k( 141) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0034483 k( 142) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0034483 k( 143) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0034483 k( 144) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0034483 k( 145) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0034483 k( 146) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0034483 k( 147) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0034483 k( 148) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0034483 k( 149) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0034483 k( 150) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0034483 k( 151) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0034483 k( 152) = ( 0.2125000 0.0000000 0.5000000), wk = 0.0034483 k( 153) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0034483 k( 154) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0034483 k( 155) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0034483 k( 156) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0034483 k( 157) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0034483 k( 158) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0034483 k( 159) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0034483 k( 160) = ( 0.3125000 0.0000000 0.5000000), wk = 0.0034483 k( 161) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0034483 k( 162) = ( 0.3375000 0.0000000 0.5000000), wk = 0.0034483 k( 163) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0034483 k( 164) = ( 0.3625000 0.0000000 0.5000000), wk = 0.0034483 k( 165) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0034483 k( 166) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0034483 k( 167) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0034483 k( 168) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0034483 k( 169) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0034483 k( 170) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0034483 k( 171) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0034483 k( 172) = ( 0.4625000 0.0000000 0.5000000), wk = 0.0034483 k( 173) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0034483 k( 174) = ( 0.4875000 0.0000000 0.5000000), wk = 0.0034483 k( 175) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 176) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 177) = ( 0.4927536 0.0144928 0.5000000), wk = 0.0034483 k( 178) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0034483 k( 179) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0034483 k( 180) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0034483 k( 181) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0034483 k( 182) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0034483 k( 183) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0034483 k( 184) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0034483 k( 185) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0034483 k( 186) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0034483 k( 187) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0034483 k( 188) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0034483 k( 189) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0034483 k( 190) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0034483 k( 191) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0034483 k( 192) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0034483 k( 193) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0034483 k( 194) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0034483 k( 195) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0034483 k( 196) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0034483 k( 197) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0034483 k( 198) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0034483 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 k( 201) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0034483 k( 202) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0034483 k( 203) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0034483 k( 204) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0034483 k( 205) = ( 0.2971014 0.2971015 0.5000000), wk = 0.0034483 k( 206) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0034483 k( 207) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0034483 k( 208) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0034483 k( 209) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0034483 k( 210) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0034483 k( 211) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0034483 k( 212) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0034483 k( 213) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0034483 k( 214) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0034483 k( 215) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0034483 k( 216) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0034483 k( 217) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0034483 k( 218) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0034483 k( 219) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0034483 k( 220) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0034483 k( 221) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0034483 k( 222) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0034483 k( 223) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0034483 k( 224) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0034483 k( 225) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0034483 k( 226) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0034483 k( 227) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0034483 k( 228) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0034483 k( 229) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0034483 k( 230) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0034483 k( 231) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0034483 k( 232) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0034483 k( 233) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0034483 k( 234) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0034483 k( 235) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0034483 k( 236) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0034483 k( 237) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0034483 k( 238) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0034483 k( 239) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0034483 k( 240) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0034483 k( 241) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0034483 k( 242) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0034483 k( 243) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0034483 k( 244) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0034483 k( 245) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0034483 k( 246) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034483 k( 247) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0034483 k( 248) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0034483 k( 249) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0034483 k( 250) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0034483 k( 251) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0034483 k( 252) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0034483 k( 253) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0034483 k( 254) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0034483 k( 255) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0034483 k( 256) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0034483 k( 257) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0034483 k( 258) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0034483 k( 259) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0034483 k( 260) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0034483 k( 261) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0034483 k( 262) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0034483 k( 263) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0034483 k( 264) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0034483 k( 265) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0034483 k( 266) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0034483 k( 267) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0034483 k( 268) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0034483 k( 269) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0034483 k( 270) = ( 0.3333333 0.3333333 0.0238095), wk = 0.0034483 k( 271) = ( 0.3333333 0.3333333 0.0476191), wk = 0.0034483 k( 272) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0034483 k( 273) = ( 0.3333333 0.3333333 0.0952381), wk = 0.0034483 k( 274) = ( 0.3333333 0.3333333 0.1190476), wk = 0.0034483 k( 275) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0034483 k( 276) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0034483 k( 277) = ( 0.3333333 0.3333333 0.1904762), wk = 0.0034483 k( 278) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0034483 k( 279) = ( 0.3333333 0.3333333 0.2380952), wk = 0.0034483 k( 280) = ( 0.3333333 0.3333333 0.2619048), wk = 0.0034483 k( 281) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0034483 k( 282) = ( 0.3333333 0.3333333 0.3095238), wk = 0.0034483 k( 283) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034483 k( 284) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0034483 k( 285) = ( 0.3333333 0.3333333 0.3809524), wk = 0.0034483 k( 286) = ( 0.3333333 0.3333333 0.4047619), wk = 0.0034483 k( 287) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0034483 k( 288) = ( 0.3333333 0.3333333 0.4523810), wk = 0.0034483 k( 289) = ( 0.3333333 0.3333333 0.4761905), wk = 0.0034483 k( 290) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0034483 Dense grid: 261709 G-vectors FFT dimensions: ( 72, 72, 120) Smooth grid: 40387 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 282, 52) NL pseudopotentials 0.37 Mb ( 141, 170) Each V/rho on FFT grid 0.32 Mb ( 20736) Each G-vector array 0.06 Mb ( 7266) G-vector shells 0.03 Mb ( 3410) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.90 Mb ( 282, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) The potential is recalculated from file : ./CaxCdSbx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.5 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.2 secs Computing kpt #: 4 total cpu time spent up to now is 8.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.8 secs Computing kpt #: 6 total cpu time spent up to now is 11.5 secs Computing kpt #: 7 total cpu time spent up to now is 12.9 secs Computing kpt #: 8 total cpu time spent up to now is 14.0 secs Computing kpt #: 9 total cpu time spent up to now is 15.1 secs Computing kpt #: 10 total cpu time spent up to now is 16.1 secs Computing kpt #: 11 total cpu time spent up to now is 17.2 secs Computing kpt #: 12 total cpu time spent up to now is 18.4 secs Computing kpt #: 13 total cpu time spent up to now is 19.6 secs Computing kpt #: 14 total cpu time spent up to now is 20.8 secs Computing kpt #: 15 total cpu time spent up to now is 22.3 secs Computing kpt #: 16 total cpu time spent up to now is 23.9 secs Computing kpt #: 17 total cpu time spent up to now is 25.1 secs Computing kpt #: 18 total cpu time spent up to now is 26.3 secs Computing kpt #: 19 total cpu time spent up to now is 27.7 secs Computing kpt #: 20 total cpu time spent up to now is 28.8 secs Computing kpt #: 21 total cpu time spent up to now is 29.8 secs Computing kpt #: 22 total cpu time spent up to now is 31.0 secs Computing kpt #: 23 total cpu time spent up to now is 32.1 secs Computing kpt #: 24 total cpu time spent up to now is 33.2 secs Computing kpt #: 25 total cpu time spent up to now is 34.3 secs Computing kpt #: 26 total cpu time spent up to now is 35.4 secs Computing kpt #: 27 total cpu time spent up to now is 36.6 secs Computing kpt #: 28 total cpu time spent up to now is 37.8 secs Computing kpt #: 29 total cpu time spent up to now is 39.0 secs Computing kpt #: 30 total cpu time spent up to now is 39.9 secs Computing kpt #: 31 total cpu time spent up to now is 41.3 secs Computing kpt #: 32 total cpu time spent up to now is 42.6 secs Computing kpt #: 33 total cpu time spent up to now is 43.7 secs Computing kpt #: 34 total cpu time spent up to now is 44.7 secs Computing kpt #: 35 total cpu time spent up to now is 45.6 secs Computing kpt #: 36 total cpu time spent up to now is 46.8 secs Computing kpt #: 37 total cpu time spent up to now is 48.2 secs Computing kpt #: 38 total cpu time spent up to now is 49.1 secs Computing kpt #: 39 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.8 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 52.5 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 54.3 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 56.1 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 57.8 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.6 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.2 secs Computing kpt #: 46 total cpu time spent up to now is 62.4 secs Computing kpt #: 47 total cpu time spent up to now is 63.6 secs Computing kpt #: 48 total cpu time spent up to now is 64.4 secs Computing kpt #: 49 total cpu time spent up to now is 65.4 secs Computing kpt #: 50 total cpu time spent up to now is 66.2 secs Computing kpt #: 51 total cpu time spent up to now is 67.0 secs Computing kpt #: 52 total cpu time spent up to now is 67.9 secs Computing kpt #: 53 total cpu time spent up to now is 68.7 secs Computing kpt #: 54 total cpu time spent up to now is 69.6 secs Computing kpt #: 55 total cpu time spent up to now is 70.3 secs Computing kpt #: 56 total cpu time spent up to now is 71.2 secs Computing kpt #: 57 total cpu time spent up to now is 72.1 secs Computing kpt #: 58 total cpu time spent up to now is 72.9 secs Computing kpt #: 59 total cpu time spent up to now is 73.8 secs Computing kpt #: 60 total cpu time spent up to now is 74.7 secs Computing kpt #: 61 total cpu time spent up to now is 75.7 secs Computing kpt #: 62 total cpu time spent up to now is 76.7 secs Computing kpt #: 63 total cpu time spent up to now is 77.8 secs Computing kpt #: 64 total cpu time spent up to now is 78.9 secs Computing kpt #: 65 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.6 secs Computing kpt #: 66 total cpu time spent up to now is 81.8 secs Computing kpt #: 67 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.5 secs Computing kpt #: 68 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 85.2 secs Computing kpt #: 69 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 86.9 secs Computing kpt #: 70 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 88.7 secs Computing kpt #: 71 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.4 secs Computing kpt #: 72 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 92.1 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 93.9 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 95.7 secs Computing kpt #: 75 total cpu time spent up to now is 97.0 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 98.8 secs Computing kpt #: 77 total cpu time spent up to now is 100.0 secs Computing kpt #: 78 total cpu time spent up to now is 101.2 secs Computing kpt #: 79 total cpu time spent up to now is 102.3 secs Computing kpt #: 80 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.1 secs Computing kpt #: 81 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.9 secs Computing kpt #: 82 total cpu time spent up to now is 106.9 secs Computing kpt #: 83 total cpu time spent up to now is 107.9 secs Computing kpt #: 84 total cpu time spent up to now is 109.6 secs Computing kpt #: 85 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.5 secs Computing kpt #: 86 total cpu time spent up to now is 112.9 secs Computing kpt #: 87 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.7 secs Computing kpt #: 88 total cpu time spent up to now is 116.3 secs Computing kpt #: 89 total cpu time spent up to now is 117.6 secs Computing kpt #: 90 total cpu time spent up to now is 118.8 secs Computing kpt #: 91 total cpu time spent up to now is 120.1 secs Computing kpt #: 92 total cpu time spent up to now is 121.2 secs Computing kpt #: 93 total cpu time spent up to now is 122.3 secs Computing kpt #: 94 total cpu time spent up to now is 123.4 secs Computing kpt #: 95 total cpu time spent up to now is 124.5 secs Computing kpt #: 96 total cpu time spent up to now is 125.8 secs Computing kpt #: 97 total cpu time spent up to now is 127.4 secs Computing kpt #: 98 total cpu time spent up to now is 129.0 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.7 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 132.6 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.4 secs Computing kpt #: 102 total cpu time spent up to now is 135.8 secs Computing kpt #: 103 total cpu time spent up to now is 137.0 secs Computing kpt #: 104 total cpu time spent up to now is 138.3 secs Computing kpt #: 105 total cpu time spent up to now is 139.9 secs Computing kpt #: 106 total cpu time spent up to now is 141.4 secs Computing kpt #: 107 total cpu time spent up to now is 142.8 secs Computing kpt #: 108 total cpu time spent up to now is 144.1 secs Computing kpt #: 109 total cpu time spent up to now is 145.4 secs Computing kpt #: 110 total cpu time spent up to now is 146.6 secs Computing kpt #: 111 total cpu time spent up to now is 147.6 secs Computing kpt #: 112 total cpu time spent up to now is 149.2 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 151.0 secs Computing kpt #: 114 total cpu time spent up to now is 151.8 secs Computing kpt #: 115 total cpu time spent up to now is 152.6 secs Computing kpt #: 116 total cpu time spent up to now is 154.2 secs Computing kpt #: 117 total cpu time spent up to now is 155.0 secs Computing kpt #: 118 total cpu time spent up to now is 155.9 secs Computing kpt #: 119 total cpu time spent up to now is 156.8 secs Computing kpt #: 120 total cpu time spent up to now is 157.7 secs Computing kpt #: 121 total cpu time spent up to now is 158.5 secs Computing kpt #: 122 total cpu time spent up to now is 159.4 secs Computing kpt #: 123 total cpu time spent up to now is 160.4 secs Computing kpt #: 124 total cpu time spent up to now is 161.3 secs Computing kpt #: 125 total cpu time spent up to now is 162.3 secs Computing kpt #: 126 total cpu time spent up to now is 163.2 secs Computing kpt #: 127 total cpu time spent up to now is 164.2 secs Computing kpt #: 128 total cpu time spent up to now is 165.2 secs Computing kpt #: 129 total cpu time spent up to now is 166.1 secs Computing kpt #: 130 total cpu time spent up to now is 167.0 secs Computing kpt #: 131 total cpu time spent up to now is 167.9 secs Computing kpt #: 132 total cpu time spent up to now is 168.9 secs Computing kpt #: 133 total cpu time spent up to now is 169.7 secs Computing kpt #: 134 total cpu time spent up to now is 170.7 secs Computing kpt #: 135 total cpu time spent up to now is 171.5 secs Computing kpt #: 136 total cpu time spent up to now is 172.3 secs Computing kpt #: 137 total cpu time spent up to now is 173.3 secs Computing kpt #: 138 total cpu time spent up to now is 174.2 secs Computing kpt #: 139 total cpu time spent up to now is 175.1 secs Computing kpt #: 140 total cpu time spent up to now is 176.0 secs Computing kpt #: 141 total cpu time spent up to now is 177.0 secs Computing kpt #: 142 total cpu time spent up to now is 178.0 secs Computing kpt #: 143 total cpu time spent up to now is 179.0 secs Computing kpt #: 144 total cpu time spent up to now is 180.4 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 182.2 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 184.0 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.8 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 187.5 secs Computing kpt #: 149 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.3 secs Computing kpt #: 150 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.1 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 194.7 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.5 secs Computing kpt #: 154 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.2 secs Computing kpt #: 155 total cpu time spent up to now is 199.3 secs Computing kpt #: 156 total cpu time spent up to now is 200.3 secs Computing kpt #: 157 total cpu time spent up to now is 201.2 secs Computing kpt #: 158 total cpu time spent up to now is 202.1 secs Computing kpt #: 159 total cpu time spent up to now is 203.0 secs Computing kpt #: 160 total cpu time spent up to now is 203.8 secs Computing kpt #: 161 total cpu time spent up to now is 204.6 secs Computing kpt #: 162 total cpu time spent up to now is 205.5 secs Computing kpt #: 163 total cpu time spent up to now is 206.2 secs Computing kpt #: 164 total cpu time spent up to now is 206.9 secs Computing kpt #: 165 total cpu time spent up to now is 207.7 secs Computing kpt #: 166 total cpu time spent up to now is 208.5 secs Computing kpt #: 167 total cpu time spent up to now is 209.2 secs Computing kpt #: 168 total cpu time spent up to now is 209.9 secs Computing kpt #: 169 total cpu time spent up to now is 210.6 secs Computing kpt #: 170 total cpu time spent up to now is 211.3 secs Computing kpt #: 171 total cpu time spent up to now is 211.9 secs Computing kpt #: 172 total cpu time spent up to now is 212.5 secs Computing kpt #: 173 total cpu time spent up to now is 213.2 secs Computing kpt #: 174 total cpu time spent up to now is 213.8 secs Computing kpt #: 175 total cpu time spent up to now is 214.4 secs Computing kpt #: 176 total cpu time spent up to now is 215.2 secs Computing kpt #: 177 total cpu time spent up to now is 215.8 secs Computing kpt #: 178 total cpu time spent up to now is 216.5 secs Computing kpt #: 179 total cpu time spent up to now is 217.1 secs Computing kpt #: 180 total cpu time spent up to now is 217.8 secs Computing kpt #: 181 total cpu time spent up to now is 218.5 secs Computing kpt #: 182 total cpu time spent up to now is 219.2 secs Computing kpt #: 183 total cpu time spent up to now is 219.9 secs Computing kpt #: 184 total cpu time spent up to now is 220.6 secs Computing kpt #: 185 total cpu time spent up to now is 221.3 secs Computing kpt #: 186 total cpu time spent up to now is 222.1 secs Computing kpt #: 187 total cpu time spent up to now is 223.0 secs Computing kpt #: 188 total cpu time spent up to now is 223.9 secs Computing kpt #: 189 total cpu time spent up to now is 224.8 secs Computing kpt #: 190 total cpu time spent up to now is 225.7 secs Computing kpt #: 191 total cpu time spent up to now is 226.8 secs Computing kpt #: 192 total cpu time spent up to now is 228.0 secs Computing kpt #: 193 total cpu time spent up to now is 229.0 secs Computing kpt #: 194 total cpu time spent up to now is 230.0 secs Computing kpt #: 195 total cpu time spent up to now is 231.0 secs Computing kpt #: 196 total cpu time spent up to now is 232.7 secs Computing kpt #: 197 total cpu time spent up to now is 234.3 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.1 secs Computing kpt #: 199 total cpu time spent up to now is 237.8 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 239.5 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 241.4 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 243.1 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 244.9 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 246.7 secs Computing kpt #: 205 total cpu time spent up to now is 248.1 secs Computing kpt #: 206 total cpu time spent up to now is 249.8 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.6 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 253.5 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 255.3 secs Computing kpt #: 210 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.1 secs Computing kpt #: 211 total cpu time spent up to now is 258.1 secs Computing kpt #: 212 total cpu time spent up to now is 259.1 secs Computing kpt #: 213 total cpu time spent up to now is 260.4 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 262.2 secs Computing kpt #: 215 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 264.0 secs Computing kpt #: 216 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 265.8 secs Computing kpt #: 217 total cpu time spent up to now is 267.3 secs Computing kpt #: 218 total cpu time spent up to now is 268.3 secs Computing kpt #: 219 total cpu time spent up to now is 269.4 secs Computing kpt #: 220 total cpu time spent up to now is 270.4 secs Computing kpt #: 221 total cpu time spent up to now is 271.4 secs Computing kpt #: 222 total cpu time spent up to now is 272.4 secs Computing kpt #: 223 total cpu time spent up to now is 273.4 secs Computing kpt #: 224 total cpu time spent up to now is 274.3 secs Computing kpt #: 225 total cpu time spent up to now is 275.2 secs Computing kpt #: 226 total cpu time spent up to now is 276.1 secs Computing kpt #: 227 total cpu time spent up to now is 276.9 secs Computing kpt #: 228 total cpu time spent up to now is 277.8 secs Computing kpt #: 229 total cpu time spent up to now is 278.7 secs Computing kpt #: 230 total cpu time spent up to now is 279.5 secs Computing kpt #: 231 total cpu time spent up to now is 280.4 secs Computing kpt #: 232 total cpu time spent up to now is 281.2 secs Computing kpt #: 233 total cpu time spent up to now is 282.1 secs Computing kpt #: 234 total cpu time spent up to now is 283.1 secs Computing kpt #: 235 total cpu time spent up to now is 284.1 secs Computing kpt #: 236 total cpu time spent up to now is 285.1 secs Computing kpt #: 237 total cpu time spent up to now is 286.1 secs Computing kpt #: 238 total cpu time spent up to now is 287.2 secs Computing kpt #: 239 total cpu time spent up to now is 288.2 secs Computing kpt #: 240 total cpu time spent up to now is 289.1 secs Computing kpt #: 241 total cpu time spent up to now is 290.0 secs Computing kpt #: 242 total cpu time spent up to now is 290.9 secs Computing kpt #: 243 total cpu time spent up to now is 291.8 secs Computing kpt #: 244 total cpu time spent up to now is 292.6 secs Computing kpt #: 245 total cpu time spent up to now is 293.5 secs Computing kpt #: 246 total cpu time spent up to now is 294.4 secs Computing kpt #: 247 total cpu time spent up to now is 295.0 secs Computing kpt #: 248 total cpu time spent up to now is 295.7 secs Computing kpt #: 249 total cpu time spent up to now is 296.4 secs Computing kpt #: 250 total cpu time spent up to now is 297.1 secs Computing kpt #: 251 total cpu time spent up to now is 297.8 secs Computing kpt #: 252 total cpu time spent up to now is 298.4 secs Computing kpt #: 253 total cpu time spent up to now is 299.1 secs Computing kpt #: 254 total cpu time spent up to now is 299.9 secs Computing kpt #: 255 total cpu time spent up to now is 300.6 secs Computing kpt #: 256 total cpu time spent up to now is 301.5 secs Computing kpt #: 257 total cpu time spent up to now is 302.3 secs Computing kpt #: 258 total cpu time spent up to now is 303.1 secs Computing kpt #: 259 total cpu time spent up to now is 304.0 secs Computing kpt #: 260 total cpu time spent up to now is 305.1 secs Computing kpt #: 261 total cpu time spent up to now is 306.3 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 308.1 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 309.9 secs Computing kpt #: 264 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 311.6 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.4 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 315.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.9 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.6 secs Computing kpt #: 269 total cpu time spent up to now is 319.8 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 321.4 secs Computing kpt #: 271 total cpu time spent up to now is 322.5 secs Computing kpt #: 272 total cpu time spent up to now is 324.1 secs Computing kpt #: 273 total cpu time spent up to now is 325.3 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 327.0 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.7 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.5 secs Computing kpt #: 277 total cpu time spent up to now is 331.7 secs Computing kpt #: 278 total cpu time spent up to now is 332.9 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 334.6 secs Computing kpt #: 280 total cpu time spent up to now is 336.1 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 337.9 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 339.6 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 341.3 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 343.1 secs Computing kpt #: 285 total cpu time spent up to now is 344.6 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 346.3 secs Computing kpt #: 287 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 348.1 secs Computing kpt #: 288 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 349.9 secs Computing kpt #: 289 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.7 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 353.5 secs ethr = 2.27E-08, avg # of iterations = 66.8 total cpu time spent up to now is 353.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5119 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8109 -2.8109 -2.4311 -2.4311 -1.7844 -1.7844 -1.7786 -1.7786 -1.7166 -1.7166 -1.4718 -1.4718 -1.1084 -1.1084 -1.0646 -1.0646 -0.9847 -0.9847 -0.9119 -0.9119 -0.8555 -0.8555 -0.5636 -0.5636 2.6677 2.6677 6.2092 6.2092 6.5613 6.5613 7.2128 7.2128 7.6690 7.6690 7.9835 7.9835 8.2352 8.2352 8.4763 8.4763 9.5017 9.5017 9.7037 9.7038 k = 0.0125 0.0072-0.0000 ( 5119 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8101 -2.8101 -2.4310 -2.4310 -1.7844 -1.7844 -1.7783 -1.7783 -1.7166 -1.7166 -1.4716 -1.4716 -1.1083 -1.1083 -1.0648 -1.0648 -0.9847 -0.9847 -0.9117 -0.9117 -0.8556 -0.8556 -0.5629 -0.5629 2.6691 2.6691 6.2008 6.2008 6.5501 6.5501 7.2123 7.2123 7.6722 7.6722 7.9605 7.9605 8.2290 8.2290 8.5037 8.5037 9.5061 9.5061 9.7106 9.7106 k = 0.0250 0.0144-0.0000 ( 5115 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8079 -2.8079 -2.4307 -2.4307 -1.7840 -1.7840 -1.7775 -1.7775 -1.7166 -1.7166 -1.4710 -1.4710 -1.1080 -1.1080 -1.0654 -1.0654 -0.9847 -0.9847 -0.9110 -0.9110 -0.8559 -0.8559 -0.5609 -0.5609 2.6735 2.6735 6.1747 6.1747 6.5205 6.5205 7.2061 7.2061 7.6806 7.6806 7.9051 7.9051 8.2175 8.2175 8.5685 8.5685 9.5187 9.5187 9.7313 9.7313 k = 0.0375 0.0217-0.0000 ( 5095 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8916 -14.8916 -2.8043 -2.8043 -2.4301 -2.4301 -1.7834 -1.7834 -1.7759 -1.7759 -1.7166 -1.7166 -1.4700 -1.4700 -1.1074 -1.1074 -1.0662 -1.0662 -0.9847 -0.9847 -0.9100 -0.9100 -0.8564 -0.8564 -0.5576 -0.5576 2.6806 2.6806 6.1289 6.1289 6.4820 6.4820 7.1837 7.1837 7.6841 7.6841 7.8470 7.8470 8.2087 8.2087 8.6464 8.6464 9.5375 9.5375 9.7652 9.7652 k = 0.0500 0.0289-0.0000 ( 5097 PWs) bands (ev): -34.0226 -34.0226 -15.2833 -15.2833 -14.9168 -14.9168 -14.8918 -14.8918 -2.7993 -2.7993 -2.4293 -2.4293 -1.7827 -1.7827 -1.7740 -1.7740 -1.7167 -1.7167 -1.4687 -1.4687 -1.1067 -1.1067 -1.0674 -1.0674 -0.9848 -0.9848 -0.9087 -0.9087 -0.8573 -0.8573 -0.5530 -0.5530 2.6907 2.6907 6.0623 6.0623 6.4428 6.4428 7.1372 7.1372 7.6583 7.6583 7.8202 7.8202 8.2082 8.2082 8.7241 8.7241 9.5601 9.5601 9.8089 9.8089 k = 0.0625 0.0361-0.0000 ( 5095 PWs) bands (ev): -34.0226 -34.0226 -15.2834 -15.2834 -14.9168 -14.9168 -14.8920 -14.8920 -2.7929 -2.7929 -2.4284 -2.4284 -1.7817 -1.7817 -1.7716 -1.7716 -1.7167 -1.7167 -1.4671 -1.4671 -1.1058 -1.1058 -1.0688 -1.0688 -0.9851 -0.9851 -0.9072 -0.9072 -0.8583 -0.8583 -0.5471 -0.5471 2.7035 2.7035 5.9769 5.9769 6.4069 6.4069 7.0648 7.0648 7.6034 7.6034 7.8207 7.8207 8.2235 8.2235 8.7957 8.7957 9.5845 9.5845 9.8575 9.8575 k = 0.0750 0.0433-0.0000 ( 5083 PWs) bands (ev): -34.0226 -34.0226 -15.2834 -15.2834 -14.9168 -14.9168 -14.8922 -14.8922 -2.7852 -2.7852 -2.4272 -2.4272 -1.7804 -1.7804 -1.7686 -1.7686 -1.7165 -1.7165 -1.4650 -1.4650 -1.1045 -1.1045 -1.0702 -1.0702 -0.9854 -0.9854 -0.9056 -0.9056 -0.8595 -0.8595 -0.5398 -0.5398 2.7192 2.7192 5.8767 5.8767 6.3743 6.3743 6.9701 6.9701 7.5412 7.5412 7.8175 7.8175 8.2610 8.2610 8.8589 8.8589 9.6095 9.6095 9.9096 9.9096 k = 0.0875 0.0505-0.0000 ( 5087 PWs) bands (ev): -34.0225 -34.0225 -15.2836 -15.2836 -14.9169 -14.9169 -14.8925 -14.8925 -2.7762 -2.7762 -2.4259 -2.4259 -1.7789 -1.7789 -1.7651 -1.7651 -1.7164 -1.7164 -1.4627 -1.4627 -1.1030 -1.1030 -1.0717 -1.0717 -0.9858 -0.9858 -0.9041 -0.9041 -0.8608 -0.8608 -0.5313 -0.5313 2.7376 2.7376 5.7658 5.7658 6.3436 6.3436 6.8589 6.8589 7.4797 7.4797 7.7983 7.7983 8.3198 8.3198 8.9134 8.9134 9.6345 9.6345 9.9656 9.9656 k = 0.1000 0.0577-0.0000 ( 5085 PWs) bands (ev): -34.0225 -34.0225 -15.2837 -15.2837 -14.9169 -14.9169 -14.8928 -14.8928 -2.7661 -2.7661 -2.4245 -2.4245 -1.7773 -1.7773 -1.7610 -1.7610 -1.7161 -1.7161 -1.4600 -1.4600 -1.1013 -1.1013 -1.0732 -1.0732 -0.9863 -0.9863 -0.9027 -0.9027 -0.8620 -0.8620 -0.5215 -0.5215 2.7587 2.7587 5.6475 5.6475 6.3133 6.3133 6.7368 6.7368 7.4197 7.4197 7.7638 7.7638 8.3932 8.3932 8.9595 8.9595 9.6594 9.6594 10.0253 10.0253 k = 0.1125 0.0650-0.0000 ( 5089 PWs) bands (ev): -34.0225 -34.0225 -15.2839 -15.2839 -14.9170 -14.9170 -14.8931 -14.8931 -2.7549 -2.7549 -2.4229 -2.4229 -1.7755 -1.7755 -1.7566 -1.7566 -1.7156 -1.7156 -1.4570 -1.4570 -1.0993 -1.0993 -1.0746 -1.0746 -0.9869 -0.9869 -0.9018 -0.9018 -0.8631 -0.8631 -0.5106 -0.5106 2.7824 2.7824 5.5241 5.5241 6.2823 6.2823 6.6083 6.6083 7.3603 7.3603 7.7181 7.7181 8.4734 8.4734 8.9982 8.9982 9.6846 9.6846 10.0878 10.0878 k = 0.1250 0.0722-0.0000 ( 5073 PWs) bands (ev): -34.0225 -34.0225 -15.2840 -15.2840 -14.9170 -14.9170 -14.8935 -14.8935 -2.7426 -2.7426 -2.4212 -2.4212 -1.7734 -1.7734 -1.7517 -1.7517 -1.7146 -1.7146 -1.4535 -1.4535 -1.0969 -1.0969 -1.0757 -1.0757 -0.9875 -0.9875 -0.9013 -0.9013 -0.8638 -0.8638 -0.4983 -0.4983 2.8087 2.8087 5.3975 5.3975 6.2493 6.2493 6.4773 6.4773 7.3010 7.3010 7.6647 7.6647 8.5540 8.5540 9.0302 9.0302 9.7108 9.7108 10.1515 10.1515 k = 0.1375 0.0794-0.0000 ( 5077 PWs) bands (ev): -34.0224 -34.0224 -15.2842 -15.2842 -14.9171 -14.9171 -14.8939 -14.8939 -2.7295 -2.7295 -2.4195 -2.4195 -1.7712 -1.7712 -1.7468 -1.7468 -1.7131 -1.7131 -1.4498 -1.4498 -1.0943 -1.0943 -1.0767 -1.0767 -0.9883 -0.9883 -0.9016 -0.9016 -0.8642 -0.8642 -0.4849 -0.4849 2.8375 2.8375 5.2686 5.2686 6.2107 6.2107 6.3489 6.3489 7.2413 7.2413 7.6060 7.6060 8.6299 8.6299 9.0567 9.0567 9.7392 9.7392 10.2129 10.2129 k = 0.1500 0.0866-0.0000 ( 5067 PWs) bands (ev): -34.0224 -34.0224 -15.2844 -15.2844 -14.9171 -14.9171 -14.8943 -14.8943 -2.7156 -2.7156 -2.4177 -2.4177 -1.7689 -1.7689 -1.7419 -1.7419 -1.7107 -1.7107 -1.4456 -1.4456 -1.0913 -1.0913 -1.0774 -1.0774 -0.9890 -0.9890 -0.9026 -0.9026 -0.8639 -0.8639 -0.4704 -0.4704 2.8686 2.8686 5.1384 5.1384 6.1507 6.1507 6.2407 6.2407 7.1811 7.1811 7.5436 7.5436 8.6963 8.6963 9.0794 9.0794 9.7715 9.7715 10.2640 10.2640 k = 0.1625 0.0938-0.0000 ( 5063 PWs) bands (ev): -34.0224 -34.0224 -15.2846 -15.2846 -14.9172 -14.9172 -14.8948 -14.8948 -2.7010 -2.7010 -2.4159 -2.4159 -1.7665 -1.7665 -1.7376 -1.7376 -1.7069 -1.7069 -1.4411 -1.4411 -1.0880 -1.0880 -1.0776 -1.0776 -0.9899 -0.9899 -0.9045 -0.9045 -0.8632 -0.8632 -0.4549 -0.4549 2.9021 2.9021 5.0075 5.0075 6.0435 6.0435 6.1793 6.1793 7.1204 7.1204 7.4788 7.4788 8.7488 8.7488 9.1011 9.1011 9.8087 9.8087 10.2966 10.2966 k = 0.1750 0.1010-0.0000 ( 5067 PWs) bands (ev): -34.0223 -34.0223 -15.2848 -15.2848 -14.9173 -14.9173 -14.8952 -14.8952 -2.6859 -2.6859 -2.4141 -2.4141 -1.7641 -1.7641 -1.7343 -1.7343 -1.7015 -1.7015 -1.4362 -1.4362 -1.0849 -1.0849 -1.0771 -1.0771 -0.9907 -0.9907 -0.9070 -0.9070 -0.8620 -0.8620 -0.4385 -0.4385 2.9377 2.9377 4.8766 4.8766 5.9168 5.9168 6.1378 6.1378 7.0589 7.0589 7.4126 7.4126 8.7835 8.7835 9.1248 9.1248 9.8513 9.8513 10.3145 10.3145 k = 0.1875 0.1083-0.0000 ( 5071 PWs) bands (ev): -34.0223 -34.0223 -15.2850 -15.2850 -14.9174 -14.9174 -14.8957 -14.8957 -2.6704 -2.6704 -2.4124 -2.4124 -1.7615 -1.7615 -1.7318 -1.7318 -1.6945 -1.6945 -1.4310 -1.4310 -1.0825 -1.0825 -1.0750 -1.0750 -0.9916 -0.9916 -0.9100 -0.9100 -0.8604 -0.8604 -0.4213 -0.4213 2.9752 2.9752 4.7461 4.7461 5.7878 5.7878 6.1000 6.1000 6.9968 6.9968 7.3457 7.3457 8.7988 8.7988 9.1527 9.1527 9.8987 9.8987 10.3244 10.3244 k = 0.2000 0.1155-0.0000 ( 5071 PWs) bands (ev): -34.0223 -34.0223 -15.2853 -15.2853 -14.9175 -14.9175 -14.8962 -14.8962 -2.6547 -2.6547 -2.4106 -2.4106 -1.7589 -1.7589 -1.7301 -1.7301 -1.6859 -1.6859 -1.4255 -1.4255 -1.0812 -1.0812 -1.0708 -1.0708 -0.9925 -0.9925 -0.9134 -0.9134 -0.8584 -0.8584 -0.4034 -0.4034 3.0147 3.0147 4.6165 4.6165 5.6599 5.6599 6.0630 6.0630 6.9340 6.9340 7.2789 7.2789 8.7964 8.7964 9.1849 9.1849 9.9491 9.9491 10.3321 10.3321 k = 0.2125 0.1227-0.0000 ( 5063 PWs) bands (ev): -34.0222 -34.0222 -15.2855 -15.2855 -14.9176 -14.9176 -14.8967 -14.8967 -2.6388 -2.6388 -2.4090 -2.4090 -1.7563 -1.7563 -1.7288 -1.7288 -1.6761 -1.6761 -1.4196 -1.4196 -1.0805 -1.0805 -1.0652 -1.0652 -0.9933 -0.9933 -0.9170 -0.9170 -0.8561 -0.8561 -0.3849 -0.3849 3.0557 3.0557 4.4881 4.4881 5.5344 5.5344 6.0262 6.0262 6.8702 6.8702 7.2127 7.2127 8.7800 8.7800 9.2197 9.2197 10.0005 10.0005 10.3411 10.3412 k = 0.2250 0.1299-0.0000 ( 5060 PWs) bands (ev): -34.0222 -34.0222 -15.2857 -15.2857 -14.9178 -14.9178 -14.8972 -14.8972 -2.6229 -2.6229 -2.4074 -2.4074 -1.7537 -1.7537 -1.7279 -1.7279 -1.6653 -1.6653 -1.4133 -1.4133 -1.0799 -1.0799 -1.0585 -1.0585 -0.9941 -0.9941 -0.9207 -0.9207 -0.8534 -0.8534 -0.3660 -0.3660 3.0980 3.0980 4.3614 4.3614 5.4122 5.4122 5.9895 5.9895 6.8055 6.8055 7.1480 7.1480 8.7534 8.7534 9.2552 9.2552 10.0504 10.0504 10.3526 10.3526 k = 0.2375 0.1371-0.0000 ( 5054 PWs) bands (ev): -34.0222 -34.0222 -15.2860 -15.2860 -14.9179 -14.9179 -14.8977 -14.8977 -2.6071 -2.6071 -2.4059 -2.4059 -1.7511 -1.7511 -1.7271 -1.7271 -1.6539 -1.6539 -1.4068 -1.4068 -1.0793 -1.0793 -1.0510 -1.0510 -0.9948 -0.9948 -0.9244 -0.9244 -0.8504 -0.8504 -0.3468 -0.3468 3.1414 3.1414 4.2367 4.2367 5.2936 5.2936 5.9529 5.9529 6.7397 6.7397 7.0850 7.0850 8.7199 8.7199 9.2902 9.2902 10.0968 10.0968 10.3668 10.3668 k = 0.2500 0.1443-0.0000 ( 5054 PWs) bands (ev): -34.0221 -34.0221 -15.2862 -15.2862 -14.9180 -14.9180 -14.8982 -14.8982 -2.5916 -2.5916 -2.4046 -2.4046 -1.7485 -1.7485 -1.7264 -1.7264 -1.6420 -1.6420 -1.4001 -1.4001 -1.0787 -1.0787 -1.0427 -1.0427 -0.9952 -0.9952 -0.9279 -0.9279 -0.8470 -0.8470 -0.3276 -0.3276 3.1853 3.1853 4.1147 4.1147 5.1793 5.1793 5.9167 5.9167 6.6726 6.6726 7.0244 7.0244 8.6818 8.6818 9.3240 9.3240 10.1378 10.1378 10.3838 10.3838 k = 0.2625 0.1516-0.0000 ( 5062 PWs) bands (ev): -34.0221 -34.0221 -15.2865 -15.2865 -14.9182 -14.9182 -14.8987 -14.8987 -2.5765 -2.5765 -2.4034 -2.4034 -1.7461 -1.7461 -1.7258 -1.7258 -1.6298 -1.6298 -1.3932 -1.3932 -1.0780 -1.0780 -1.0342 -1.0342 -0.9953 -0.9953 -0.9311 -0.9311 -0.8430 -0.8430 -0.3085 -0.3085 3.2292 3.2292 3.9957 3.9957 5.0698 5.0698 5.8808 5.8808 6.6043 6.6043 6.9664 6.9664 8.6409 8.6409 9.3564 9.3564 10.1722 10.1722 10.4036 10.4036 k = 0.2750 0.1588-0.0000 ( 5052 PWs) bands (ev): -34.0220 -34.0220 -15.2868 -15.2868 -14.9183 -14.9183 -14.8992 -14.8992 -2.5619 -2.5619 -2.4023 -2.4023 -1.7437 -1.7437 -1.7251 -1.7251 -1.6173 -1.6173 -1.3861 -1.3861 -1.0774 -1.0774 -1.0260 -1.0260 -0.9944 -0.9944 -0.9334 -0.9334 -0.8380 -0.8380 -0.2898 -0.2898 3.2723 3.2723 3.8806 3.8806 4.9656 4.9656 5.8456 5.8456 6.5348 6.5348 6.9114 6.9114 8.5984 8.5984 9.3872 9.3872 10.1987 10.1987 10.4263 10.4263 k = 0.2875 0.1660-0.0000 ( 5056 PWs) bands (ev): -34.0220 -34.0220 -15.2870 -15.2870 -14.9185 -14.9185 -14.8996 -14.8996 -2.5478 -2.5478 -2.4013 -2.4013 -1.7414 -1.7414 -1.7244 -1.7244 -1.6050 -1.6050 -1.3790 -1.3790 -1.0767 -1.0767 -1.0196 -1.0196 -0.9920 -0.9920 -0.9347 -0.9347 -0.8320 -0.8320 -0.2718 -0.2718 3.3131 3.3131 3.7705 3.7705 4.8675 4.8675 5.8113 5.8113 6.4641 6.4641 6.8596 6.8596 8.5552 8.5552 9.4164 9.4164 10.2163 10.2163 10.4516 10.4516 k = 0.3000 0.1732-0.0000 ( 5054 PWs) bands (ev): -34.0220 -34.0220 -15.2873 -15.2873 -14.9187 -14.9187 -14.9001 -14.9001 -2.5344 -2.5344 -2.4005 -2.4005 -1.7392 -1.7392 -1.7237 -1.7237 -1.5929 -1.5929 -1.3718 -1.3718 -1.0761 -1.0761 -1.0158 -1.0158 -0.9878 -0.9878 -0.9342 -0.9342 -0.8243 -0.8243 -0.2545 -0.2545 3.3488 3.3488 3.6679 3.6679 4.7764 4.7764 5.7778 5.7778 6.3924 6.3924 6.8110 6.8110 8.5121 8.5121 9.4439 9.4439 10.2243 10.2243 10.4794 10.4794 k = 0.3125 0.1804-0.0000 ( 5054 PWs) bands (ev): -34.0219 -34.0219 -15.2875 -15.2875 -14.9188 -14.9188 -14.9005 -14.9005 -2.5217 -2.5217 -2.3998 -2.3998 -1.7372 -1.7372 -1.7229 -1.7229 -1.5811 -1.5811 -1.3648 -1.3648 -1.0754 -1.0754 -1.0147 -1.0147 -0.9831 -0.9831 -0.9314 -0.9314 -0.8144 -0.8144 -0.2385 -0.2385 3.3716 3.3716 3.5798 3.5798 4.6932 4.6932 5.7456 5.7456 6.3199 6.3199 6.7657 6.7657 8.4695 8.4695 9.4699 9.4699 10.2225 10.2225 10.5096 10.5096 k = 0.3250 0.1876-0.0000 ( 5052 PWs) bands (ev): -34.0219 -34.0219 -15.2878 -15.2878 -14.9190 -14.9190 -14.9009 -14.9009 -2.5097 -2.5097 -2.3993 -2.3993 -1.7353 -1.7353 -1.7221 -1.7221 -1.5698 -1.5698 -1.3579 -1.3579 -1.0748 -1.0748 -1.0151 -1.0151 -0.9796 -0.9796 -0.9261 -0.9261 -0.8015 -0.8015 -0.2239 -0.2239 3.3600 3.3600 3.5272 3.5272 4.6192 4.6192 5.7146 5.7146 6.2469 6.2469 6.7235 6.7235 8.4280 8.4280 9.4944 9.4944 10.2117 10.2117 10.5420 10.5420 k = 0.3375 0.1949-0.0000 ( 5052 PWs) bands (ev): -34.0219 -34.0219 -15.2880 -15.2880 -14.9192 -14.9192 -14.9013 -14.9013 -2.4985 -2.4985 -2.3989 -2.3989 -1.7336 -1.7336 -1.7212 -1.7212 -1.5591 -1.5591 -1.3512 -1.3512 -1.0741 -1.0741 -1.0165 -1.0165 -0.9778 -0.9778 -0.9194 -0.9194 -0.7852 -0.7852 -0.2111 -0.2111 3.3015 3.3015 3.5214 3.5214 4.5558 4.5558 5.6851 5.6851 6.1737 6.1737 6.6846 6.6846 8.3879 8.3879 9.5174 9.5174 10.1933 10.1933 10.5764 10.5764 k = 0.3500 0.2021-0.0000 ( 5052 PWs) bands (ev): -34.0218 -34.0218 -15.2882 -15.2882 -14.9193 -14.9193 -14.9016 -14.9016 -2.4881 -2.4881 -2.3986 -2.3986 -1.7320 -1.7320 -1.7204 -1.7204 -1.5490 -1.5490 -1.3449 -1.3449 -1.0735 -1.0735 -1.0186 -1.0186 -0.9771 -0.9771 -0.9123 -0.9123 -0.7648 -0.7648 -0.2004 -0.2004 3.2241 3.2241 3.5335 3.5335 4.5045 4.5045 5.6572 5.6572 6.1006 6.1006 6.6488 6.6488 8.3495 8.3495 9.5391 9.5391 10.1692 10.1692 10.6127 10.6127 k = 0.3625 0.2093-0.0000 ( 5050 PWs) bands (ev): -34.0218 -34.0218 -15.2884 -15.2884 -14.9195 -14.9195 -14.9019 -14.9019 -2.4785 -2.4785 -2.3985 -2.3985 -1.7306 -1.7306 -1.7195 -1.7195 -1.5397 -1.5397 -1.3390 -1.3390 -1.0728 -1.0728 -1.0210 -1.0210 -0.9770 -0.9770 -0.9058 -0.9058 -0.7405 -0.7405 -0.1920 -0.1920 3.1448 3.1448 3.5454 3.5454 4.4666 4.4666 5.6310 5.6310 6.0279 6.0279 6.6160 6.6160 8.3132 8.3132 9.5593 9.5593 10.1413 10.1413 10.6506 10.6506 k = 0.3750 0.2165-0.0000 ( 5038 PWs) bands (ev): -34.0218 -34.0218 -15.2886 -15.2886 -14.9196 -14.9196 -14.9022 -14.9022 -2.4698 -2.4698 -2.3984 -2.3984 -1.7294 -1.7294 -1.7186 -1.7186 -1.5311 -1.5311 -1.3335 -1.3335 -1.0720 -1.0720 -1.0238 -1.0238 -0.9772 -0.9772 -0.9002 -0.9002 -0.7125 -0.7125 -0.1863 -0.1863 3.0688 3.0688 3.5514 3.5514 4.4429 4.4429 5.6067 5.6067 5.9561 5.9561 6.5862 6.5862 8.2791 8.2791 9.5783 9.5783 10.1113 10.1113 10.6898 10.6898 k = 0.3875 0.2237-0.0000 ( 5042 PWs) bands (ev): -34.0217 -34.0217 -15.2888 -15.2888 -14.9198 -14.9198 -14.9025 -14.9025 -2.4619 -2.4619 -2.3984 -2.3984 -1.7282 -1.7282 -1.7178 -1.7178 -1.5234 -1.5234 -1.3285 -1.3285 -1.0712 -1.0712 -1.0268 -1.0268 -0.9776 -0.9776 -0.8957 -0.8957 -0.6815 -0.6815 -0.1836 -0.1836 2.9980 2.9980 3.5501 3.5501 4.4333 4.4333 5.5844 5.5844 5.8857 5.8857 6.5594 6.5594 8.2475 8.2475 9.5959 9.5959 10.0807 10.0807 10.7300 10.7300 k = 0.4000 0.2309-0.0000 ( 5042 PWs) bands (ev): -34.0217 -34.0217 -15.2889 -15.2889 -14.9199 -14.9199 -14.9027 -14.9027 -2.4548 -2.4548 -2.3986 -2.3986 -1.7272 -1.7272 -1.7171 -1.7171 -1.5165 -1.5165 -1.3239 -1.3239 -1.0703 -1.0703 -1.0300 -1.0300 -0.9779 -0.9779 -0.8921 -0.8921 -0.6481 -0.6481 -0.1841 -0.1841 2.9334 2.9334 3.5419 3.5419 4.4365 4.4365 5.5641 5.5641 5.8172 5.8172 6.5355 6.5355 8.2186 8.2186 9.6123 9.6123 10.0507 10.0507 10.7709 10.7709 k = 0.4125 0.2382-0.0000 ( 5044 PWs) bands (ev): -34.0217 -34.0217 -15.2891 -15.2891 -14.9201 -14.9201 -14.9029 -14.9029 -2.4485 -2.4485 -2.3988 -2.3988 -1.7263 -1.7263 -1.7164 -1.7164 -1.5104 -1.5104 -1.3199 -1.3199 -1.0693 -1.0693 -1.0333 -1.0333 -0.9782 -0.9782 -0.8892 -0.8892 -0.6131 -0.6131 -0.1880 -0.1880 2.8755 2.8755 3.5283 3.5283 4.4503 4.4503 5.5459 5.5459 5.7514 5.7514 6.5145 6.5145 8.1927 8.1927 9.6275 9.6275 10.0221 10.0221 10.8118 10.8118 k = 0.4250 0.2454-0.0000 ( 5048 PWs) bands (ev): -34.0217 -34.0217 -15.2892 -15.2892 -14.9202 -14.9202 -14.9031 -14.9031 -2.4430 -2.4430 -2.3991 -2.3991 -1.7255 -1.7255 -1.7158 -1.7158 -1.5051 -1.5051 -1.3165 -1.3165 -1.0681 -1.0681 -1.0366 -1.0366 -0.9784 -0.9784 -0.8869 -0.8869 -0.5773 -0.5773 -0.1952 -0.1952 2.8247 2.8247 3.5114 3.5114 4.4718 4.4718 5.5299 5.5299 5.6893 5.6893 6.4963 6.4963 8.1698 8.1698 9.6412 9.6412 9.9956 9.9956 10.8522 10.8522 k = 0.4375 0.2526-0.0000 ( 5046 PWs) bands (ev): -34.0217 -34.0217 -15.2893 -15.2893 -14.9203 -14.9203 -14.9033 -14.9033 -2.4383 -2.4383 -2.3994 -2.3994 -1.7248 -1.7248 -1.7153 -1.7153 -1.5007 -1.5007 -1.3135 -1.3135 -1.0668 -1.0668 -1.0398 -1.0398 -0.9785 -0.9785 -0.8851 -0.8851 -0.5413 -0.5413 -0.2056 -0.2056 2.7814 2.7814 3.4933 3.4933 4.4980 4.4980 5.5162 5.5162 5.6320 5.6320 6.4809 6.4809 8.1501 8.1501 9.6536 9.6536 9.9719 9.9719 10.8911 10.8911 k = 0.4500 0.2598-0.0000 ( 5044 PWs) bands (ev): -34.0217 -34.0217 -15.2894 -15.2894 -14.9204 -14.9204 -14.9034 -14.9034 -2.4344 -2.4344 -2.3997 -2.3997 -1.7242 -1.7242 -1.7149 -1.7149 -1.4970 -1.4970 -1.3111 -1.3111 -1.0654 -1.0654 -1.0429 -1.0429 -0.9786 -0.9786 -0.8837 -0.8837 -0.5064 -0.5064 -0.2188 -0.2188 2.7457 2.7457 3.4761 3.4761 4.5257 4.5257 5.5046 5.5046 5.5812 5.5812 6.4684 6.4684 8.1339 8.1339 9.6644 9.6644 9.9515 9.9515 10.9272 10.9273 k = 0.4625 0.2670-0.0000 ( 5040 PWs) bands (ev): -34.0216 -34.0216 -15.2895 -15.2895 -14.9205 -14.9205 -14.9035 -14.9035 -2.4313 -2.4313 -2.4001 -2.4001 -1.7238 -1.7238 -1.7146 -1.7146 -1.4942 -1.4942 -1.3092 -1.3092 -1.0638 -1.0638 -1.0457 -1.0457 -0.9787 -0.9787 -0.8827 -0.8827 -0.4738 -0.4738 -0.2340 -0.2340 2.7179 2.7179 3.4611 3.4611 4.5518 4.5518 5.4947 5.4947 5.5392 5.5392 6.4586 6.4586 8.1211 8.1211 9.6733 9.6733 9.9349 9.9349 10.9589 10.9589 k = 0.4750 0.2742-0.0000 ( 5042 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4291 -2.4291 -2.4004 -2.4004 -1.7234 -1.7234 -1.7144 -1.7144 -1.4921 -1.4921 -1.3078 -1.3078 -1.0622 -1.0622 -1.0483 -1.0483 -0.9787 -0.9787 -0.8820 -0.8820 -0.4455 -0.4455 -0.2495 -0.2495 2.6979 2.6979 3.4497 3.4497 4.5733 4.5733 5.4851 5.4851 5.5094 5.5094 6.4517 6.4517 8.1119 8.1119 9.6801 9.6801 9.9225 9.9225 10.9837 10.9839 k = 0.4875 0.2815-0.0000 ( 5046 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4278 -2.4278 -2.4005 -2.4005 -1.7233 -1.7233 -1.7143 -1.7143 -1.4909 -1.4909 -1.3071 -1.3071 -1.0610 -1.0610 -1.0502 -1.0502 -0.9788 -0.9788 -0.8817 -0.8817 -0.4250 -0.4250 -0.2623 -0.2623 2.6859 2.6859 3.4424 3.4424 4.5875 4.5875 5.4742 5.4742 5.4956 5.4956 6.4475 6.4475 8.1064 8.1064 9.6843 9.6843 9.9148 9.9148 10.9994 10.9997 k = 0.5000 0.2887-0.0000 ( 5054 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9206 -14.9206 -14.9037 -14.9037 -2.4273 -2.4273 -2.4006 -2.4006 -1.7233 -1.7233 -1.7143 -1.7143 -1.4906 -1.4906 -1.3069 -1.3069 -1.0605 -1.0605 -1.0510 -1.0510 -0.9788 -0.9788 -0.8816 -0.8816 -0.4174 -0.4174 -0.2674 -0.2674 2.6819 2.6819 3.4400 3.4400 4.5924 4.5924 5.4690 5.4690 5.4924 5.4924 6.4461 6.4461 8.1045 8.1045 9.6858 9.6858 9.9122 9.9122 11.0130 11.0211 k = 0.5000 0.2887-0.0000 ( 5054 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9206 -14.9206 -14.9037 -14.9037 -2.4273 -2.4273 -2.4006 -2.4006 -1.7233 -1.7233 -1.7143 -1.7143 -1.4906 -1.4906 -1.3069 -1.3069 -1.0605 -1.0605 -1.0510 -1.0510 -0.9788 -0.9788 -0.8816 -0.8816 -0.4174 -0.4174 -0.2674 -0.2674 2.6819 2.6819 3.4400 3.4400 4.5924 4.5924 5.4690 5.4690 5.4924 5.4924 6.4461 6.4461 8.1045 8.1045 9.6858 9.6858 9.9122 9.9122 11.0103 11.0161 k = 0.4928 0.3012-0.0000 ( 5042 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9037 -14.9037 -2.4277 -2.4277 -2.4000 -2.4000 -1.7235 -1.7235 -1.7139 -1.7139 -1.4908 -1.4908 -1.3065 -1.3065 -1.0604 -1.0604 -1.0508 -1.0508 -0.9787 -0.9787 -0.8817 -0.8817 -0.4171 -0.4171 -0.2667 -0.2667 2.6832 2.6832 3.4395 3.4395 4.5936 4.5936 5.4674 5.4674 5.4831 5.4831 6.4418 6.4418 8.1179 8.1179 9.6879 9.6879 9.9118 9.9118 11.0106 11.0127 k = 0.4855 0.3138-0.0000 ( 5036 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9037 -14.9037 -2.4288 -2.4288 -2.3984 -2.3984 -1.7243 -1.7243 -1.7130 -1.7130 -1.4915 -1.4915 -1.3054 -1.3054 -1.0603 -1.0603 -1.0504 -1.0504 -0.9786 -0.9786 -0.8821 -0.8821 -0.4165 -0.4165 -0.2645 -0.2645 2.6869 2.6869 3.4381 3.4381 4.5971 4.5971 5.4458 5.4458 5.4726 5.4726 6.4290 6.4290 8.1571 8.1571 9.6940 9.6940 9.9106 9.9106 10.9861 10.9868 k = 0.4783 0.3263-0.0000 ( 5034 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9038 -14.9038 -2.4303 -2.4303 -2.3959 -2.3959 -1.7255 -1.7255 -1.7117 -1.7117 -1.4927 -1.4927 -1.3038 -1.3038 -1.0602 -1.0602 -1.0497 -1.0497 -0.9785 -0.9785 -0.8830 -0.8830 -0.4155 -0.4155 -0.2610 -0.2610 2.6931 2.6931 3.4357 3.4357 4.6029 4.6029 5.3960 5.3960 5.4713 5.4713 6.4083 6.4083 8.2201 8.2201 9.7037 9.7037 9.9084 9.9084 10.9427 10.9427 k = 0.4710 0.3389-0.0000 ( 5038 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9204 -14.9204 -14.9039 -14.9039 -2.4320 -2.4320 -2.3929 -2.3929 -1.7268 -1.7268 -1.7103 -1.7103 -1.4944 -1.4944 -1.3016 -1.3016 -1.0600 -1.0600 -1.0488 -1.0488 -0.9783 -0.9783 -0.8843 -0.8843 -0.4139 -0.4139 -0.2562 -0.2562 2.7018 2.7018 3.4323 3.4323 4.6109 4.6109 5.3292 5.3292 5.4706 5.4706 6.3801 6.3801 8.3038 8.3038 9.7161 9.7161 9.9050 9.9050 10.8815 10.8815 k = 0.4638 0.3514-0.0000 ( 5040 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9203 -14.9203 -14.9041 -14.9041 -2.4339 -2.4339 -2.3894 -2.3894 -1.7282 -1.7282 -1.7087 -1.7087 -1.4964 -1.4964 -1.2990 -1.2990 -1.0599 -1.0599 -1.0476 -1.0476 -0.9780 -0.9780 -0.8859 -0.8859 -0.4119 -0.4119 -0.2503 -0.2503 2.7129 2.7129 3.4279 3.4279 4.6209 4.6209 5.2497 5.2497 5.4697 5.4697 6.3454 6.3454 8.4048 8.4048 9.7303 9.7303 9.8999 9.8999 10.8085 10.8085 k = 0.4565 0.3640-0.0000 ( 5044 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9203 -14.9203 -14.9042 -14.9042 -2.4357 -2.4357 -2.3856 -2.3856 -1.7296 -1.7296 -1.7071 -1.7071 -1.4987 -1.4987 -1.2960 -1.2960 -1.0596 -1.0596 -1.0462 -1.0462 -0.9776 -0.9776 -0.8879 -0.8879 -0.4092 -0.4092 -0.2434 -0.2434 2.7263 2.7263 3.4224 3.4224 4.6326 4.6326 5.1609 5.1609 5.4685 5.4685 6.3052 6.3052 8.5195 8.5195 9.7453 9.7453 9.8927 9.8927 10.7295 10.7295 k = 0.4493 0.3765-0.0000 ( 5052 PWs) bands (ev): -34.0216 -34.0216 -15.2898 -15.2898 -14.9202 -14.9202 -14.9045 -14.9045 -2.4375 -2.4375 -2.3817 -2.3817 -1.7310 -1.7310 -1.7056 -1.7056 -1.5013 -1.5013 -1.2927 -1.2927 -1.0593 -1.0593 -1.0444 -1.0444 -0.9773 -0.9773 -0.8902 -0.8902 -0.4059 -0.4059 -0.2357 -0.2357 2.7421 2.7421 3.4158 3.4158 4.6455 4.6455 5.0662 5.0662 5.4666 5.4666 6.2606 6.2606 8.6447 8.6447 9.7600 9.7600 9.8827 9.8827 10.6499 10.6499 k = 0.4420 0.3891-0.0000 ( 5044 PWs) bands (ev): -34.0216 -34.0216 -15.2898 -15.2898 -14.9201 -14.9201 -14.9047 -14.9047 -2.4390 -2.4390 -2.3777 -2.3777 -1.7322 -1.7322 -1.7039 -1.7039 -1.5039 -1.5039 -1.2892 -1.2892 -1.0590 -1.0590 -1.0423 -1.0423 -0.9768 -0.9768 -0.8927 -0.8927 -0.4018 -0.4018 -0.2273 -0.2273 2.7602 2.7602 3.4082 3.4082 4.6580 4.6580 4.9697 4.9697 5.4639 5.4639 6.2126 6.2126 8.7773 8.7773 9.7729 9.7729 9.8696 9.8696 10.5740 10.5740 k = 0.4348 0.4016-0.0000 ( 5040 PWs) bands (ev): -34.0216 -34.0216 -15.2898 -15.2898 -14.9200 -14.9200 -14.9049 -14.9049 -2.4404 -2.4404 -2.3736 -2.3736 -1.7335 -1.7335 -1.7023 -1.7023 -1.5067 -1.5067 -1.2855 -1.2855 -1.0587 -1.0587 -1.0398 -1.0398 -0.9763 -0.9763 -0.8955 -0.8955 -0.3969 -0.3969 -0.2184 -0.2184 2.7804 2.7804 3.3994 3.3994 4.6653 4.6653 4.8781 4.8781 5.4602 5.4602 6.1625 6.1625 8.9142 8.9142 9.7815 9.7815 9.8544 9.8544 10.5054 10.5054 k = 0.4275 0.4142-0.0000 ( 5054 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9199 -14.9199 -14.9052 -14.9052 -2.4418 -2.4418 -2.3696 -2.3696 -1.7347 -1.7347 -1.7009 -1.7009 -1.5096 -1.5096 -1.2819 -1.2819 -1.0585 -1.0585 -1.0370 -1.0370 -0.9758 -0.9758 -0.8987 -0.8987 -0.3914 -0.3914 -0.2094 -0.2094 2.8026 2.8026 3.3894 3.3894 4.6512 4.6512 4.8094 4.8094 5.4552 5.4552 6.1112 6.1112 9.0526 9.0526 9.7793 9.7793 9.8426 9.8426 10.4473 10.4473 k = 0.4203 0.4267-0.0000 ( 5050 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9197 -14.9197 -14.9054 -14.9054 -2.4429 -2.4429 -2.3656 -2.3656 -1.7357 -1.7357 -1.6993 -1.6993 -1.5124 -1.5124 -1.2782 -1.2782 -1.0583 -1.0583 -1.0338 -1.0338 -0.9752 -0.9752 -0.9020 -0.9020 -0.3850 -0.3850 -0.2003 -0.2003 2.8267 2.8267 3.3783 3.3783 4.5923 4.5923 4.7885 4.7885 5.4486 5.4486 6.0598 6.0598 9.1893 9.1893 9.7591 9.7591 9.8412 9.8412 10.4020 10.4020 k = 0.4130 0.4393-0.0000 ( 5052 PWs) bands (ev): -34.0216 -34.0216 -15.2900 -15.2900 -14.9196 -14.9196 -14.9057 -14.9057 -2.4438 -2.4438 -2.3618 -2.3618 -1.7367 -1.7367 -1.6979 -1.6979 -1.5151 -1.5151 -1.2746 -1.2746 -1.0581 -1.0581 -1.0302 -1.0302 -0.9746 -0.9746 -0.9056 -0.9056 -0.3778 -0.3778 -0.1915 -0.1915 2.8526 2.8526 3.3661 3.3661 4.5060 4.5060 4.7992 4.7992 5.4403 5.4403 6.0091 6.0091 9.3204 9.3204 9.7255 9.7255 9.8472 9.8472 10.3706 10.3706 k = 0.4058 0.4518-0.0000 ( 5056 PWs) bands (ev): -34.0216 -34.0216 -15.2900 -15.2900 -14.9195 -14.9195 -14.9060 -14.9060 -2.4446 -2.4446 -2.3582 -2.3582 -1.7376 -1.7376 -1.6966 -1.6966 -1.5177 -1.5177 -1.2712 -1.2712 -1.0581 -1.0581 -1.0264 -1.0264 -0.9740 -0.9740 -0.9093 -0.9093 -0.3698 -0.3698 -0.1831 -0.1831 2.8798 2.8798 3.3529 3.3529 4.4134 4.4134 4.8216 4.8216 5.4299 5.4299 5.9600 5.9600 9.4397 9.4397 9.6878 9.6878 9.8559 9.8559 10.3539 10.3539 k = 0.3986 0.4644-0.0000 ( 5062 PWs) bands (ev): -34.0216 -34.0216 -15.2901 -15.2901 -14.9193 -14.9193 -14.9063 -14.9063 -2.4453 -2.4453 -2.3547 -2.3547 -1.7383 -1.7383 -1.6953 -1.6953 -1.5202 -1.5202 -1.2680 -1.2680 -1.0582 -1.0582 -1.0225 -1.0225 -0.9733 -0.9733 -0.9131 -0.9131 -0.3610 -0.3610 -0.1755 -0.1755 2.9082 2.9082 3.3388 3.3388 4.3218 4.3218 4.8493 4.8493 5.4174 5.4174 5.9131 5.9131 9.5292 9.5292 9.6640 9.6640 9.8661 9.8661 10.3521 10.3521 k = 0.3913 0.4769-0.0000 ( 5068 PWs) bands (ev): -34.0216 -34.0216 -15.2901 -15.2901 -14.9192 -14.9192 -14.9066 -14.9066 -2.4459 -2.4459 -2.3516 -2.3516 -1.7390 -1.7390 -1.6941 -1.6941 -1.5224 -1.5224 -1.2651 -1.2651 -1.0583 -1.0583 -1.0184 -1.0184 -0.9725 -0.9725 -0.9170 -0.9170 -0.3516 -0.3516 -0.1687 -0.1687 2.9373 2.9373 3.3240 3.3240 4.2342 4.2342 4.8802 4.8802 5.4025 5.4025 5.8690 5.8690 9.5423 9.5423 9.6985 9.6985 9.8785 9.8785 10.3658 10.3658 k = 0.3841 0.4895-0.0000 ( 5064 PWs) bands (ev): -34.0216 -34.0216 -15.2902 -15.2902 -14.9191 -14.9191 -14.9068 -14.9068 -2.4463 -2.4463 -2.3487 -2.3487 -1.7396 -1.7396 -1.6930 -1.6930 -1.5244 -1.5244 -1.2624 -1.2624 -1.0585 -1.0585 -1.0143 -1.0143 -0.9717 -0.9717 -0.9208 -0.9208 -0.3416 -0.3416 -0.1631 -0.1631 2.9665 2.9665 3.3089 3.3089 4.1523 4.1523 4.9137 4.9137 5.3851 5.3851 5.8283 5.8283 9.5089 9.5089 9.7591 9.7591 9.8944 9.8944 10.3955 10.3955 k = 0.3768 0.5020-0.0000 ( 5058 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9190 -14.9190 -14.9070 -14.9070 -2.4465 -2.4465 -2.3461 -2.3461 -1.7400 -1.7400 -1.6919 -1.6919 -1.5261 -1.5261 -1.2599 -1.2599 -1.0586 -1.0586 -1.0104 -1.0104 -0.9708 -0.9708 -0.9246 -0.9246 -0.3311 -0.3311 -0.1588 -0.1588 2.9951 2.9951 3.2937 3.2937 4.0775 4.0775 4.9491 4.9491 5.3651 5.3651 5.7915 5.7915 9.4692 9.4692 9.8047 9.8047 9.9145 9.9145 10.4404 10.4404 k = 0.3696 0.5146-0.0000 ( 5068 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9189 -14.9189 -14.9073 -14.9073 -2.4468 -2.4468 -2.3439 -2.3439 -1.7404 -1.7404 -1.6911 -1.6911 -1.5276 -1.5276 -1.2579 -1.2579 -1.0589 -1.0589 -1.0069 -1.0069 -0.9698 -0.9698 -0.9282 -0.9282 -0.3205 -0.3205 -0.1561 -0.1561 3.0221 3.0221 3.2793 3.2793 4.0111 4.0111 4.9861 4.9861 5.3424 5.3424 5.7588 5.7588 9.4318 9.4318 9.8327 9.8327 9.9354 9.9354 10.4975 10.4975 k = 0.3623 0.5271-0.0000 ( 5068 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9188 -14.9188 -14.9074 -14.9074 -2.4469 -2.4469 -2.3420 -2.3420 -1.7407 -1.7407 -1.6904 -1.6904 -1.5288 -1.5288 -1.2561 -1.2561 -1.0591 -1.0591 -1.0038 -1.0038 -0.9688 -0.9688 -0.9315 -0.9315 -0.3100 -0.3100 -0.1547 -0.1547 3.0462 3.0462 3.2662 3.2662 3.9544 3.9544 5.0244 5.0244 5.3168 5.3168 5.7308 5.7308 9.3994 9.3994 9.8500 9.8500 9.9523 9.9523 10.5624 10.5624 k = 0.3551 0.5397-0.0000 ( 5064 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9076 -14.9076 -2.4470 -2.4470 -2.3405 -2.3405 -1.7409 -1.7409 -1.6897 -1.6897 -1.5297 -1.5297 -1.2547 -1.2547 -1.0593 -1.0593 -1.0013 -1.0013 -0.9676 -0.9676 -0.9344 -0.9344 -0.3001 -0.3001 -0.1548 -0.1548 3.0659 3.0659 3.2554 3.2554 3.9088 3.9088 5.0637 5.0637 5.2883 5.2883 5.7081 5.7081 9.3733 9.3733 9.8618 9.8618 9.9629 9.9629 10.6303 10.6303 k = 0.3478 0.5522-0.0000 ( 5066 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9077 -14.9077 -2.4470 -2.4470 -2.3395 -2.3395 -1.7410 -1.7410 -1.6893 -1.6893 -1.5303 -1.5303 -1.2537 -1.2537 -1.0596 -1.0596 -0.9995 -0.9995 -0.9666 -0.9666 -0.9366 -0.9366 -0.2917 -0.2917 -0.1558 -0.1558 3.0800 3.0800 3.2478 3.2478 3.8753 3.8753 5.1036 5.1036 5.2567 5.2567 5.6912 5.6912 9.3542 9.3542 9.8704 9.8704 9.9680 9.9680 10.6975 10.6975 k = 0.3406 0.5648-0.0000 ( 5062 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9077 -14.9077 -2.4470 -2.4470 -2.3388 -2.3388 -1.7411 -1.7411 -1.6891 -1.6891 -1.5306 -1.5306 -1.2530 -1.2530 -1.0597 -1.0597 -0.9984 -0.9984 -0.9658 -0.9658 -0.9381 -0.9381 -0.2857 -0.2857 -0.1572 -0.1572 3.0879 3.0879 3.2436 3.2436 3.8550 3.8550 5.1436 5.1436 5.2219 5.2219 5.6806 5.6806 9.3426 9.3426 9.8763 9.8763 9.9693 9.9693 10.7605 10.7606 k = 0.3333 0.5774-0.0000 ( 5076 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4470 -2.4470 -2.3387 -2.3387 -1.7412 -1.7412 -1.6890 -1.6890 -1.5308 -1.5308 -1.2529 -1.2529 -1.0598 -1.0598 -0.9982 -0.9982 -0.9656 -0.9656 -0.9386 -0.9386 -0.2834 -0.2834 -0.1579 -0.1579 3.0901 3.0901 3.2424 3.2424 3.8483 3.8483 5.1810 5.1810 5.1862 5.1862 5.6770 5.6770 9.3388 9.3388 9.8786 9.8786 9.9691 9.9691 10.8008 10.8009 k = 0.3333 0.5774-0.0000 ( 5076 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4470 -2.4470 -2.3387 -2.3387 -1.7412 -1.7412 -1.6890 -1.6890 -1.5308 -1.5308 -1.2529 -1.2529 -1.0598 -1.0598 -0.9982 -0.9982 -0.9656 -0.9656 -0.9386 -0.9386 -0.2834 -0.2834 -0.1579 -0.1579 3.0901 3.0901 3.2424 3.2424 3.8483 3.8483 5.1810 5.1810 5.1862 5.1862 5.6770 5.6770 9.3388 9.3388 9.8786 9.8786 9.9691 9.9691 10.8008 10.8009 k = 0.3261 0.5648-0.0000 ( 5064 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9077 -14.9077 -2.4470 -2.4470 -2.3389 -2.3389 -1.7411 -1.7411 -1.6890 -1.6890 -1.5307 -1.5307 -1.2530 -1.2530 -1.0597 -1.0597 -0.9984 -0.9984 -0.9658 -0.9658 -0.9381 -0.9381 -0.2860 -0.2860 -0.1569 -0.1569 3.0885 3.0885 3.2433 3.2433 3.8548 3.8548 5.1423 5.1423 5.2231 5.2231 5.6807 5.6807 9.3426 9.3426 9.8757 9.8757 9.9701 9.9701 10.7810 10.7814 k = 0.3188 0.5522-0.0000 ( 5056 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9077 -14.9077 -2.4470 -2.4470 -2.3395 -2.3395 -1.7410 -1.7410 -1.6893 -1.6893 -1.5303 -1.5303 -1.2537 -1.2537 -1.0594 -1.0594 -0.9992 -0.9992 -0.9665 -0.9665 -0.9368 -0.9368 -0.2945 -0.2945 -0.1537 -0.1537 3.0851 3.0851 3.2458 3.2458 3.8734 3.8734 5.0982 5.0982 5.2616 5.2616 5.6922 5.6922 9.3541 9.3541 9.8663 9.8663 9.9744 9.9744 10.7534 10.7535 k = 0.3116 0.5397-0.0000 ( 5060 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9076 -14.9076 -2.4472 -2.4472 -2.3405 -2.3405 -1.7410 -1.7410 -1.6898 -1.6898 -1.5300 -1.5300 -1.2549 -1.2549 -1.0591 -1.0591 -1.0006 -1.0006 -0.9676 -0.9676 -0.9350 -0.9350 -0.3087 -0.3087 -0.1485 -0.1485 3.0815 3.0815 3.2500 3.2500 3.9027 3.9027 5.0517 5.0517 5.2991 5.2991 5.7113 5.7113 9.3730 9.3730 9.8506 9.8506 9.9824 9.9824 10.7247 10.7250 k = 0.3043 0.5271-0.0000 ( 5056 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9188 -14.9188 -14.9074 -14.9074 -2.4474 -2.4474 -2.3420 -2.3420 -1.7408 -1.7408 -1.6904 -1.6904 -1.5295 -1.5295 -1.2566 -1.2566 -1.0586 -1.0586 -1.0023 -1.0023 -0.9688 -0.9688 -0.9329 -0.9329 -0.3280 -0.3280 -0.1419 -0.1419 3.0792 3.0792 3.2565 3.2565 3.9407 3.9407 5.0033 5.0033 5.3356 5.3356 5.7380 5.7380 9.3987 9.3987 9.8299 9.8299 9.9935 9.9935 10.6957 10.6957 k = 0.2971 0.5146-0.0000 ( 5050 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9188 -14.9188 -14.9072 -14.9072 -2.4477 -2.4477 -2.3438 -2.3438 -1.7407 -1.7407 -1.6912 -1.6912 -1.5290 -1.5290 -1.2588 -1.2588 -1.0580 -1.0580 -1.0043 -1.0043 -0.9701 -0.9701 -0.9306 -0.9306 -0.3516 -0.3516 -0.1350 -0.1350 3.0789 3.0789 3.2660 3.2660 3.9857 3.9857 4.9540 4.9540 5.3714 5.3714 5.7716 5.7716 9.4305 9.4305 9.8058 9.8058 10.0069 10.0069 10.6664 10.6667 k = 0.2899 0.5020-0.0000 ( 5060 PWs) bands (ev): -34.0216 -34.0216 -15.2901 -15.2901 -14.9189 -14.9189 -14.9070 -14.9070 -2.4482 -2.4482 -2.3461 -2.3461 -1.7406 -1.7406 -1.6922 -1.6922 -1.5286 -1.5286 -1.2616 -1.2616 -1.0572 -1.0572 -1.0065 -1.0065 -0.9713 -0.9713 -0.9285 -0.9285 -0.3789 -0.3789 -0.1283 -0.1283 3.0816 3.0816 3.2793 3.2793 4.0359 4.0359 4.9045 4.9045 5.4069 5.4069 5.8116 5.8116 9.4669 9.4669 9.7803 9.7803 10.0220 10.0220 10.6370 10.6373 k = 0.2826 0.4895-0.0000 ( 5060 PWs) bands (ev): -34.0216 -34.0216 -15.2901 -15.2901 -14.9189 -14.9189 -14.9067 -14.9067 -2.4489 -2.4489 -2.3486 -2.3486 -1.7405 -1.7405 -1.6934 -1.6934 -1.5283 -1.5283 -1.2650 -1.2650 -1.0562 -1.0562 -1.0089 -1.0089 -0.9724 -0.9724 -0.9264 -0.9264 -0.4090 -0.4090 -0.1223 -0.1223 3.0878 3.0878 3.2965 3.2965 4.0897 4.0897 4.8563 4.8563 5.4427 5.4427 5.8571 5.8571 9.5052 9.5052 9.7568 9.7568 10.0382 10.0382 10.6075 10.6078 k = 0.2754 0.4769-0.0000 ( 5048 PWs) bands (ev): -34.0216 -34.0216 -15.2900 -15.2900 -14.9190 -14.9190 -14.9065 -14.9065 -2.4499 -2.4499 -2.3515 -2.3515 -1.7404 -1.7404 -1.6946 -1.6946 -1.5282 -1.5282 -1.2688 -1.2688 -1.0551 -1.0551 -1.0112 -1.0112 -0.9733 -0.9733 -0.9245 -0.9245 -0.4413 -0.4413 -0.1176 -0.1176 3.0980 3.0980 3.3176 3.3176 4.1453 4.1453 4.8111 4.8111 5.4792 5.4792 5.9073 5.9073 9.5390 9.5390 9.7418 9.7418 10.0548 10.0548 10.5780 10.5781 k = 0.2681 0.4644-0.0000 ( 5046 PWs) bands (ev): -34.0216 -34.0216 -15.2898 -15.2898 -14.9190 -14.9190 -14.9061 -14.9061 -2.4512 -2.4512 -2.3546 -2.3546 -1.7404 -1.7404 -1.6960 -1.6960 -1.5284 -1.5284 -1.2733 -1.2733 -1.0540 -1.0540 -1.0135 -1.0135 -0.9741 -0.9741 -0.9230 -0.9230 -0.4754 -0.4754 -0.1145 -0.1145 3.1129 3.1129 3.3423 3.3423 4.2003 4.2003 4.7714 4.7714 5.5171 5.5171 5.9615 5.9615 9.5566 9.5566 9.7471 9.7471 10.0712 10.0712 10.5486 10.5486 k = 0.2609 0.4518-0.0000 ( 5050 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9190 -14.9190 -14.9058 -14.9058 -2.4530 -2.4530 -2.3580 -2.3580 -1.7404 -1.7404 -1.6976 -1.6976 -1.5291 -1.5291 -1.2783 -1.2783 -1.0529 -1.0529 -1.0157 -1.0157 -0.9749 -0.9749 -0.9217 -0.9217 -0.5105 -0.5105 -0.1132 -0.1132 3.1326 3.1326 3.3700 3.3700 4.2519 4.2519 4.7407 4.7407 5.5565 5.5565 6.0190 6.0190 9.5502 9.5502 9.7805 9.7805 10.0866 10.0866 10.5200 10.5201 k = 0.2536 0.4393-0.0000 ( 5041 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9190 -14.9190 -14.9054 -14.9054 -2.4551 -2.4551 -2.3615 -2.3615 -1.7403 -1.7403 -1.6991 -1.6991 -1.5301 -1.5301 -1.2838 -1.2838 -1.0518 -1.0518 -1.0176 -1.0176 -0.9754 -0.9754 -0.9209 -0.9209 -0.5461 -0.5461 -0.1138 -0.1138 3.1575 3.1575 3.3996 3.3996 4.2960 4.2960 4.7238 4.7238 5.5979 5.5979 6.0793 6.0793 9.5268 9.5268 9.8347 9.8347 10.0998 10.0998 10.4925 10.4926 k = 0.2464 0.4267-0.0000 ( 5041 PWs) bands (ev): -34.0216 -34.0216 -15.2894 -15.2894 -14.9190 -14.9190 -14.9051 -14.9051 -2.4579 -2.4579 -2.3651 -2.3651 -1.7404 -1.7404 -1.7009 -1.7009 -1.5318 -1.5318 -1.2898 -1.2898 -1.0511 -1.0511 -1.0191 -1.0191 -0.9759 -0.9759 -0.9205 -0.9205 -0.5817 -0.5817 -0.1165 -0.1165 3.1876 3.1876 3.4298 3.4298 4.3287 4.3287 4.7260 4.7260 5.6414 5.6414 6.1420 6.1420 9.4955 9.4955 9.9003 9.9003 10.1098 10.1098 10.4660 10.4660 k = 0.2391 0.4142-0.0000 ( 5049 PWs) bands (ev): -34.0217 -34.0217 -15.2893 -15.2893 -14.9190 -14.9190 -14.9047 -14.9047 -2.4614 -2.4614 -2.3688 -2.3688 -1.7406 -1.7406 -1.7027 -1.7027 -1.5342 -1.5342 -1.2964 -1.2964 -1.0509 -1.0509 -1.0202 -1.0202 -0.9762 -0.9762 -0.9207 -0.9207 -0.6168 -0.6168 -0.1214 -0.1214 3.2231 3.2231 3.4590 3.4590 4.3488 4.3488 4.7500 4.7500 5.6871 5.6871 6.2066 6.2066 9.4607 9.4607 9.9712 9.9712 10.1156 10.1156 10.4385 10.4385 k = 0.2319 0.4016-0.0000 ( 5051 PWs) bands (ev): -34.0217 -34.0217 -15.2891 -15.2891 -14.9190 -14.9190 -14.9043 -14.9043 -2.4656 -2.4656 -2.3724 -2.3724 -1.7409 -1.7409 -1.7046 -1.7046 -1.5373 -1.5373 -1.3033 -1.3033 -1.0511 -1.0511 -1.0206 -1.0206 -0.9765 -0.9765 -0.9214 -0.9214 -0.6505 -0.6505 -0.1282 -0.1282 3.2637 3.2637 3.4852 3.4852 4.3606 4.3606 4.7935 4.7935 5.7352 5.7352 6.2728 6.2728 9.4248 9.4248 10.0392 10.0392 10.1203 10.1203 10.4093 10.4093 k = 0.2246 0.3891-0.0000 ( 5049 PWs) bands (ev): -34.0217 -34.0217 -15.2889 -15.2889 -14.9190 -14.9190 -14.9039 -14.9039 -2.4707 -2.4707 -2.3759 -2.3759 -1.7412 -1.7412 -1.7064 -1.7064 -1.5411 -1.5411 -1.3107 -1.3107 -1.0519 -1.0519 -1.0204 -1.0204 -0.9768 -0.9768 -0.9227 -0.9227 -0.6825 -0.6825 -0.1371 -0.1371 3.3088 3.3088 3.5068 3.5068 4.3712 4.3712 4.8514 4.8514 5.7857 5.7857 6.3404 6.3404 9.3888 9.3888 10.0730 10.0730 10.1505 10.1505 10.3812 10.3812 k = 0.2174 0.3765-0.0000 ( 5053 PWs) bands (ev): -34.0218 -34.0218 -15.2887 -15.2887 -14.9189 -14.9189 -14.9034 -14.9034 -2.4768 -2.4768 -2.3792 -2.3792 -1.7416 -1.7416 -1.7083 -1.7083 -1.5460 -1.5460 -1.3184 -1.3184 -1.0532 -1.0532 -1.0196 -1.0196 -0.9774 -0.9774 -0.9247 -0.9247 -0.7122 -0.7122 -0.1479 -0.1479 3.3565 3.3565 3.5234 3.5234 4.3874 4.3874 4.9187 4.9187 5.8385 5.8385 6.4091 6.4091 9.3535 9.3535 10.0626 10.0626 10.2066 10.2066 10.3620 10.3620 k = 0.2101 0.3640-0.0000 ( 5051 PWs) bands (ev): -34.0218 -34.0218 -15.2885 -15.2885 -14.9189 -14.9189 -14.9030 -14.9030 -2.4839 -2.4839 -2.3823 -2.3823 -1.7421 -1.7421 -1.7101 -1.7101 -1.5517 -1.5517 -1.3263 -1.3263 -1.0550 -1.0550 -1.0184 -1.0184 -0.9783 -0.9783 -0.9272 -0.9272 -0.7391 -0.7391 -0.1605 -0.1605 3.4022 3.4022 3.5381 3.5381 4.4139 4.4139 4.9921 4.9921 5.8938 5.8938 6.4787 6.4787 9.3194 9.3194 10.0370 10.0370 10.2358 10.2358 10.3732 10.3732 k = 0.2029 0.3514-0.0000 ( 5047 PWs) bands (ev): -34.0218 -34.0218 -15.2883 -15.2883 -14.9188 -14.9188 -14.9025 -14.9025 -2.4920 -2.4920 -2.3852 -2.3852 -1.7427 -1.7427 -1.7119 -1.7119 -1.5585 -1.5585 -1.3345 -1.3345 -1.0570 -1.0570 -1.0169 -1.0169 -0.9801 -0.9801 -0.9300 -0.9300 -0.7626 -0.7626 -0.1746 -0.1746 3.4335 3.4335 3.5627 3.5627 4.4529 4.4529 5.0693 5.0693 5.9513 5.9513 6.5490 6.5490 9.2870 9.2870 10.0032 10.0032 10.2233 10.2233 10.4132 10.4133 k = 0.1957 0.3389-0.0000 ( 5047 PWs) bands (ev): -34.0218 -34.0218 -15.2880 -15.2880 -14.9187 -14.9187 -14.9020 -14.9020 -2.5012 -2.5012 -2.3878 -2.3878 -1.7434 -1.7434 -1.7137 -1.7137 -1.5662 -1.5662 -1.3428 -1.3428 -1.0593 -1.0593 -1.0154 -1.0154 -0.9831 -0.9831 -0.9327 -0.9327 -0.7827 -0.7827 -0.1902 -0.1902 3.4381 3.4381 3.6102 3.6102 4.5048 4.5048 5.1488 5.1488 6.0111 6.0111 6.6197 6.6197 9.2566 9.2566 9.9632 9.9632 10.1936 10.1936 10.4296 10.4297 k = 0.1884 0.3263-0.0000 ( 5057 PWs) bands (ev): -34.0219 -34.0219 -15.2878 -15.2878 -14.9186 -14.9186 -14.9015 -14.9015 -2.5114 -2.5114 -2.3903 -2.3903 -1.7443 -1.7443 -1.7155 -1.7155 -1.5750 -1.5750 -1.3513 -1.3513 -1.0617 -1.0617 -1.0141 -1.0141 -0.9877 -0.9877 -0.9347 -0.9347 -0.7993 -0.7993 -0.2071 -0.2071 3.4218 3.4218 3.6760 3.6760 4.5688 4.5688 5.2297 5.2297 6.0731 6.0731 6.6907 6.6907 9.2285 9.2285 9.9182 9.9182 10.1585 10.1585 10.4303 10.4303 k = 0.1812 0.3138-0.0000 ( 5057 PWs) bands (ev): -34.0219 -34.0219 -15.2876 -15.2876 -14.9185 -14.9185 -14.9010 -14.9010 -2.5226 -2.5226 -2.3925 -2.3925 -1.7453 -1.7453 -1.7171 -1.7171 -1.5846 -1.5846 -1.3597 -1.3597 -1.0641 -1.0641 -1.0133 -1.0133 -0.9933 -0.9933 -0.9356 -0.9356 -0.8126 -0.8126 -0.2250 -0.2250 3.3936 3.3936 3.7524 3.7524 4.6437 4.6437 5.3110 5.3110 6.1372 6.1372 6.7617 6.7617 9.2028 9.2028 9.8685 9.8685 10.1214 10.1214 10.4254 10.4254 k = 0.1739 0.3012-0.0000 ( 5057 PWs) bands (ev): -34.0220 -34.0220 -15.2873 -15.2873 -14.9184 -14.9184 -14.9005 -14.9005 -2.5347 -2.5347 -2.3946 -2.3946 -1.7465 -1.7465 -1.7187 -1.7187 -1.5950 -1.5950 -1.3680 -1.3680 -1.0665 -1.0665 -1.0144 -1.0144 -0.9987 -0.9987 -0.9353 -0.9353 -0.8231 -0.8231 -0.2437 -0.2437 3.3584 3.3584 3.8362 3.8362 4.7281 4.7281 5.3923 5.3923 6.2034 6.2034 6.8327 6.8327 9.1796 9.1796 9.8145 9.8145 10.0836 10.0836 10.4158 10.4158 k = 0.1667 0.2887-0.0000 ( 5053 PWs) bands (ev): -34.0220 -34.0220 -15.2871 -15.2871 -14.9183 -14.9183 -14.9000 -14.9000 -2.5476 -2.5476 -2.3967 -2.3967 -1.7478 -1.7478 -1.7201 -1.7201 -1.6060 -1.6060 -1.3761 -1.3761 -1.0687 -1.0687 -1.0192 -1.0192 -1.0013 -1.0013 -0.9339 -0.9339 -0.8314 -0.8314 -0.2631 -0.2631 3.3189 3.3189 3.9259 3.9259 4.8205 4.8205 5.4728 5.4728 6.2714 6.2714 6.9033 6.9033 9.1592 9.1592 9.7560 9.7560 10.0456 10.0456 10.4017 10.4018 k = 0.1594 0.2761-0.0000 ( 5055 PWs) bands (ev): -34.0220 -34.0220 -15.2868 -15.2868 -14.9182 -14.9182 -14.8995 -14.8995 -2.5614 -2.5614 -2.3986 -2.3986 -1.7493 -1.7493 -1.7214 -1.7214 -1.6176 -1.6176 -1.3840 -1.3840 -1.0709 -1.0709 -1.0269 -1.0269 -1.0013 -1.0013 -0.9318 -0.9318 -0.8379 -0.8379 -0.2829 -0.2829 3.2767 3.2767 4.0206 4.0206 4.9200 4.9200 5.5523 5.5523 6.3413 6.3413 6.9734 6.9734 9.1414 9.1414 9.6932 9.6932 10.0082 10.0082 10.3839 10.3839 k = 0.1522 0.2636-0.0000 ( 5063 PWs) bands (ev): -34.0221 -34.0221 -15.2866 -15.2866 -14.9181 -14.9181 -14.8989 -14.8989 -2.5758 -2.5758 -2.4005 -2.4005 -1.7509 -1.7509 -1.7226 -1.7226 -1.6294 -1.6294 -1.3917 -1.3917 -1.0730 -1.0730 -1.0355 -1.0355 -1.0004 -1.0004 -0.9291 -0.9291 -0.8432 -0.8432 -0.3030 -0.3030 3.2330 3.2330 4.1198 4.1198 5.0254 5.0254 5.6301 5.6301 6.4129 6.4129 7.0427 7.0427 9.1262 9.1262 9.6258 9.6258 9.9716 9.9716 10.3627 10.3627 k = 0.1449 0.2510-0.0000 ( 5059 PWs) bands (ev): -34.0221 -34.0221 -15.2863 -15.2863 -14.9179 -14.9179 -14.8984 -14.8984 -2.5908 -2.5908 -2.4024 -2.4024 -1.7527 -1.7527 -1.7238 -1.7238 -1.6413 -1.6413 -1.3990 -1.3990 -1.0748 -1.0748 -1.0439 -1.0439 -0.9991 -0.9991 -0.9259 -0.9259 -0.8475 -0.8475 -0.3232 -0.3232 3.1888 3.1888 4.2232 4.2232 5.1361 5.1361 5.7060 5.7060 6.4859 6.4859 7.1112 7.1112 9.1132 9.1132 9.5538 9.5538 9.9362 9.9362 10.3363 10.3363 k = 0.1377 0.2385-0.0000 ( 5051 PWs) bands (ev): -34.0221 -34.0221 -15.2860 -15.2860 -14.9178 -14.9178 -14.8978 -14.8978 -2.6061 -2.6061 -2.4042 -2.4042 -1.7545 -1.7545 -1.7248 -1.7248 -1.6530 -1.6530 -1.4060 -1.4060 -1.0765 -1.0765 -1.0516 -1.0516 -0.9977 -0.9977 -0.9224 -0.9224 -0.8510 -0.8510 -0.3432 -0.3432 3.1446 3.1446 4.3304 4.3304 5.2513 5.2513 5.7797 5.7797 6.5604 6.5604 7.1785 7.1785 9.1022 9.1022 9.4774 9.4774 9.9024 9.9024 10.3045 10.3045 k = 0.1304 0.2259-0.0000 ( 5055 PWs) bands (ev): -34.0222 -34.0222 -15.2858 -15.2858 -14.9177 -14.9177 -14.8973 -14.8973 -2.6219 -2.6219 -2.4061 -2.4061 -1.7565 -1.7565 -1.7259 -1.7259 -1.6644 -1.6644 -1.4127 -1.4127 -1.0780 -1.0780 -1.0587 -1.0587 -0.9964 -0.9964 -0.9189 -0.9189 -0.8541 -0.8541 -0.3631 -0.3631 3.1010 3.1010 4.4411 4.4411 5.3702 5.3702 5.8509 5.8509 6.6360 6.6360 7.2445 7.2445 9.0925 9.0925 9.3966 9.3966 9.8705 9.8705 10.2740 10.2740 k = 0.1232 0.2134-0.0000 ( 5067 PWs) bands (ev): -34.0222 -34.0222 -15.2855 -15.2855 -14.9176 -14.9176 -14.8968 -14.8968 -2.6378 -2.6378 -2.4080 -2.4080 -1.7587 -1.7587 -1.7271 -1.7271 -1.6752 -1.6752 -1.4191 -1.4191 -1.0795 -1.0795 -1.0650 -1.0650 -0.9951 -0.9951 -0.9155 -0.9155 -0.8567 -0.8567 -0.3826 -0.3826 3.0585 3.0585 4.5548 4.5548 5.4922 5.4922 5.9196 5.9196 6.7125 6.7125 7.3089 7.3089 9.0832 9.0832 9.3122 9.3122 9.8405 9.8405 10.2478 10.2478 k = 0.1159 0.2008-0.0000 ( 5071 PWs) bands (ev): -34.0223 -34.0223 -15.2853 -15.2853 -14.9175 -14.9175 -14.8963 -14.8963 -2.6537 -2.6537 -2.4100 -2.4100 -1.7608 -1.7608 -1.7286 -1.7286 -1.6852 -1.6852 -1.4251 -1.4251 -1.0810 -1.0810 -1.0701 -1.0701 -0.9938 -0.9938 -0.9121 -0.9121 -0.8590 -0.8590 -0.4015 -0.4015 3.0172 3.0172 4.6714 4.6714 5.6161 5.6161 5.9861 5.9861 6.7898 6.7898 7.3716 7.3716 9.0725 9.0725 9.2254 9.2254 9.8127 9.8127 10.2271 10.2271 k = 0.1087 0.1883-0.0000 ( 5075 PWs) bands (ev): -34.0223 -34.0223 -15.2851 -15.2851 -14.9174 -14.9174 -14.8958 -14.8958 -2.6695 -2.6695 -2.4119 -2.4119 -1.7630 -1.7630 -1.7305 -1.7305 -1.6940 -1.6940 -1.4308 -1.4308 -1.0829 -1.0829 -1.0739 -1.0739 -0.9926 -0.9926 -0.9089 -0.9089 -0.8609 -0.8609 -0.4198 -0.4198 2.9776 2.9776 4.7903 4.7903 5.7406 5.7406 6.0512 6.0512 6.8675 6.8675 7.4324 7.4324 9.0538 9.0538 9.1424 9.1424 9.7869 9.7869 10.2129 10.2130 k = 0.1014 0.1757-0.0000 ( 5083 PWs) bands (ev): -34.0223 -34.0223 -15.2848 -15.2848 -14.9173 -14.9173 -14.8953 -14.8953 -2.6851 -2.6851 -2.4138 -2.4138 -1.7653 -1.7653 -1.7332 -1.7332 -1.7013 -1.7013 -1.4360 -1.4360 -1.0855 -1.0855 -1.0761 -1.0761 -0.9915 -0.9915 -0.9062 -0.9062 -0.8625 -0.8625 -0.4373 -0.4373 2.9397 2.9397 4.9114 4.9114 5.8631 5.8631 6.1169 6.1169 6.9453 6.9453 7.4910 7.4910 9.0022 9.0022 9.0880 9.0880 9.7629 9.7629 10.2060 10.2061 k = 0.0942 0.1632-0.0000 ( 5079 PWs) bands (ev): -34.0224 -34.0224 -15.2846 -15.2846 -14.9173 -14.9173 -14.8948 -14.8948 -2.7002 -2.7002 -2.4157 -2.4157 -1.7674 -1.7674 -1.7367 -1.7367 -1.7068 -1.7068 -1.4409 -1.4409 -1.0885 -1.0885 -1.0769 -1.0769 -0.9904 -0.9904 -0.9039 -0.9039 -0.8636 -0.8636 -0.4539 -0.4539 2.9039 2.9039 5.0340 5.0340 5.9784 5.9784 6.1876 6.1876 7.0228 7.0228 7.5472 7.5472 8.9144 8.9144 9.0650 9.0650 9.7405 9.7405 10.2068 10.2072 k = 0.0870 0.1506-0.0000 ( 5087 PWs) bands (ev): -34.0224 -34.0224 -15.2844 -15.2844 -14.9172 -14.9172 -14.8944 -14.8944 -2.7149 -2.7149 -2.4176 -2.4176 -1.7696 -1.7696 -1.7411 -1.7411 -1.7107 -1.7107 -1.4455 -1.4455 -1.0915 -1.0915 -1.0770 -1.0770 -0.9895 -0.9895 -0.9023 -0.9023 -0.8643 -0.8643 -0.4696 -0.4696 2.8702 2.8702 5.1578 5.1578 6.0777 6.0777 6.2717 6.2717 7.0997 7.0997 7.6007 7.6007 8.8165 8.8165 9.0475 9.0475 9.7193 9.7193 10.2048 10.2157 k = 0.0797 0.1381-0.0000 ( 5083 PWs) bands (ev): -34.0224 -34.0224 -15.2842 -15.2842 -14.9171 -14.9171 -14.8939 -14.8939 -2.7289 -2.7289 -2.4194 -2.4194 -1.7717 -1.7717 -1.7461 -1.7461 -1.7131 -1.7131 -1.4496 -1.4496 -1.0944 -1.0944 -1.0765 -1.0765 -0.9886 -0.9886 -0.9013 -0.9013 -0.8644 -0.8644 -0.4842 -0.4842 2.8388 2.8388 5.2821 5.2821 6.1546 6.1546 6.3748 6.3748 7.1756 7.1756 7.6512 7.6512 8.7157 8.7157 9.0285 9.0285 9.6992 9.6992 10.1841 10.1841 k = 0.0725 0.1255-0.0000 ( 5079 PWs) bands (ev): -34.0225 -34.0225 -15.2840 -15.2840 -14.9170 -14.9170 -14.8935 -14.8935 -2.7421 -2.7421 -2.4211 -2.4211 -1.7737 -1.7737 -1.7512 -1.7512 -1.7146 -1.7146 -1.4534 -1.4534 -1.0969 -1.0969 -1.0756 -1.0756 -0.9877 -0.9877 -0.9011 -0.9011 -0.8640 -0.8640 -0.4977 -0.4977 2.8098 2.8098 5.4063 5.4063 6.2129 6.2129 6.4925 6.4925 7.2501 7.2501 7.6981 7.6981 8.6149 8.6149 9.0058 9.0058 9.6796 9.6796 10.1558 10.1558 k = 0.0652 0.1130-0.0000 ( 5085 PWs) bands (ev): -34.0225 -34.0225 -15.2839 -15.2839 -14.9170 -14.9170 -14.8932 -14.8932 -2.7544 -2.7544 -2.4228 -2.4228 -1.7756 -1.7756 -1.7563 -1.7563 -1.7156 -1.7156 -1.4568 -1.4568 -1.0992 -1.0992 -1.0745 -1.0745 -0.9870 -0.9870 -0.9016 -0.9016 -0.8632 -0.8632 -0.5101 -0.5101 2.7833 2.7833 5.5292 5.5292 6.2596 6.2596 6.6166 6.6166 7.3230 7.3230 7.7404 7.7404 8.5164 8.5164 8.9782 8.9782 9.6604 9.6604 10.1170 10.1170 k = 0.0580 0.1004-0.0000 ( 5099 PWs) bands (ev): -34.0225 -34.0225 -15.2837 -15.2837 -14.9169 -14.9169 -14.8928 -14.8928 -2.7658 -2.7658 -2.4244 -2.4244 -1.7774 -1.7774 -1.7609 -1.7609 -1.7162 -1.7162 -1.4600 -1.4600 -1.1013 -1.1013 -1.0732 -1.0732 -0.9865 -0.9865 -0.9027 -0.9027 -0.8622 -0.8622 -0.5213 -0.5213 2.7594 2.7594 5.6498 5.6498 6.2996 6.2996 6.7408 6.7408 7.3941 7.3941 7.7763 7.7763 8.4235 8.4235 8.9444 8.9444 9.6413 9.6413 10.0682 10.0682 k = 0.0507 0.0879-0.0000 ( 5099 PWs) bands (ev): -34.0225 -34.0225 -15.2836 -15.2836 -14.9169 -14.9169 -14.8925 -14.8925 -2.7760 -2.7760 -2.4259 -2.4259 -1.7790 -1.7790 -1.7650 -1.7650 -1.7165 -1.7165 -1.4627 -1.4627 -1.1030 -1.1030 -1.0718 -1.0718 -0.9859 -0.9859 -0.9040 -0.9040 -0.8609 -0.8609 -0.5311 -0.5311 2.7381 2.7381 5.7663 5.7663 6.3357 6.3357 6.8604 6.8604 7.4638 7.4638 7.8032 7.8032 8.3409 8.3409 8.9032 8.9032 9.6220 9.6220 10.0124 10.0124 k = 0.0435 0.0753-0.0000 ( 5087 PWs) bands (ev): -34.0226 -34.0226 -15.2835 -15.2835 -14.9168 -14.9168 -14.8922 -14.8922 -2.7850 -2.7850 -2.4272 -2.4272 -1.7804 -1.7804 -1.7685 -1.7685 -1.7165 -1.7165 -1.4650 -1.4650 -1.1045 -1.1045 -1.0702 -1.0702 -0.9854 -0.9854 -0.9055 -0.9055 -0.8596 -0.8596 -0.5396 -0.5396 2.7196 2.7196 5.8761 5.8761 6.3700 6.3700 6.9701 6.9701 7.5327 7.5327 7.8176 7.8176 8.2748 8.2748 8.8531 8.8531 9.6020 9.6020 9.9531 9.9532 k = 0.0362 0.0628-0.0000 ( 5091 PWs) bands (ev): -34.0226 -34.0226 -15.2834 -15.2834 -14.9168 -14.9168 -14.8920 -14.8920 -2.7928 -2.7928 -2.4283 -2.4283 -1.7816 -1.7816 -1.7715 -1.7715 -1.7166 -1.7166 -1.4670 -1.4670 -1.1057 -1.1057 -1.0687 -1.0687 -0.9851 -0.9851 -0.9072 -0.9072 -0.8583 -0.8583 -0.5469 -0.5469 2.7038 2.7038 5.9759 5.9759 6.4047 6.4047 7.0642 7.0642 7.5998 7.5998 7.8188 7.8188 8.2314 8.2314 8.7932 8.7932 9.5810 9.5810 9.8871 9.8871 k = 0.0290 0.0502-0.0000 ( 5093 PWs) bands (ev): -34.0226 -34.0226 -15.2833 -15.2833 -14.9168 -14.9168 -14.8918 -14.8918 -2.7992 -2.7992 -2.4293 -2.4293 -1.7826 -1.7826 -1.7740 -1.7740 -1.7166 -1.7166 -1.4687 -1.4687 -1.1067 -1.1067 -1.0674 -1.0674 -0.9848 -0.9848 -0.9087 -0.9087 -0.8573 -0.8573 -0.5529 -0.5529 2.6909 2.6909 6.0614 6.0614 6.4417 6.4417 7.1366 7.1366 7.6576 7.6576 7.8181 7.8181 8.2116 8.2116 8.7237 8.7237 9.5590 9.5590 9.8200 9.8200 k = 0.0217 0.0377-0.0000 ( 5101 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8916 -14.8916 -2.8043 -2.8043 -2.4301 -2.4301 -1.7834 -1.7834 -1.7760 -1.7760 -1.7166 -1.7166 -1.4700 -1.4700 -1.1075 -1.1075 -1.0662 -1.0662 -0.9847 -0.9847 -0.9100 -0.9100 -0.8565 -0.8565 -0.5575 -0.5575 2.6808 2.6808 6.1283 6.1283 6.4814 6.4814 7.1833 7.1833 7.6842 7.6842 7.8457 7.8457 8.2096 8.2096 8.6469 8.6469 9.5375 9.5375 9.7677 9.7677 k = 0.0145 0.0251-0.0000 ( 5113 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8079 -2.8079 -2.4307 -2.4307 -1.7840 -1.7840 -1.7775 -1.7775 -1.7166 -1.7166 -1.4710 -1.4710 -1.1080 -1.1080 -1.0654 -1.0654 -0.9847 -0.9847 -0.9110 -0.9110 -0.8559 -0.8559 -0.5609 -0.5609 2.6735 2.6735 6.1745 6.1745 6.5202 6.5202 7.2060 7.2060 7.6807 7.6807 7.9044 7.9044 8.2176 8.2176 8.5691 8.5691 9.5188 9.5188 9.7317 9.7317 k = 0.0072 0.0126-0.0000 ( 5121 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8101 -2.8101 -2.4310 -2.4310 -1.7844 -1.7844 -1.7783 -1.7783 -1.7166 -1.7166 -1.4716 -1.4716 -1.1084 -1.1084 -1.0648 -1.0648 -0.9847 -0.9847 -0.9117 -0.9117 -0.8556 -0.8556 -0.5629 -0.5629 2.6692 2.6692 6.2007 6.2007 6.5500 6.5500 7.2123 7.2123 7.6723 7.6723 7.9603 7.9603 8.2289 8.2289 8.5039 8.5039 9.5062 9.5062 9.7107 9.7107 k = 0.0000 0.0000 0.0000 ( 5119 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8109 -2.8109 -2.4311 -2.4311 -1.7844 -1.7844 -1.7786 -1.7786 -1.7166 -1.7166 -1.4718 -1.4718 -1.1084 -1.1084 -1.0646 -1.0646 -0.9847 -0.9847 -0.9119 -0.9119 -0.8555 -0.8555 -0.5636 -0.5636 2.6677 2.6677 6.2092 6.2092 6.5613 6.5613 7.2128 7.2128 7.6690 7.6690 7.9835 7.9835 8.2352 8.2352 8.4763 8.4763 9.5017 9.5017 9.7037 9.7038 k = 0.0000 0.0000 0.0000 ( 5119 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8109 -2.8109 -2.4311 -2.4311 -1.7844 -1.7844 -1.7786 -1.7786 -1.7166 -1.7166 -1.4718 -1.4718 -1.1084 -1.1084 -1.0646 -1.0646 -0.9847 -0.9847 -0.9119 -0.9119 -0.8555 -0.8555 -0.5636 -0.5636 2.6677 2.6677 6.2092 6.2092 6.5613 6.5613 7.2128 7.2128 7.6690 7.6690 7.9835 7.9835 8.2352 8.2352 8.4763 8.4763 9.5017 9.5017 9.7037 9.7038 k = 0.0000 0.0000 0.0146 ( 5125 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8101 -2.8101 -2.4313 -2.4313 -1.7845 -1.7845 -1.7786 -1.7786 -1.7166 -1.7166 -1.4721 -1.4721 -1.1085 -1.1085 -1.0646 -1.0646 -0.9850 -0.9850 -0.9119 -0.9119 -0.8555 -0.8555 -0.5655 -0.5655 2.6728 2.6728 6.2104 6.2104 6.5626 6.5626 7.2044 7.2044 7.6642 7.6642 7.9801 7.9801 8.1988 8.1988 8.5211 8.5211 9.5043 9.5043 9.7053 9.7053 k = 0.0000 0.0000 0.0291 ( 5119 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9168 -14.9168 -14.8915 -14.8915 -2.8077 -2.8077 -2.4316 -2.4316 -1.7845 -1.7845 -1.7787 -1.7787 -1.7165 -1.7165 -1.4728 -1.4728 -1.1085 -1.1085 -1.0646 -1.0646 -0.9862 -0.9862 -0.9117 -0.9117 -0.8555 -0.8555 -0.5710 -0.5710 2.6880 2.6880 6.2139 6.2139 6.5665 6.5665 7.1790 7.1790 7.6494 7.6494 7.9701 7.9701 8.1311 8.1311 8.6143 8.6143 9.5127 9.5127 9.7098 9.7098 k = 0.0000 0.0000 0.0437 ( 5101 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8915 -14.8915 -2.8038 -2.8038 -2.4323 -2.4323 -1.7845 -1.7845 -1.7786 -1.7786 -1.7164 -1.7164 -1.4740 -1.4740 -1.1084 -1.1084 -1.0645 -1.0645 -0.9880 -0.9880 -0.9114 -0.9114 -0.8554 -0.8554 -0.5801 -0.5801 2.7130 2.7130 6.2198 6.2198 6.5729 6.5729 7.1363 7.1363 7.6243 7.6243 7.9537 7.9537 8.0675 8.0675 8.7200 8.7200 9.5281 9.5281 9.7169 9.7169 k = 0.0000 0.0000 0.0583 ( 5113 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9167 -14.9167 -14.8915 -14.8915 -2.7984 -2.7984 -2.4333 -2.4333 -1.7845 -1.7845 -1.7787 -1.7787 -1.7165 -1.7165 -1.4758 -1.4758 -1.1084 -1.1084 -1.0644 -1.0644 -0.9907 -0.9907 -0.9112 -0.9112 -0.8555 -0.8555 -0.5924 -0.5924 2.7475 2.7475 6.2280 6.2280 6.5819 6.5819 7.0761 7.0761 7.5893 7.5893 7.9313 7.9313 8.0182 8.0182 8.8250 8.8250 9.5530 9.5530 9.7262 9.7262 k = 0.0000 0.0000 0.0729 ( 5083 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7915 -2.7915 -2.4346 -2.4346 -1.7844 -1.7844 -1.7785 -1.7785 -1.7163 -1.7163 -1.4780 -1.4780 -1.1082 -1.1082 -1.0642 -1.0642 -0.9939 -0.9939 -0.9108 -0.9108 -0.8553 -0.8553 -0.6072 -0.6072 2.7910 2.7910 6.2383 6.2383 6.5935 6.5935 6.9996 6.9996 7.5468 7.5468 7.9035 7.9035 7.9845 7.9845 8.9216 8.9216 9.5911 9.5911 9.7371 9.7371 k = 0.0000 0.0000 0.0874 ( 5083 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7832 -2.7832 -2.4364 -2.4364 -1.7843 -1.7843 -1.7786 -1.7786 -1.7161 -1.7161 -1.4809 -1.4809 -1.1081 -1.1081 -1.0640 -1.0640 -0.9983 -0.9983 -0.9102 -0.9102 -0.8556 -0.8556 -0.6242 -0.6242 2.8429 2.8429 6.2505 6.2505 6.6075 6.6075 6.9087 6.9087 7.5000 7.5000 7.8709 7.8709 7.9636 7.9636 9.0034 9.0034 9.6463 9.6463 9.7486 9.7486 k = 0.0000 0.0000 0.1020 ( 5089 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7737 -2.7737 -2.4384 -2.4384 -1.7842 -1.7842 -1.7788 -1.7788 -1.7159 -1.7159 -1.4845 -1.4845 -1.1080 -1.1080 -1.0639 -1.0639 -1.0035 -1.0035 -0.9095 -0.9095 -0.8559 -0.8559 -0.6425 -0.6425 2.9024 2.9024 6.2644 6.2644 6.6239 6.6239 6.8069 6.8069 7.4512 7.4512 7.8341 7.8341 7.9522 7.9522 9.0664 9.0664 9.7207 9.7207 9.7605 9.7605 k = 0.0000 0.0000 0.1166 ( 5089 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7629 -2.7629 -2.4409 -2.4409 -1.7842 -1.7842 -1.7789 -1.7789 -1.7157 -1.7157 -1.4885 -1.4885 -1.1078 -1.1078 -1.0637 -1.0637 -1.0095 -1.0095 -0.9089 -0.9089 -0.8561 -0.8561 -0.6616 -0.6616 2.9689 2.9689 6.2789 6.2789 6.6427 6.6427 6.6979 6.6979 7.4016 7.4016 7.7938 7.7938 7.9473 7.9473 9.1104 9.1104 9.7696 9.7696 9.8154 9.8154 k = 0.0000 0.0000 0.1311 ( 5101 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7510 -2.7510 -2.4437 -2.4437 -1.7842 -1.7842 -1.7791 -1.7791 -1.7156 -1.7156 -1.4931 -1.4931 -1.1078 -1.1078 -1.0635 -1.0635 -1.0165 -1.0165 -0.9084 -0.9084 -0.8563 -0.8563 -0.6808 -0.6808 3.0414 3.0414 6.2916 6.2916 6.5870 6.5870 6.6638 6.6638 7.3517 7.3517 7.7507 7.7507 7.9469 7.9469 9.1382 9.1382 9.7791 9.7791 9.8278 9.8278 k = 0.0000 0.0000 0.1457 ( 5101 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7382 -2.7382 -2.4470 -2.4470 -1.7841 -1.7841 -1.7793 -1.7793 -1.7153 -1.7153 -1.4981 -1.4981 -1.1076 -1.1076 -1.0633 -1.0633 -1.0241 -1.0241 -0.9077 -0.9077 -0.8566 -0.8566 -0.6995 -0.6995 3.1190 3.1190 6.2938 6.2938 6.4855 6.4855 6.6872 6.6872 7.3016 7.3016 7.7053 7.7053 7.9496 7.9496 9.1539 9.1539 9.7862 9.7862 9.8314 9.8314 k = 0.0000 0.0000 0.1603 ( 5101 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7246 -2.7246 -2.4508 -2.4508 -1.7840 -1.7840 -1.7795 -1.7795 -1.7151 -1.7151 -1.5035 -1.5035 -1.1075 -1.1075 -1.0631 -1.0631 -1.0324 -1.0324 -0.9070 -0.9070 -0.8568 -0.8568 -0.7172 -0.7172 3.2008 3.2008 6.2552 6.2552 6.4253 6.4253 6.7126 6.7126 7.2514 7.2514 7.6583 7.6583 7.9545 7.9545 9.1610 9.1610 9.7913 9.7913 9.8329 9.8329 k = 0.0000 0.0000 0.1748 ( 5089 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.7105 -2.7105 -2.4551 -2.4551 -1.7838 -1.7838 -1.7795 -1.7795 -1.7147 -1.7147 -1.5093 -1.5093 -1.1072 -1.1072 -1.0629 -1.0629 -1.0411 -1.0411 -0.9063 -0.9063 -0.8570 -0.8570 -0.7335 -0.7335 3.2856 3.2856 6.1632 6.1632 6.4209 6.4209 6.7401 6.7401 7.2012 7.2012 7.6102 7.6102 7.9608 7.9608 9.1622 9.1622 9.7944 9.7944 9.8327 9.8327 k = 0.0000 0.0000 0.1894 ( 5083 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6959 -2.6959 -2.4599 -2.4599 -1.7837 -1.7837 -1.7797 -1.7797 -1.7144 -1.7144 -1.5153 -1.5153 -1.1070 -1.1070 -1.0626 -1.0626 -1.0501 -1.0501 -0.9056 -0.9056 -0.8571 -0.8571 -0.7481 -0.7481 3.3721 3.3721 6.0525 6.0525 6.4392 6.4392 6.7692 6.7692 7.1512 7.1512 7.5616 7.5616 7.9679 7.9679 9.1595 9.1595 9.7957 9.7957 9.8311 9.8311 k = 0.0000 0.0000 0.2040 ( 5077 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6812 -2.6812 -2.4653 -2.4653 -1.7835 -1.7835 -1.7798 -1.7798 -1.7140 -1.7140 -1.5214 -1.5214 -1.1068 -1.1068 -1.0622 -1.0622 -1.0591 -1.0591 -0.9050 -0.9050 -0.8573 -0.8573 -0.7610 -0.7610 3.4588 3.4588 5.9395 5.9395 6.4653 6.4653 6.7999 6.7999 7.1015 7.1015 7.5131 7.5131 7.9754 7.9754 9.1542 9.1542 9.7957 9.7957 9.8285 9.8285 k = 0.0000 0.0000 0.2186 ( 5077 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6667 -2.6667 -2.4710 -2.4710 -1.7834 -1.7834 -1.7800 -1.7800 -1.7137 -1.7137 -1.5273 -1.5273 -1.1067 -1.1067 -1.0676 -1.0676 -1.0621 -1.0621 -0.9044 -0.9044 -0.8575 -0.8575 -0.7720 -0.7720 3.5439 3.5439 5.8300 5.8300 6.4952 6.4952 6.8317 6.8317 7.0524 7.0524 7.4654 7.4654 7.9829 7.9829 9.1475 9.1475 9.7946 9.7946 9.8253 9.8253 k = 0.0000 0.0000 0.2331 ( 5077 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6528 -2.6528 -2.4771 -2.4771 -1.7833 -1.7833 -1.7801 -1.7801 -1.7134 -1.7134 -1.5330 -1.5330 -1.1065 -1.1065 -1.0755 -1.0755 -1.0619 -1.0619 -0.9039 -0.9039 -0.8576 -0.8576 -0.7811 -0.7811 3.6251 3.6251 5.7275 5.7275 6.5275 6.5275 6.8640 6.8640 7.0044 7.0044 7.4192 7.4192 7.9900 7.9900 9.1403 9.1403 9.7930 9.7930 9.8220 9.8220 k = 0.0000 0.0000 0.2477 ( 5059 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6398 -2.6398 -2.4832 -2.4832 -1.7832 -1.7832 -1.7802 -1.7802 -1.7130 -1.7130 -1.5379 -1.5379 -1.1062 -1.1062 -1.0824 -1.0824 -1.0617 -1.0617 -0.9034 -0.9034 -0.8576 -0.8576 -0.7883 -0.7883 3.6994 3.6994 5.6355 5.6355 6.5611 6.5611 6.8960 6.8960 6.9581 6.9581 7.3756 7.3756 7.9963 7.9963 9.1334 9.1334 9.7913 9.7913 9.8188 9.8188 k = 0.0000 0.0000 0.2623 ( 5035 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8913 -14.8913 -2.6283 -2.6283 -2.4891 -2.4891 -1.7830 -1.7830 -1.7802 -1.7802 -1.7126 -1.7126 -1.5420 -1.5420 -1.1059 -1.1059 -1.0880 -1.0880 -1.0615 -1.0615 -0.9029 -0.9029 -0.8575 -0.8575 -0.7937 -0.7937 3.7636 3.7636 5.5574 5.5574 6.5950 6.5950 6.9144 6.9144 6.9263 6.9263 7.3361 7.3361 8.0016 8.0016 9.1274 9.1274 9.7896 9.7896 9.8162 9.8162 k = 0.0000 0.0000 0.2768 ( 5035 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8913 -14.8913 -2.6191 -2.6191 -2.4941 -2.4941 -1.7829 -1.7829 -1.7803 -1.7803 -1.7124 -1.7124 -1.5452 -1.5452 -1.1057 -1.1057 -1.0924 -1.0924 -1.0614 -1.0614 -0.9026 -0.9026 -0.8576 -0.8576 -0.7976 -0.7976 3.8137 3.8137 5.4973 5.4973 6.6269 6.6269 6.8755 6.8755 6.9525 6.9525 7.3033 7.3033 8.0055 8.0055 9.1227 9.1227 9.7882 9.7882 9.8141 9.8141 k = 0.0000 0.0000 0.2914 ( 5041 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8913 -14.8913 -2.6131 -2.6131 -2.4977 -2.4977 -1.7829 -1.7829 -1.7804 -1.7804 -1.7123 -1.7123 -1.5473 -1.5473 -1.1054 -1.1054 -1.0952 -1.0952 -1.0614 -1.0614 -0.9025 -0.9025 -0.8577 -0.8577 -0.8000 -0.8000 3.8458 3.8458 5.4592 5.4592 6.6524 6.6524 6.8458 6.8458 6.9711 6.9711 7.2807 7.2807 8.0080 8.0080 9.1198 9.1198 9.7873 9.7873 9.8127 9.8127 k = 0.0000 0.0000 0.3060 ( 5046 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8913 -14.8913 -2.6110 -2.6110 -2.4989 -2.4989 -1.7829 -1.7829 -1.7805 -1.7805 -1.7123 -1.7123 -1.5480 -1.5480 -1.1053 -1.1053 -1.0962 -1.0962 -1.0614 -1.0614 -0.9024 -0.9024 -0.8577 -0.8577 -0.8008 -0.8008 3.8569 3.8569 5.4461 5.4461 6.6629 6.6629 6.8339 6.8339 6.9780 6.9780 7.2725 7.2725 8.0088 8.0088 9.1188 9.1188 9.7870 9.7870 9.8123 9.8123 k = 0.0000 0.0000 0.3060 ( 5046 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8913 -14.8913 -2.6110 -2.6110 -2.4989 -2.4989 -1.7829 -1.7829 -1.7805 -1.7805 -1.7123 -1.7123 -1.5480 -1.5480 -1.1053 -1.1053 -1.0962 -1.0962 -1.0614 -1.0614 -0.9024 -0.9024 -0.8577 -0.8577 -0.8008 -0.8008 3.8569 3.8569 5.4461 5.4461 6.6629 6.6629 6.8339 6.8339 6.9780 6.9780 7.2725 7.2725 8.0088 8.0088 9.1188 9.1188 9.7870 9.7870 9.8123 9.8123 k = 0.0125 0.0072 0.3060 ( 5044 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8914 -14.8914 -2.6106 -2.6106 -2.4986 -2.4986 -1.7828 -1.7828 -1.7800 -1.7800 -1.7124 -1.7124 -1.5476 -1.5476 -1.1054 -1.1054 -1.0962 -1.0962 -1.0608 -1.0608 -0.9023 -0.9023 -0.8578 -0.8578 -0.8005 -0.8005 3.8568 3.8568 5.4467 5.4467 6.6592 6.6592 6.8193 6.8193 6.9759 6.9759 7.2534 7.2534 8.0355 8.0355 9.1231 9.1231 9.7918 9.7918 9.8162 9.8162 k = 0.0250 0.0144 0.3060 ( 5044 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6095 -2.6095 -2.4974 -2.4974 -1.7825 -1.7825 -1.7788 -1.7788 -1.7126 -1.7126 -1.5465 -1.5465 -1.1058 -1.1058 -1.0964 -1.0964 -1.0590 -1.0590 -0.9018 -0.9018 -0.8582 -0.8582 -0.7997 -0.7997 3.8563 3.8563 5.4483 5.4483 6.6478 6.6478 6.7766 6.7766 6.9684 6.9684 7.2062 7.2062 8.1061 8.1061 9.1359 9.1359 9.8060 9.8060 9.8280 9.8280 k = 0.0375 0.0217 0.3060 ( 5050 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8915 -14.8915 -2.6077 -2.6077 -2.4956 -2.4956 -1.7820 -1.7820 -1.7768 -1.7768 -1.7129 -1.7129 -1.5448 -1.5448 -1.1064 -1.1064 -1.0966 -1.0966 -1.0562 -1.0562 -0.9011 -0.9011 -0.8590 -0.8590 -0.7985 -0.7985 3.8554 3.8554 5.4508 5.4508 6.6272 6.6272 6.7089 6.7089 6.9530 6.9530 7.1499 7.1499 8.2029 8.2029 9.1571 9.1571 9.8293 9.8293 9.8473 9.8473 k = 0.0500 0.0289 0.3060 ( 5052 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9167 -14.9167 -14.8917 -14.8917 -2.6052 -2.6052 -2.4930 -2.4930 -1.7813 -1.7813 -1.7739 -1.7739 -1.7133 -1.7133 -1.5423 -1.5423 -1.1071 -1.1071 -1.0965 -1.0965 -1.0527 -1.0527 -0.9001 -0.9001 -0.8599 -0.8599 -0.7966 -0.7966 3.8541 3.8541 5.4539 5.4539 6.5852 6.5852 6.6317 6.6317 6.9278 6.9278 7.0982 7.0982 8.3113 8.3113 9.1865 9.1865 9.8610 9.8610 9.8740 9.8740 k = 0.0625 0.0361 0.3060 ( 5048 PWs) bands (ev): -34.0226 -34.0226 -15.2833 -15.2833 -14.9167 -14.9167 -14.8919 -14.8919 -2.6021 -2.6021 -2.4898 -2.4898 -1.7804 -1.7804 -1.7702 -1.7702 -1.7138 -1.7138 -1.5392 -1.5392 -1.1077 -1.1077 -1.0962 -1.0962 -1.0487 -1.0487 -0.8988 -0.8988 -0.8610 -0.8610 -0.7939 -0.7939 3.8522 3.8522 5.4571 5.4571 6.4895 6.4895 6.5829 6.5829 6.8925 6.8925 7.0559 7.0559 8.4214 8.4214 9.2241 9.2241 9.8994 9.8994 9.9080 9.9080 k = 0.0750 0.0433 0.3060 ( 5048 PWs) bands (ev): -34.0225 -34.0225 -15.2834 -15.2834 -14.9168 -14.9168 -14.8921 -14.8921 -2.5983 -2.5983 -2.4859 -2.4859 -1.7792 -1.7792 -1.7658 -1.7658 -1.7143 -1.7143 -1.5355 -1.5355 -1.1083 -1.1083 -1.0955 -1.0955 -1.0444 -1.0444 -0.8972 -0.8972 -0.8624 -0.8624 -0.7905 -0.7905 3.8497 3.8497 5.4596 5.4596 6.3695 6.3695 6.5397 6.5397 6.8491 6.8491 7.0220 7.0220 8.5262 8.5262 9.2704 9.2704 9.9406 9.9406 9.9501 9.9501 k = 0.0875 0.0505 0.3060 ( 5048 PWs) bands (ev): -34.0225 -34.0225 -15.2835 -15.2835 -14.9168 -14.9168 -14.8924 -14.8924 -2.5938 -2.5938 -2.4815 -2.4815 -1.7779 -1.7779 -1.7606 -1.7606 -1.7147 -1.7147 -1.5311 -1.5311 -1.1086 -1.1086 -1.0947 -1.0947 -1.0401 -1.0401 -0.8956 -0.8956 -0.8638 -0.8638 -0.7862 -0.7862 3.8463 3.8463 5.4600 5.4600 6.2425 6.2425 6.4912 6.4912 6.8004 6.8004 6.9935 6.9935 8.6203 8.6203 9.3257 9.3257 9.9818 9.9818 9.9979 9.9979 k = 0.1000 0.0577 0.3060 ( 5056 PWs) bands (ev): -34.0225 -34.0225 -15.2837 -15.2837 -14.9169 -14.9169 -14.8927 -14.8927 -2.5889 -2.5889 -2.4767 -2.4767 -1.7765 -1.7765 -1.7548 -1.7548 -1.7150 -1.7150 -1.5262 -1.5262 -1.1085 -1.1085 -1.0937 -1.0937 -1.0358 -1.0358 -0.8940 -0.8940 -0.8653 -0.8653 -0.7809 -0.7809 3.8418 3.8418 5.4555 5.4555 6.1157 6.1157 6.4369 6.4369 6.7487 6.7487 6.9680 6.9680 8.7003 8.7003 9.3887 9.3887 10.0136 10.0136 10.0468 10.0468 k = 0.1125 0.0650 0.3060 ( 5064 PWs) bands (ev): -34.0225 -34.0225 -15.2838 -15.2838 -14.9169 -14.9169 -14.8931 -14.8931 -2.5834 -2.5834 -2.4714 -2.4714 -1.7749 -1.7749 -1.7484 -1.7484 -1.7150 -1.7150 -1.5207 -1.5207 -1.1080 -1.1080 -1.0923 -1.0923 -1.0317 -1.0317 -0.8926 -0.8926 -0.8665 -0.8665 -0.7744 -0.7744 3.8360 3.8360 5.4416 5.4416 5.9964 5.9964 6.3777 6.3777 6.6951 6.6951 6.9441 6.9441 8.7647 8.7647 9.4556 9.4556 10.0052 10.0052 10.0973 10.0973 k = 0.1250 0.0722 0.3060 ( 5072 PWs) bands (ev): -34.0225 -34.0225 -15.2840 -15.2840 -14.9170 -14.9170 -14.8935 -14.8935 -2.5774 -2.5774 -2.4658 -2.4658 -1.7732 -1.7732 -1.7419 -1.7419 -1.7143 -1.7143 -1.5147 -1.5147 -1.1070 -1.1070 -1.0908 -1.0908 -1.0279 -1.0279 -0.8918 -0.8918 -0.8672 -0.8672 -0.7666 -0.7666 3.8286 3.8286 5.4105 5.4105 5.8937 5.8937 6.3148 6.3148 6.6403 6.6403 6.9211 6.9211 8.8143 8.8143 9.5182 9.5182 9.9527 9.9527 10.1508 10.1508 k = 0.1375 0.0794 0.3060 ( 5070 PWs) bands (ev): -34.0224 -34.0224 -15.2842 -15.2842 -14.9171 -14.9171 -14.8939 -14.8939 -2.5710 -2.5710 -2.4599 -2.4599 -1.7712 -1.7712 -1.7358 -1.7358 -1.7122 -1.7122 -1.5081 -1.5081 -1.1055 -1.1055 -1.0889 -1.0889 -1.0244 -1.0244 -0.8918 -0.8918 -0.8670 -0.8670 -0.7573 -0.7573 3.8195 3.8195 5.3529 5.3529 5.8178 5.8178 6.2498 6.2498 6.5846 6.5846 6.8987 6.8987 8.8512 8.8512 9.5618 9.5618 9.8974 9.8974 10.2067 10.2067 k = 0.1500 0.0866 0.3060 ( 5082 PWs) bands (ev): -34.0224 -34.0224 -15.2844 -15.2844 -14.9172 -14.9172 -14.8944 -14.8944 -2.5642 -2.5642 -2.4539 -2.4539 -1.7693 -1.7693 -1.7312 -1.7312 -1.7078 -1.7078 -1.5011 -1.5011 -1.1037 -1.1037 -1.0866 -1.0866 -1.0213 -1.0213 -0.8929 -0.8929 -0.8659 -0.8659 -0.7464 -0.7464 3.8081 3.8081 5.2654 5.2654 5.7725 5.7725 6.1843 6.1843 6.5284 6.5284 6.8767 6.8767 8.8778 8.8778 9.5662 9.5662 9.8683 9.8683 10.2644 10.2644 k = 0.1625 0.0938 0.3060 ( 5090 PWs) bands (ev): -34.0224 -34.0224 -15.2846 -15.2846 -14.9173 -14.9173 -14.8948 -14.8948 -2.5571 -2.5571 -2.4479 -2.4479 -1.7671 -1.7671 -1.7286 -1.7286 -1.7007 -1.7007 -1.4936 -1.4936 -1.1014 -1.1014 -1.0837 -1.0837 -1.0187 -1.0187 -0.8950 -0.8950 -0.8639 -0.8639 -0.7339 -0.7339 3.7943 3.7943 5.1546 5.1546 5.7511 5.7511 6.1201 6.1201 6.4719 6.4719 6.8550 6.8550 8.8963 8.8963 9.5272 9.5272 9.8695 9.8695 10.3233 10.3234 k = 0.1750 0.1010 0.3060 ( 5092 PWs) bands (ev): -34.0224 -34.0224 -15.2849 -15.2849 -14.9174 -14.9174 -14.8953 -14.8953 -2.5497 -2.5497 -2.4418 -2.4418 -1.7649 -1.7649 -1.7273 -1.7273 -1.6914 -1.6914 -1.4857 -1.4857 -1.0988 -1.0988 -1.0801 -1.0801 -1.0164 -1.0164 -0.8977 -0.8977 -0.8613 -0.8613 -0.7197 -0.7197 3.7777 3.7777 5.0300 5.0300 5.7436 5.7436 6.0593 6.0593 6.4153 6.4153 6.8335 6.8335 8.9085 8.9085 9.4636 9.4636 9.8811 9.8811 10.3829 10.3829 k = 0.1875 0.1083 0.3060 ( 5094 PWs) bands (ev): -34.0223 -34.0223 -15.2851 -15.2851 -14.9175 -14.9175 -14.8958 -14.8958 -2.5422 -2.5422 -2.4358 -2.4358 -1.7626 -1.7626 -1.7267 -1.7267 -1.6808 -1.6808 -1.4773 -1.4773 -1.0963 -1.0963 -1.0755 -1.0755 -1.0146 -1.0146 -0.9009 -0.9009 -0.8581 -0.8581 -0.7039 -0.7039 3.7579 3.7579 4.8982 4.8982 5.7415 5.7415 6.0048 6.0048 6.3591 6.3591 6.8123 6.8123 8.9159 8.9159 9.3913 9.3913 9.8881 9.8881 10.4418 10.4418 k = 0.2000 0.1155 0.3060 ( 5098 PWs) bands (ev): -34.0223 -34.0223 -15.2853 -15.2853 -14.9176 -14.9176 -14.8963 -14.8963 -2.5345 -2.5345 -2.4300 -2.4300 -1.7602 -1.7602 -1.7264 -1.7264 -1.6694 -1.6694 -1.4686 -1.4686 -1.0938 -1.0938 -1.0698 -1.0698 -1.0132 -1.0132 -0.9044 -0.9044 -0.8546 -0.8546 -0.6864 -0.6864 3.7347 3.7347 4.7633 4.7633 5.7374 5.7374 5.9611 5.9611 6.3034 6.3034 6.7913 6.7913 8.9193 8.9193 9.3178 9.3178 9.8856 9.8856 10.4985 10.4985 k = 0.2125 0.1227 0.3060 ( 5080 PWs) bands (ev): -34.0222 -34.0222 -15.2855 -15.2855 -14.9177 -14.9177 -14.8967 -14.8967 -2.5268 -2.5268 -2.4244 -2.4244 -1.7578 -1.7578 -1.7261 -1.7261 -1.6573 -1.6573 -1.4594 -1.4594 -1.0915 -1.0915 -1.0629 -1.0629 -1.0120 -1.0120 -0.9079 -0.9079 -0.8504 -0.8504 -0.6673 -0.6673 3.7078 3.7078 4.6276 4.6276 5.7245 5.7245 5.9333 5.9333 6.2488 6.2488 6.7705 6.7705 8.9197 8.9197 9.2464 9.2464 9.8735 9.8735 10.5500 10.5502 k = 0.2250 0.1299 0.3060 ( 5084 PWs) bands (ev): -34.0222 -34.0222 -15.2858 -15.2858 -14.9178 -14.9178 -14.8972 -14.8972 -2.5190 -2.5190 -2.4190 -2.4190 -1.7554 -1.7554 -1.7260 -1.7260 -1.6451 -1.6451 -1.4500 -1.4500 -1.0894 -1.0894 -1.0549 -1.0549 -1.0112 -1.0112 -0.9115 -0.9115 -0.8459 -0.8459 -0.6469 -0.6469 3.6771 3.6771 4.4924 4.4924 5.6997 5.6997 5.9236 5.9236 6.1957 6.1957 6.7502 6.7502 8.9175 8.9175 9.1787 9.1787 9.8530 9.8530 10.5517 10.5520 k = 0.2375 0.1371 0.3060 ( 5072 PWs) bands (ev): -34.0222 -34.0222 -15.2860 -15.2860 -14.9179 -14.9179 -14.8977 -14.8977 -2.5112 -2.5112 -2.4140 -2.4140 -1.7529 -1.7529 -1.7257 -1.7257 -1.6327 -1.6327 -1.4402 -1.4402 -1.0875 -1.0875 -1.0459 -1.0459 -1.0106 -1.0106 -0.9148 -0.9148 -0.8407 -0.8407 -0.6251 -0.6251 3.6423 3.6423 4.3589 4.3589 5.6662 5.6662 5.9279 5.9279 6.1449 6.1449 6.7304 6.7304 8.9132 8.9132 9.1158 9.1158 9.8253 9.8253 10.4760 10.4760 k = 0.2500 0.1443 0.3060 ( 5076 PWs) bands (ev): -34.0221 -34.0221 -15.2863 -15.2863 -14.9181 -14.9181 -14.8982 -14.8982 -2.5036 -2.5036 -2.4093 -2.4093 -1.7506 -1.7506 -1.7254 -1.7254 -1.6205 -1.6205 -1.4304 -1.4304 -1.0858 -1.0858 -1.0364 -1.0364 -1.0100 -1.0100 -0.9178 -0.9178 -0.8347 -0.8347 -0.6023 -0.6023 3.6035 3.6035 4.2277 4.2277 5.6292 5.6292 5.9390 5.9390 6.0982 6.0982 6.7112 6.7112 8.9070 8.9070 9.0583 9.0583 9.7916 9.7916 10.3870 10.3870 k = 0.2625 0.1516 0.3060 ( 5064 PWs) bands (ev): -34.0221 -34.0221 -15.2865 -15.2865 -14.9182 -14.9182 -14.8987 -14.8987 -2.4961 -2.4961 -2.4049 -2.4049 -1.7482 -1.7482 -1.7249 -1.7249 -1.6084 -1.6084 -1.4205 -1.4205 -1.0842 -1.0842 -1.0271 -1.0271 -1.0091 -1.0091 -0.9201 -0.9201 -0.8275 -0.8275 -0.5784 -0.5784 3.5608 3.5608 4.0995 4.0995 5.5925 5.5925 5.9483 5.9483 6.0604 6.0604 6.6928 6.6928 8.8989 8.8989 9.0068 9.0068 9.7525 9.7525 10.2976 10.2976 k = 0.2750 0.1588 0.3060 ( 5068 PWs) bands (ev): -34.0220 -34.0220 -15.2868 -15.2868 -14.9184 -14.9184 -14.8992 -14.8992 -2.4887 -2.4887 -2.4009 -2.4009 -1.7460 -1.7460 -1.7244 -1.7244 -1.5968 -1.5968 -1.4106 -1.4106 -1.0828 -1.0828 -1.0198 -1.0198 -1.0067 -1.0067 -0.9216 -0.9216 -0.8188 -0.8188 -0.5538 -0.5538 3.5144 3.5144 3.9746 3.9746 5.5577 5.5577 5.9417 5.9417 6.0436 6.0436 6.6753 6.6753 8.8885 8.8885 8.9622 8.9622 9.7084 9.7084 10.2109 10.2109 k = 0.2875 0.1660 0.3060 ( 5064 PWs) bands (ev): -34.0220 -34.0220 -15.2870 -15.2870 -14.9185 -14.9185 -14.8997 -14.8997 -2.4816 -2.4816 -2.3973 -2.3973 -1.7438 -1.7438 -1.7238 -1.7238 -1.5856 -1.5856 -1.4008 -1.4008 -1.0815 -1.0815 -1.0166 -1.0166 -1.0013 -1.0013 -0.9218 -0.9218 -0.8080 -0.8080 -0.5287 -0.5287 3.4644 3.4644 3.8536 3.8536 5.5260 5.5260 5.9136 5.9136 6.0520 6.0520 6.6590 6.6590 8.8746 8.8746 8.9260 8.9260 9.6596 9.6596 10.1282 10.1282 k = 0.3000 0.1732 0.3060 ( 5068 PWs) bands (ev): -34.0220 -34.0220 -15.2873 -15.2873 -14.9187 -14.9187 -14.9001 -14.9001 -2.4747 -2.4747 -2.3941 -2.3941 -1.7417 -1.7417 -1.7232 -1.7232 -1.5750 -1.5750 -1.3913 -1.3913 -1.0803 -1.0803 -1.0162 -1.0162 -0.9950 -0.9950 -0.9207 -0.9207 -0.7948 -0.7948 -0.5034 -0.5034 3.4113 3.4113 3.7371 3.7371 5.4974 5.4974 5.8765 5.8765 6.0726 6.0726 6.6441 6.6441 8.8559 8.8559 8.8999 8.8999 9.6063 9.6063 10.0504 10.0504 k = 0.3125 0.1804 0.3060 ( 5052 PWs) bands (ev): -34.0219 -34.0219 -15.2875 -15.2875 -14.9188 -14.9188 -14.9005 -14.9005 -2.4680 -2.4680 -2.3913 -2.3913 -1.7396 -1.7396 -1.7224 -1.7224 -1.5649 -1.5649 -1.3821 -1.3821 -1.0792 -1.0792 -1.0168 -1.0168 -0.9898 -0.9898 -0.9180 -0.9180 -0.7784 -0.7784 -0.4780 -0.4780 3.3555 3.3555 3.6255 3.6255 5.4722 5.4722 5.8379 5.8379 6.0973 6.0973 6.6309 6.6309 8.8344 8.8344 8.8819 8.8819 9.5491 9.5491 9.9781 9.9781 k = 0.3250 0.1876 0.3060 ( 5050 PWs) bands (ev): -34.0219 -34.0219 -15.2878 -15.2878 -14.9190 -14.9190 -14.9009 -14.9009 -2.4617 -2.4617 -2.3888 -2.3888 -1.7377 -1.7377 -1.7216 -1.7216 -1.5555 -1.5555 -1.3732 -1.3732 -1.0782 -1.0782 -1.0180 -1.0180 -0.9865 -0.9865 -0.9142 -0.9142 -0.7589 -0.7589 -0.4530 -0.4530 3.2974 3.2974 3.5193 3.5193 5.4501 5.4501 5.8001 5.8001 6.1231 6.1231 6.6196 6.6196 8.8142 8.8142 8.8679 8.8679 9.4886 9.4886 9.9112 9.9112 k = 0.3375 0.1949 0.3060 ( 5050 PWs) bands (ev): -34.0219 -34.0219 -15.2880 -15.2880 -14.9191 -14.9191 -14.9013 -14.9013 -2.4557 -2.4557 -2.3867 -2.3867 -1.7360 -1.7360 -1.7208 -1.7208 -1.5468 -1.5468 -1.3649 -1.3649 -1.0773 -1.0773 -1.0197 -1.0197 -0.9847 -0.9847 -0.9100 -0.9100 -0.7360 -0.7360 -0.4287 -0.4287 3.2374 3.2374 3.4192 3.4192 5.4308 5.4308 5.7643 5.7643 6.1485 6.1485 6.6106 6.6106 8.7979 8.7979 8.8552 8.8552 9.4261 9.4261 9.8495 9.8495 k = 0.3500 0.2021 0.3060 ( 5046 PWs) bands (ev): -34.0218 -34.0218 -15.2882 -15.2882 -14.9193 -14.9193 -14.9016 -14.9016 -2.4501 -2.4501 -2.3849 -2.3849 -1.7343 -1.7343 -1.7199 -1.7199 -1.5387 -1.5387 -1.3570 -1.3570 -1.0764 -1.0764 -1.0217 -1.0217 -0.9839 -0.9839 -0.9057 -0.9057 -0.7101 -0.7101 -0.4054 -0.4054 3.1759 3.1759 3.3259 3.3259 5.4140 5.4140 5.7307 5.7307 6.1728 6.1728 6.6041 6.6041 8.7862 8.7862 8.8429 8.8429 9.3629 9.3629 9.7922 9.7922 k = 0.3625 0.2093 0.3060 ( 5038 PWs) bands (ev): -34.0218 -34.0218 -15.2884 -15.2884 -14.9195 -14.9195 -14.9019 -14.9019 -2.4448 -2.4448 -2.3834 -2.3834 -1.7328 -1.7328 -1.7191 -1.7191 -1.5313 -1.5313 -1.3497 -1.3497 -1.0755 -1.0755 -1.0241 -1.0241 -0.9838 -0.9838 -0.9016 -0.9016 -0.6816 -0.6816 -0.3834 -0.3834 3.1135 3.1135 3.2401 3.2401 5.3995 5.3995 5.6998 5.6998 6.1950 6.1950 6.6004 6.6004 8.7790 8.7790 8.8309 8.8309 9.3004 9.3004 9.7387 9.7387 k = 0.3750 0.2165 0.3060 ( 5046 PWs) bands (ev): -34.0218 -34.0218 -15.2886 -15.2886 -14.9196 -14.9196 -14.9022 -14.9022 -2.4400 -2.4400 -2.3822 -2.3822 -1.7314 -1.7314 -1.7183 -1.7183 -1.5246 -1.5246 -1.3430 -1.3430 -1.0746 -1.0746 -1.0268 -1.0268 -0.9841 -0.9841 -0.8982 -0.8982 -0.6509 -0.6509 -0.3634 -0.3634 3.0508 3.0508 3.1621 3.1621 5.3868 5.3868 5.6716 5.6716 6.2148 6.2148 6.5998 6.5998 8.7755 8.7755 8.8193 8.8193 9.2401 9.2401 9.6885 9.6885 k = 0.3875 0.2237 0.3060 ( 5046 PWs) bands (ev): -34.0217 -34.0217 -15.2888 -15.2888 -14.9198 -14.9198 -14.9025 -14.9025 -2.4354 -2.4354 -2.3813 -2.3813 -1.7301 -1.7301 -1.7175 -1.7175 -1.5186 -1.5186 -1.3369 -1.3369 -1.0737 -1.0737 -1.0297 -1.0297 -0.9844 -0.9844 -0.8951 -0.8951 -0.6188 -0.6188 -0.3454 -0.3454 2.9889 2.9889 3.0922 3.0922 5.3758 5.3758 5.6462 5.6462 6.2317 6.2317 6.6020 6.6020 8.7739 8.7739 8.8096 8.8096 9.1836 9.1836 9.6410 9.6410 k = 0.4000 0.2309 0.3060 ( 5054 PWs) bands (ev): -34.0217 -34.0217 -15.2890 -15.2890 -14.9200 -14.9200 -14.9028 -14.9028 -2.4313 -2.4313 -2.3806 -2.3806 -1.7290 -1.7290 -1.7169 -1.7169 -1.5132 -1.5132 -1.3314 -1.3314 -1.0727 -1.0727 -1.0328 -1.0328 -0.9848 -0.9848 -0.8926 -0.8926 -0.5859 -0.5859 -0.3301 -0.3301 2.9295 2.9295 3.0297 3.0297 5.3661 5.3661 5.6239 5.6239 6.2455 6.2455 6.6071 6.6071 8.7695 8.7695 8.8059 8.8059 9.1319 9.1319 9.5960 9.5960 k = 0.4125 0.2382 0.3060 ( 5042 PWs) bands (ev): -34.0217 -34.0217 -15.2891 -15.2891 -14.9201 -14.9201 -14.9030 -14.9030 -2.4276 -2.4276 -2.3800 -2.3800 -1.7278 -1.7278 -1.7162 -1.7162 -1.5085 -1.5085 -1.3265 -1.3265 -1.0716 -1.0716 -1.0360 -1.0360 -0.9852 -0.9852 -0.8903 -0.8903 -0.5527 -0.5527 -0.3176 -0.3176 2.8741 2.8741 2.9743 2.9743 5.3576 5.3576 5.6044 5.6044 6.2564 6.2564 6.6144 6.6144 8.7588 8.7588 8.8108 8.8108 9.0863 9.0863 9.5535 9.5535 k = 0.4250 0.2454 0.3060 ( 5046 PWs) bands (ev): -34.0217 -34.0217 -15.2892 -15.2892 -14.9202 -14.9202 -14.9031 -14.9031 -2.4243 -2.4243 -2.3797 -2.3797 -1.7269 -1.7269 -1.7157 -1.7157 -1.5044 -1.5044 -1.3222 -1.3222 -1.0703 -1.0703 -1.0393 -1.0393 -0.9855 -0.9855 -0.8886 -0.8886 -0.5200 -0.5200 -0.3085 -0.3085 2.8242 2.8242 2.9255 2.9255 5.3503 5.3503 5.5878 5.5878 6.2646 6.2646 6.6232 6.6232 8.7442 8.7442 8.8217 8.8217 9.0474 9.0474 9.5136 9.5136 k = 0.4375 0.2526 0.3060 ( 5046 PWs) bands (ev): -34.0217 -34.0217 -15.2893 -15.2893 -14.9203 -14.9203 -14.9033 -14.9033 -2.4215 -2.4215 -2.3795 -2.3795 -1.7260 -1.7260 -1.7153 -1.7153 -1.5010 -1.5010 -1.3186 -1.3186 -1.0689 -1.0689 -1.0426 -1.0426 -0.9858 -0.9858 -0.8871 -0.8871 -0.4885 -0.4885 -0.3028 -0.3028 2.7810 2.7810 2.8834 2.8834 5.3440 5.3440 5.5741 5.5741 6.2705 6.2705 6.6328 6.6328 8.7282 8.7282 8.8357 8.8357 9.0153 9.0153 9.4769 9.4769 k = 0.4500 0.2598 0.3060 ( 5038 PWs) bands (ev): -34.0217 -34.0217 -15.2894 -15.2894 -14.9204 -14.9204 -14.9034 -14.9034 -2.4191 -2.4191 -2.3794 -2.3794 -1.7252 -1.7252 -1.7149 -1.7149 -1.4981 -1.4981 -1.3156 -1.3156 -1.0673 -1.0673 -1.0457 -1.0457 -0.9859 -0.9859 -0.8859 -0.8859 -0.4590 -0.4590 -0.3006 -0.3006 2.7450 2.7450 2.8481 2.8481 5.3387 5.3387 5.5630 5.5630 6.2746 6.2746 6.6421 6.6421 8.7124 8.7124 8.8510 8.8510 8.9900 8.9900 9.4442 9.4442 k = 0.4625 0.2670 0.3060 ( 5032 PWs) bands (ev): -34.0216 -34.0216 -15.2895 -15.2895 -14.9204 -14.9204 -14.9035 -14.9035 -2.4172 -2.4172 -2.3794 -2.3794 -1.7246 -1.7246 -1.7147 -1.7147 -1.4959 -1.4959 -1.3133 -1.3133 -1.0655 -1.0655 -1.0487 -1.0487 -0.9860 -0.9860 -0.8850 -0.8850 -0.4323 -0.4323 -0.3018 -0.3018 2.7167 2.7167 2.8200 2.8200 5.3346 5.3346 5.5546 5.5546 6.2773 6.2773 6.6503 6.6503 8.6982 8.6982 8.8660 8.8660 8.9708 8.9708 9.4165 9.4165 k = 0.4750 0.2742 0.3060 ( 5032 PWs) bands (ev): -34.0216 -34.0216 -15.2895 -15.2895 -14.9205 -14.9205 -14.9036 -14.9036 -2.4158 -2.4158 -2.3794 -2.3794 -1.7242 -1.7242 -1.7145 -1.7145 -1.4943 -1.4943 -1.3117 -1.3117 -1.0637 -1.0637 -1.0515 -1.0515 -0.9861 -0.9861 -0.8844 -0.8844 -0.4099 -0.4099 -0.3055 -0.3055 2.6964 2.6964 2.7996 2.7996 5.3315 5.3315 5.5487 5.5487 6.2790 6.2790 6.6568 6.6568 8.6870 8.6870 8.8790 8.8790 8.9570 8.9570 9.3952 9.3952 k = 0.4875 0.2815 0.3060 ( 5020 PWs) bands (ev): -34.0216 -34.0216 -15.2895 -15.2895 -14.9205 -14.9205 -14.9036 -14.9036 -2.4150 -2.4150 -2.3793 -2.3793 -1.7239 -1.7239 -1.7143 -1.7143 -1.4933 -1.4933 -1.3107 -1.3107 -1.0619 -1.0619 -1.0538 -1.0538 -0.9861 -0.9861 -0.8840 -0.8840 -0.3939 -0.3939 -0.3100 -0.3100 2.6842 2.6842 2.7872 2.7872 5.3297 5.3297 5.5452 5.5452 6.2799 6.2799 6.6609 6.6609 8.6798 8.6798 8.8884 8.8884 8.9484 8.9484 9.3817 9.3817 k = 0.5000 0.2887 0.3060 ( 5020 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4147 -2.4147 -2.3793 -2.3793 -1.7238 -1.7238 -1.7143 -1.7143 -1.4930 -1.4930 -1.3103 -1.3103 -1.0611 -1.0611 -1.0549 -1.0549 -0.9862 -0.9862 -0.8839 -0.8839 -0.3879 -0.3879 -0.3122 -0.3122 2.6802 2.6802 2.7830 2.7830 5.3291 5.3291 5.5440 5.5440 6.2802 6.2802 6.6623 6.6623 8.6774 8.6774 8.8918 8.8918 8.9453 8.9453 9.3770 9.3770 k = 0.5000 0.2887 0.3060 ( 5020 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4147 -2.4147 -2.3793 -2.3793 -1.7238 -1.7238 -1.7143 -1.7143 -1.4930 -1.4930 -1.3103 -1.3103 -1.0611 -1.0611 -1.0549 -1.0549 -0.9862 -0.9862 -0.8839 -0.8839 -0.3879 -0.3879 -0.3122 -0.3122 2.6802 2.6802 2.7830 2.7830 5.3291 5.3291 5.5440 5.5440 6.2802 6.2802 6.6623 6.6623 8.6774 8.6774 8.8918 8.8918 8.9453 8.9453 9.3770 9.3770 k = 0.4928 0.3012 0.3060 ( 5016 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4150 -2.4150 -2.3788 -2.3788 -1.7241 -1.7241 -1.7140 -1.7140 -1.4932 -1.4932 -1.3100 -1.3100 -1.0611 -1.0611 -1.0546 -1.0546 -0.9861 -0.9861 -0.8841 -0.8841 -0.3878 -0.3878 -0.3113 -0.3113 2.6808 2.6808 2.7836 2.7836 5.3274 5.3274 5.5387 5.5387 6.2754 6.2754 6.6576 6.6576 8.6788 8.6788 8.9038 8.9038 8.9523 8.9523 9.3785 9.3785 k = 0.4855 0.3138 0.3060 ( 5022 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9037 -14.9037 -2.4158 -2.4158 -2.3775 -2.3775 -1.7250 -1.7250 -1.7131 -1.7131 -1.4940 -1.4940 -1.3092 -1.3092 -1.0611 -1.0611 -1.0541 -1.0541 -0.9861 -0.9861 -0.8846 -0.8846 -0.3877 -0.3877 -0.3086 -0.3086 2.6826 2.6826 2.7855 2.7855 5.3218 5.3218 5.5234 5.5234 6.2610 6.2610 6.6441 6.6441 8.6829 8.6829 8.9384 8.9384 8.9727 8.9727 9.3836 9.3836 k = 0.4783 0.3263 0.3060 ( 5026 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9204 -14.9204 -14.9038 -14.9038 -2.4171 -2.4171 -2.3753 -2.3753 -1.7261 -1.7261 -1.7119 -1.7119 -1.4952 -1.4952 -1.3078 -1.3078 -1.0611 -1.0611 -1.0534 -1.0534 -0.9860 -0.9860 -0.8855 -0.8855 -0.3874 -0.3874 -0.3043 -0.3043 2.6857 2.6857 2.7886 2.7886 5.3106 5.3106 5.5004 5.5004 6.2369 6.2369 6.6241 6.6241 8.6895 8.6895 8.9877 8.9877 9.0102 9.0102 9.3944 9.3944 k = 0.4710 0.3389 0.3060 ( 5034 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9204 -14.9204 -14.9039 -14.9039 -2.4186 -2.4186 -2.3725 -2.3725 -1.7274 -1.7274 -1.7105 -1.7105 -1.4969 -1.4969 -1.3060 -1.3060 -1.0610 -1.0610 -1.0523 -1.0523 -0.9859 -0.9859 -0.8867 -0.8867 -0.3869 -0.3869 -0.2986 -0.2986 2.6898 2.6898 2.7928 2.7928 5.2909 5.2909 5.4734 5.4734 6.2035 6.2035 6.6002 6.6002 8.6987 8.6987 9.0281 9.0281 9.0810 9.0810 9.4144 9.4144 k = 0.4638 0.3514 0.3060 ( 5030 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9203 -14.9203 -14.9040 -14.9040 -2.4202 -2.4202 -2.3693 -2.3693 -1.7287 -1.7287 -1.7089 -1.7089 -1.4988 -1.4988 -1.3036 -1.3036 -1.0607 -1.0607 -1.0510 -1.0510 -0.9857 -0.9857 -0.8882 -0.8882 -0.3858 -0.3858 -0.2914 -0.2914 2.6951 2.6951 2.7982 2.7982 5.2593 5.2593 5.4469 5.4469 6.1622 6.1622 6.5748 6.5748 8.7102 8.7102 9.0615 9.0615 9.1740 9.1740 9.4482 9.4482 k = 0.4565 0.3640 0.3060 ( 5032 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9202 -14.9202 -14.9042 -14.9042 -2.4219 -2.4219 -2.3658 -2.3658 -1.7301 -1.7301 -1.7073 -1.7073 -1.5011 -1.5011 -1.3010 -1.3010 -1.0603 -1.0603 -1.0495 -1.0495 -0.9854 -0.9854 -0.8901 -0.8901 -0.3841 -0.3841 -0.2833 -0.2833 2.7013 2.7013 2.8046 2.8046 5.2141 5.2141 5.4230 5.4230 6.1152 6.1152 6.5494 6.5494 8.7241 8.7241 9.0873 9.0873 9.2814 9.2814 9.4996 9.4996 k = 0.4493 0.3765 0.3060 ( 5036 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9201 -14.9201 -14.9044 -14.9044 -2.4235 -2.4235 -2.3621 -2.3621 -1.7314 -1.7314 -1.7056 -1.7056 -1.5037 -1.5037 -1.2980 -1.2980 -1.0599 -1.0599 -1.0477 -1.0477 -0.9851 -0.9851 -0.8923 -0.8923 -0.3818 -0.3818 -0.2743 -0.2743 2.7083 2.7083 2.8120 2.8120 5.1567 5.1567 5.4010 5.4010 6.0658 6.0658 6.5248 6.5248 8.7402 8.7402 9.1035 9.1035 9.3996 9.3996 9.5695 9.5695 k = 0.4420 0.3891 0.3060 ( 5024 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9200 -14.9200 -14.9046 -14.9046 -2.4250 -2.4250 -2.3582 -2.3582 -1.7326 -1.7326 -1.7039 -1.7039 -1.5064 -1.5064 -1.2948 -1.2948 -1.0592 -1.0592 -1.0456 -1.0456 -0.9847 -0.9847 -0.8948 -0.8948 -0.3788 -0.3788 -0.2646 -0.2646 2.7160 2.7160 2.8201 2.8201 5.0904 5.0904 5.3778 5.3778 6.0179 6.0179 6.5010 6.5010 8.7584 8.7584 9.1109 9.1109 9.5257 9.5257 9.6552 9.6552 k = 0.4348 0.4016 0.3060 ( 5028 PWs) bands (ev): -34.0216 -34.0216 -15.2898 -15.2898 -14.9199 -14.9199 -14.9049 -14.9049 -2.4263 -2.4263 -2.3543 -2.3543 -1.7338 -1.7338 -1.7023 -1.7023 -1.5093 -1.5093 -1.2914 -1.2914 -1.0587 -1.0587 -1.0433 -1.0433 -0.9843 -0.9843 -0.8976 -0.8976 -0.3750 -0.3750 -0.2544 -0.2544 2.7242 2.7242 2.8290 2.8290 5.0183 5.0183 5.3504 5.3504 5.9752 5.9752 6.4777 6.4777 8.7786 8.7786 9.1119 9.1119 9.6571 9.6571 9.7527 9.7527 k = 0.4275 0.4142 0.3060 ( 5022 PWs) bands (ev): -34.0216 -34.0216 -15.2898 -15.2898 -14.9198 -14.9198 -14.9051 -14.9051 -2.4276 -2.4276 -2.3504 -2.3504 -1.7349 -1.7349 -1.7006 -1.7006 -1.5122 -1.5122 -1.2880 -1.2880 -1.0581 -1.0581 -1.0406 -1.0406 -0.9838 -0.9838 -0.9006 -0.9006 -0.3705 -0.3705 -0.2439 -0.2439 2.7328 2.7328 2.8384 2.8384 4.9430 4.9430 5.3167 5.3167 5.9409 5.9409 6.4547 6.4547 8.8005 8.8005 9.1087 9.1087 9.7913 9.7913 9.8582 9.8582 k = 0.4203 0.4267 0.3060 ( 5026 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9197 -14.9197 -14.9054 -14.9054 -2.4287 -2.4287 -2.3466 -2.3466 -1.7359 -1.7359 -1.6990 -1.6990 -1.5152 -1.5152 -1.2846 -1.2846 -1.0576 -1.0576 -1.0376 -1.0376 -0.9832 -0.9832 -0.9040 -0.9040 -0.3652 -0.3652 -0.2333 -0.2333 2.7414 2.7414 2.8482 2.8482 4.8666 4.8666 5.2760 5.2760 5.9166 5.9166 6.4317 6.4317 8.8239 8.8239 9.1030 9.1030 9.9256 9.9256 9.9684 9.9684 k = 0.4130 0.4393 0.3060 ( 5022 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9195 -14.9195 -14.9057 -14.9057 -2.4296 -2.4296 -2.3430 -2.3430 -1.7369 -1.7369 -1.6974 -1.6974 -1.5180 -1.5180 -1.2813 -1.2813 -1.0572 -1.0572 -1.0344 -1.0344 -0.9825 -0.9825 -0.9075 -0.9075 -0.3591 -0.3591 -0.2227 -0.2227 2.7499 2.7499 2.8580 2.8580 4.7908 4.7908 5.2291 5.2291 5.9027 5.9027 6.4084 6.4084 8.8485 8.8485 9.0959 9.0959 10.0562 10.0562 10.0816 10.0816 k = 0.4058 0.4518 0.3060 ( 5022 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9194 -14.9194 -14.9060 -14.9060 -2.4304 -2.4304 -2.3395 -2.3395 -1.7377 -1.7377 -1.6959 -1.6959 -1.5208 -1.5208 -1.2780 -1.2780 -1.0569 -1.0569 -1.0309 -1.0309 -0.9818 -0.9818 -0.9113 -0.9113 -0.3523 -0.3523 -0.2124 -0.2124 2.7581 2.7581 2.8678 2.8678 4.7171 4.7171 5.1779 5.1779 5.8983 5.8983 6.3847 6.3847 8.8739 8.8739 9.0882 9.0882 10.1776 10.1776 10.1976 10.1976 k = 0.3986 0.4644 0.3060 ( 5022 PWs) bands (ev): -34.0215 -34.0215 -15.2900 -15.2900 -14.9193 -14.9193 -14.9062 -14.9062 -2.4310 -2.4310 -2.3362 -2.3362 -1.7385 -1.7385 -1.6945 -1.6945 -1.5235 -1.5235 -1.2749 -1.2749 -1.0567 -1.0567 -1.0272 -1.0272 -0.9810 -0.9810 -0.9151 -0.9151 -0.3450 -0.3450 -0.2026 -0.2026 2.7656 2.7656 2.8773 2.8773 4.6467 4.6467 5.1247 5.1247 5.9019 5.9019 6.3607 6.3607 8.8997 8.8997 9.0805 9.0805 10.2877 10.2877 10.3107 10.3107 k = 0.3913 0.4769 0.3060 ( 5026 PWs) bands (ev): -34.0215 -34.0215 -15.2900 -15.2900 -14.9191 -14.9191 -14.9065 -14.9065 -2.4316 -2.4316 -2.3332 -2.3332 -1.7391 -1.7391 -1.6932 -1.6932 -1.5259 -1.5259 -1.2719 -1.2719 -1.0565 -1.0565 -1.0236 -1.0236 -0.9801 -0.9801 -0.9190 -0.9190 -0.3372 -0.3372 -0.1934 -0.1934 2.7722 2.7722 2.8862 2.8862 4.5808 4.5808 5.0719 5.0719 5.9121 5.9121 6.3362 6.3362 8.9253 8.9253 9.0732 9.0732 10.3843 10.3844 10.4105 10.4105 k = 0.3841 0.4895 0.3060 ( 5038 PWs) bands (ev): -34.0215 -34.0215 -15.2901 -15.2901 -14.9190 -14.9190 -14.9068 -14.9068 -2.4320 -2.4320 -2.3305 -2.3305 -1.7397 -1.7397 -1.6920 -1.6920 -1.5282 -1.5282 -1.2693 -1.2693 -1.0565 -1.0565 -1.0200 -1.0200 -0.9792 -0.9792 -0.9229 -0.9229 -0.3290 -0.3290 -0.1851 -0.1851 2.7778 2.7778 2.8942 2.8942 4.5205 4.5205 5.0214 5.0214 5.9273 5.9273 6.3112 6.3112 8.9502 8.9502 9.0666 9.0666 10.4426 10.4426 10.5028 10.5029 k = 0.3768 0.5020 0.3060 ( 5036 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9189 -14.9189 -14.9070 -14.9070 -2.4323 -2.4323 -2.3281 -2.3281 -1.7402 -1.7402 -1.6908 -1.6908 -1.5301 -1.5301 -1.2668 -1.2668 -1.0566 -1.0566 -1.0165 -1.0165 -0.9781 -0.9781 -0.9266 -0.9266 -0.3208 -0.3208 -0.1777 -0.1777 2.7822 2.7822 2.9011 2.9011 4.4666 4.4666 4.9749 4.9749 5.9463 5.9463 6.2860 6.2860 8.9737 8.9737 9.0609 9.0609 10.4527 10.4527 10.5926 10.5926 k = 0.3696 0.5146 0.3060 ( 5040 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9188 -14.9188 -14.9072 -14.9072 -2.4325 -2.4325 -2.3260 -2.3260 -1.7405 -1.7405 -1.6899 -1.6899 -1.5318 -1.5318 -1.2647 -1.2647 -1.0567 -1.0567 -1.0134 -1.0134 -0.9770 -0.9770 -0.9303 -0.9303 -0.3126 -0.3126 -0.1715 -0.1715 2.7854 2.7854 2.9068 2.9068 4.4199 4.4199 4.9339 4.9339 5.9680 5.9680 6.2607 6.2607 8.9949 8.9949 9.0562 9.0562 10.4386 10.4386 10.6747 10.6747 k = 0.3623 0.5271 0.3060 ( 5040 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9187 -14.9187 -14.9074 -14.9074 -2.4326 -2.4326 -2.3243 -2.3243 -1.7408 -1.7408 -1.6890 -1.6890 -1.5332 -1.5332 -1.2629 -1.2629 -1.0568 -1.0568 -1.0107 -1.0107 -0.9757 -0.9757 -0.9336 -0.9336 -0.3049 -0.3049 -0.1664 -0.1664 2.7874 2.7874 2.9110 2.9110 4.3811 4.3811 4.8993 4.8993 5.9914 5.9914 6.2354 6.2354 9.0131 9.0131 9.0527 9.0527 10.4178 10.4178 10.7459 10.7459 k = 0.3551 0.5397 0.3060 ( 5040 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9075 -14.9075 -2.4327 -2.4327 -2.3230 -2.3230 -1.7410 -1.7410 -1.6883 -1.6883 -1.5342 -1.5342 -1.2614 -1.2614 -1.0569 -1.0569 -1.0086 -1.0086 -0.9745 -0.9745 -0.9364 -0.9364 -0.2980 -0.2980 -0.1626 -0.1626 2.7884 2.7884 2.9139 2.9139 4.3507 4.3507 4.8718 4.8718 6.0154 6.0154 6.2109 6.2109 9.0272 9.0272 9.0508 9.0508 10.3978 10.3978 10.8034 10.8034 k = 0.3478 0.5522 0.3060 ( 5040 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4327 -2.4327 -2.3220 -2.3220 -1.7411 -1.7411 -1.6878 -1.6878 -1.5350 -1.5350 -1.2603 -1.2603 -1.0570 -1.0570 -1.0071 -1.0071 -0.9735 -0.9735 -0.9386 -0.9386 -0.2924 -0.2924 -0.1601 -0.1601 2.7885 2.7885 2.9155 2.9155 4.3290 4.3290 4.8520 4.8520 6.0382 6.0382 6.1883 6.1883 9.0361 9.0361 9.0510 9.0510 10.3819 10.3819 10.8454 10.8454 k = 0.3406 0.5648 0.3060 ( 5040 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4327 -2.4327 -2.3215 -2.3215 -1.7412 -1.7412 -1.6875 -1.6875 -1.5354 -1.5354 -1.2596 -1.2596 -1.0571 -1.0571 -1.0062 -1.0062 -0.9728 -0.9728 -0.9399 -0.9399 -0.2886 -0.2886 -0.1587 -0.1587 2.7883 2.7883 2.9161 2.9161 4.3160 4.3160 4.8401 4.8401 6.0565 6.0565 6.1703 6.1703 9.0399 9.0399 9.0527 9.0527 10.3720 10.3720 10.8710 10.8710 k = 0.3333 0.5774 0.3060 ( 5028 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4327 -2.4327 -2.3213 -2.3213 -1.7411 -1.7411 -1.6874 -1.6874 -1.5355 -1.5355 -1.2593 -1.2593 -1.0571 -1.0571 -1.0058 -1.0058 -0.9725 -0.9725 -0.9404 -0.9404 -0.2872 -0.2872 -0.1582 -0.1582 2.7881 2.7881 2.9162 2.9162 4.3118 4.3118 4.8361 4.8361 6.0642 6.0642 6.1629 6.1629 9.0410 9.0410 9.0535 9.0535 10.3686 10.3686 10.8795 10.8795 k = 0.3333 0.5774 0.3060 ( 5028 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4327 -2.4327 -2.3213 -2.3213 -1.7411 -1.7411 -1.6874 -1.6874 -1.5355 -1.5355 -1.2593 -1.2593 -1.0571 -1.0571 -1.0058 -1.0058 -0.9725 -0.9725 -0.9404 -0.9404 -0.2872 -0.2872 -0.1582 -0.1582 2.7881 2.7881 2.9162 2.9162 4.3118 4.3118 4.8361 4.8361 6.0642 6.0642 6.1629 6.1629 9.0410 9.0410 9.0535 9.0535 10.3686 10.3686 10.8795 10.8806 k = 0.3261 0.5648 0.3060 ( 5044 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4327 -2.4327 -2.3215 -2.3215 -1.7412 -1.7412 -1.6875 -1.6875 -1.5354 -1.5354 -1.2596 -1.2596 -1.0571 -1.0571 -1.0062 -1.0062 -0.9728 -0.9728 -0.9400 -0.9400 -0.2888 -0.2888 -0.1586 -0.1586 2.7885 2.7885 2.9163 2.9163 4.3159 4.3159 4.8400 4.8400 6.0566 6.0566 6.1702 6.1702 9.0393 9.0393 9.0534 9.0534 10.3718 10.3718 10.8719 10.8719 k = 0.3188 0.5522 0.3060 ( 5046 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4328 -2.4328 -2.3220 -2.3220 -1.7412 -1.7412 -1.6879 -1.6879 -1.5351 -1.5351 -1.2604 -1.2604 -1.0570 -1.0570 -1.0070 -1.0070 -0.9735 -0.9735 -0.9388 -0.9388 -0.2939 -0.2939 -0.1597 -0.1597 2.7900 2.7900 2.9171 2.9171 4.3281 4.3281 4.8515 4.8515 6.0383 6.0383 6.1871 6.1871 9.0328 9.0328 9.0550 9.0550 10.3806 10.3806 10.8529 10.8530 k = 0.3116 0.5397 0.3060 ( 5038 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9187 -14.9187 -14.9075 -14.9075 -2.4329 -2.4329 -2.3229 -2.3229 -1.7411 -1.7411 -1.6884 -1.6884 -1.5345 -1.5345 -1.2616 -1.2616 -1.0567 -1.0567 -1.0082 -1.0082 -0.9743 -0.9743 -0.9370 -0.9370 -0.3026 -0.3026 -0.1614 -0.1614 2.7934 2.7934 2.9194 2.9194 4.3479 4.3479 4.8703 4.8703 6.0153 6.0153 6.2075 6.2075 9.0217 9.0217 9.0589 9.0589 10.3932 10.3932 10.8291 10.8291 k = 0.3043 0.5271 0.3060 ( 5036 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9187 -14.9187 -14.9074 -14.9074 -2.4330 -2.4330 -2.3242 -2.3242 -1.7410 -1.7410 -1.6891 -1.6891 -1.5338 -1.5338 -1.2635 -1.2635 -1.0563 -1.0563 -1.0098 -1.0098 -0.9753 -0.9753 -0.9350 -0.9350 -0.3153 -0.3153 -0.1639 -0.1639 2.7992 2.7992 2.9237 2.9237 4.3747 4.3747 4.8960 4.8960 5.9903 5.9903 6.2283 6.2283 9.0075 9.0075 9.0645 9.0645 10.4066 10.4066 10.8062 10.8062 k = 0.2971 0.5146 0.3060 ( 5036 PWs) bands (ev): -34.0215 -34.0215 -15.2902 -15.2902 -14.9187 -14.9187 -14.9072 -14.9072 -2.4332 -2.4332 -2.3258 -2.3258 -1.7409 -1.7409 -1.6900 -1.6900 -1.5330 -1.5330 -1.2659 -1.2659 -1.0558 -1.0558 -1.0117 -1.0117 -0.9762 -0.9762 -0.9328 -0.9328 -0.3317 -0.3317 -0.1675 -0.1675 2.8080 2.8080 2.9307 2.9307 4.4080 4.4080 4.9280 4.9280 5.9647 5.9647 6.2478 6.2478 8.9913 8.9913 9.0717 9.0717 10.4166 10.4166 10.7899 10.7899 k = 0.2899 0.5020 0.3060 ( 5044 PWs) bands (ev): -34.0215 -34.0215 -15.2901 -15.2901 -14.9188 -14.9188 -14.9070 -14.9070 -2.4336 -2.4336 -2.3277 -2.3277 -1.7409 -1.7409 -1.6912 -1.6912 -1.5322 -1.5322 -1.2690 -1.2690 -1.0552 -1.0552 -1.0139 -1.0139 -0.9771 -0.9771 -0.9306 -0.9306 -0.3516 -0.3516 -0.1726 -0.1726 2.8205 2.8205 2.9409 2.9409 4.4472 4.4472 4.9659 4.9659 5.9388 5.9388 6.2653 6.2653 8.9742 8.9742 9.0802 9.0802 10.4188 10.4188 10.7851 10.7851 k = 0.2826 0.4895 0.3060 ( 5048 PWs) bands (ev): -34.0216 -34.0216 -15.2900 -15.2900 -14.9189 -14.9189 -14.9068 -14.9068 -2.4341 -2.4341 -2.3299 -2.3299 -1.7408 -1.7408 -1.6925 -1.6925 -1.5315 -1.5315 -1.2727 -1.2727 -1.0544 -1.0544 -1.0163 -1.0163 -0.9779 -0.9779 -0.9284 -0.9284 -0.3746 -0.3746 -0.1793 -0.1793 2.8372 2.8372 2.9547 2.9547 4.4918 4.4918 5.0093 5.0093 5.9133 5.9133 6.2801 6.2801 8.9573 8.9573 9.0902 9.0902 10.4105 10.4105 10.7947 10.7947 k = 0.2754 0.4769 0.3060 ( 5046 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9189 -14.9189 -14.9065 -14.9065 -2.4348 -2.4348 -2.3324 -2.3324 -1.7408 -1.7408 -1.6940 -1.6940 -1.5308 -1.5308 -1.2769 -1.2769 -1.0536 -1.0536 -1.0186 -1.0186 -0.9784 -0.9784 -0.9263 -0.9263 -0.4004 -0.4004 -0.1880 -0.1880 2.8585 2.8585 2.9724 2.9724 4.5413 4.5413 5.0575 5.0575 5.8883 5.8883 6.2918 6.2918 8.9413 8.9413 9.1017 9.1017 10.3919 10.3919 10.8169 10.8169 k = 0.2681 0.4644 0.3060 ( 5054 PWs) bands (ev): -34.0216 -34.0216 -15.2899 -15.2899 -14.9190 -14.9190 -14.9062 -14.9062 -2.4357 -2.4357 -2.3352 -2.3352 -1.7408 -1.7408 -1.6957 -1.6957 -1.5304 -1.5304 -1.2818 -1.2818 -1.0528 -1.0528 -1.0209 -1.0209 -0.9788 -0.9788 -0.9246 -0.9246 -0.4285 -0.4285 -0.1989 -0.1989 2.8848 2.8848 2.9942 2.9942 4.5952 4.5952 5.1102 5.1102 5.8641 5.8641 6.3002 6.3002 8.9268 8.9268 9.1146 9.1146 10.3658 10.3658 10.8426 10.8431 k = 0.2609 0.4518 0.3060 ( 5050 PWs) bands (ev): -34.0216 -34.0216 -15.2897 -15.2897 -14.9190 -14.9190 -14.9058 -14.9058 -2.4367 -2.4367 -2.3381 -2.3381 -1.7408 -1.7408 -1.6974 -1.6974 -1.5303 -1.5303 -1.2872 -1.2872 -1.0521 -1.0521 -1.0231 -1.0231 -0.9790 -0.9790 -0.9230 -0.9230 -0.4585 -0.4585 -0.2120 -0.2120 2.9161 2.9161 3.0203 3.0203 4.6532 4.6532 5.1666 5.1666 5.8409 5.8409 6.3050 6.3050 8.9144 8.9144 9.1292 9.1292 10.3355 10.3355 10.8493 10.8494 k = 0.2536 0.4393 0.3060 ( 5042 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9190 -14.9190 -14.9055 -14.9055 -2.4380 -2.4380 -2.3413 -2.3413 -1.7408 -1.7408 -1.6992 -1.6992 -1.5304 -1.5304 -1.2932 -1.2932 -1.0516 -1.0516 -1.0249 -1.0249 -0.9790 -0.9790 -0.9216 -0.9216 -0.4898 -0.4898 -0.2273 -0.2273 2.9525 2.9525 3.0510 3.0510 4.7149 4.7149 5.2264 5.2264 5.8192 5.8192 6.3062 6.3062 8.9043 8.9043 9.1453 9.1453 10.3034 10.3034 10.8462 10.8462 k = 0.2464 0.4267 0.3060 ( 5038 PWs) bands (ev): -34.0216 -34.0216 -15.2894 -15.2894 -14.9190 -14.9190 -14.9051 -14.9051 -2.4396 -2.4396 -2.3447 -2.3447 -1.7409 -1.7409 -1.7011 -1.7011 -1.5311 -1.5311 -1.2997 -1.2997 -1.0516 -1.0516 -1.0262 -1.0262 -0.9788 -0.9788 -0.9206 -0.9206 -0.5222 -0.5222 -0.2447 -0.2447 2.9936 2.9936 3.0867 3.0867 4.7799 4.7799 5.2889 5.2889 5.7990 5.7990 6.3037 6.3037 8.8967 8.8967 9.1632 9.1632 10.2712 10.2712 10.8434 10.8434 k = 0.2391 0.4142 0.3060 ( 5034 PWs) bands (ev): -34.0217 -34.0217 -15.2892 -15.2892 -14.9190 -14.9190 -14.9047 -14.9047 -2.4415 -2.4415 -2.3482 -2.3482 -1.7411 -1.7411 -1.7031 -1.7031 -1.5322 -1.5322 -1.3068 -1.3068 -1.0521 -1.0521 -1.0269 -1.0269 -0.9785 -0.9785 -0.9200 -0.9200 -0.5550 -0.5550 -0.2643 -0.2643 3.0384 3.0384 3.1279 3.1279 4.8479 4.8479 5.3534 5.3534 5.7811 5.7811 6.2976 6.2976 8.8915 8.8915 9.1828 9.1828 10.2399 10.2399 10.8419 10.8419 k = 0.2319 0.4016 0.3060 ( 5038 PWs) bands (ev): -34.0217 -34.0217 -15.2891 -15.2891 -14.9190 -14.9190 -14.9043 -14.9043 -2.4439 -2.4439 -2.3519 -2.3519 -1.7413 -1.7413 -1.7052 -1.7052 -1.5340 -1.5340 -1.3144 -1.3144 -1.0533 -1.0533 -1.0269 -1.0269 -0.9782 -0.9782 -0.9197 -0.9197 -0.5879 -0.5879 -0.2857 -0.2857 3.0857 3.0857 3.1758 3.1758 4.9186 4.9186 5.4190 5.4190 5.7660 5.7660 6.2883 6.2883 8.8888 8.8888 9.2043 9.2043 10.2101 10.2101 10.8342 10.8342 k = 0.2246 0.3891 0.3060 ( 5038 PWs) bands (ev): -34.0217 -34.0217 -15.2889 -15.2889 -14.9189 -14.9189 -14.9039 -14.9039 -2.4465 -2.4465 -2.3557 -2.3557 -1.7417 -1.7417 -1.7072 -1.7072 -1.5364 -1.5364 -1.3224 -1.3224 -1.0550 -1.0550 -1.0264 -1.0264 -0.9778 -0.9778 -0.9199 -0.9199 -0.6204 -0.6204 -0.3088 -0.3088 3.1341 3.1341 3.2313 3.2313 4.9916 4.9916 5.4841 5.4841 5.7549 5.7549 6.2761 6.2761 8.8883 8.8883 9.2278 9.2278 10.1820 10.1820 10.7965 10.7966 k = 0.2174 0.3765 0.3060 ( 5042 PWs) bands (ev): -34.0217 -34.0217 -15.2887 -15.2887 -14.9189 -14.9189 -14.9034 -14.9034 -2.4496 -2.4496 -2.3596 -2.3596 -1.7421 -1.7421 -1.7093 -1.7093 -1.5396 -1.5396 -1.3308 -1.3308 -1.0572 -1.0572 -1.0255 -1.0255 -0.9775 -0.9775 -0.9205 -0.9205 -0.6518 -0.6518 -0.3333 -0.3333 3.1825 3.1825 3.2951 3.2951 5.0668 5.0668 5.5463 5.5463 5.7502 5.7502 6.2614 6.2614 8.8898 8.8898 9.2532 9.2532 10.1552 10.1552 10.7486 10.7486 k = 0.2101 0.3640 0.3060 ( 5042 PWs) bands (ev): -34.0218 -34.0218 -15.2885 -15.2885 -14.9188 -14.9188 -14.9030 -14.9030 -2.4531 -2.4531 -2.3637 -2.3637 -1.7426 -1.7426 -1.7113 -1.7113 -1.5436 -1.5436 -1.3397 -1.3397 -1.0597 -1.0597 -1.0243 -1.0243 -0.9774 -0.9774 -0.9214 -0.9214 -0.6818 -0.6818 -0.3589 -0.3589 3.2305 3.2305 3.3669 3.3669 5.1437 5.1437 5.6000 5.6000 5.7570 5.7570 6.2450 6.2450 8.8932 8.8932 9.2808 9.2808 10.1292 10.1292 10.6973 10.6973 k = 0.2029 0.3514 0.3060 ( 5042 PWs) bands (ev): -34.0218 -34.0218 -15.2883 -15.2883 -14.9188 -14.9188 -14.9025 -14.9025 -2.4571 -2.4571 -2.3679 -2.3679 -1.7432 -1.7432 -1.7133 -1.7133 -1.5484 -1.5484 -1.3489 -1.3489 -1.0624 -1.0624 -1.0229 -1.0229 -0.9779 -0.9779 -0.9226 -0.9226 -0.7098 -0.7098 -0.3854 -0.3854 3.2781 3.2781 3.4460 3.4460 5.2220 5.2220 5.6372 5.6372 5.7826 5.7826 6.2277 6.2277 8.8984 8.8984 9.3105 9.3105 10.1034 10.1034 10.6435 10.6435 k = 0.1957 0.3389 0.3060 ( 5040 PWs) bands (ev): -34.0218 -34.0218 -15.2880 -15.2880 -14.9187 -14.9187 -14.9020 -14.9020 -2.4615 -2.4615 -2.3721 -2.3721 -1.7439 -1.7439 -1.7152 -1.7152 -1.5542 -1.5542 -1.3585 -1.3585 -1.0652 -1.0652 -1.0216 -1.0216 -0.9793 -0.9793 -0.9239 -0.9239 -0.7354 -0.7354 -0.4124 -0.4124 3.3253 3.3253 3.5319 3.5319 5.3011 5.3011 5.6573 5.6573 5.8270 5.8270 6.2110 6.2110 8.9053 8.9053 9.3424 9.3424 10.0770 10.0770 10.5875 10.5875 k = 0.1884 0.3263 0.3060 ( 5052 PWs) bands (ev): -34.0219 -34.0219 -15.2878 -15.2878 -14.9186 -14.9186 -14.9015 -14.9015 -2.4664 -2.4664 -2.3765 -2.3765 -1.7448 -1.7448 -1.7170 -1.7170 -1.5609 -1.5609 -1.3684 -1.3684 -1.0681 -1.0681 -1.0203 -1.0203 -0.9819 -0.9819 -0.9251 -0.9251 -0.7583 -0.7583 -0.4399 -0.4399 3.3719 3.3719 3.6240 3.6240 5.3803 5.3803 5.6696 5.6696 5.8792 5.8792 6.1973 6.1973 8.9138 8.9138 9.3766 9.3766 10.0493 10.0493 10.5295 10.5295 k = 0.1812 0.3138 0.3060 ( 5056 PWs) bands (ev): -34.0219 -34.0219 -15.2876 -15.2876 -14.9185 -14.9185 -14.9010 -14.9010 -2.4717 -2.4717 -2.3810 -2.3810 -1.7458 -1.7458 -1.7187 -1.7187 -1.5685 -1.5685 -1.3785 -1.3785 -1.0710 -1.0710 -1.0192 -1.0192 -0.9862 -0.9862 -0.9257 -0.9257 -0.7780 -0.7780 -0.4674 -0.4674 3.4177 3.4177 3.7216 3.7216 5.4580 5.4580 5.6823 5.6823 5.9285 5.9285 6.1907 6.1907 8.9241 8.9241 9.4130 9.4130 10.0200 10.0200 10.4697 10.4697 k = 0.1739 0.3012 0.3060 ( 5054 PWs) bands (ev): -34.0220 -34.0220 -15.2873 -15.2873 -14.9184 -14.9184 -14.9005 -14.9005 -2.4775 -2.4775 -2.3856 -2.3856 -1.7469 -1.7469 -1.7202 -1.7202 -1.5771 -1.5771 -1.3887 -1.3887 -1.0739 -1.0739 -1.0185 -1.0185 -0.9920 -0.9920 -0.9255 -0.9255 -0.7947 -0.7947 -0.4948 -0.4948 3.4624 3.4624 3.8245 3.8245 5.5312 5.5312 5.7012 5.7012 5.9656 5.9656 6.1977 6.1977 8.9362 8.9362 9.4518 9.4518 9.9890 9.9890 10.4083 10.4083 k = 0.1667 0.2887 0.3060 ( 5058 PWs) bands (ev): -34.0220 -34.0220 -15.2871 -15.2871 -14.9183 -14.9183 -14.9000 -14.9000 -2.4836 -2.4836 -2.3903 -2.3903 -1.7483 -1.7483 -1.7216 -1.7216 -1.5866 -1.5866 -1.3990 -1.3990 -1.0768 -1.0768 -1.0185 -1.0185 -0.9990 -0.9990 -0.9245 -0.9245 -0.8085 -0.8085 -0.5217 -0.5217 3.5056 3.5056 3.9323 3.9323 5.5936 5.5936 5.7333 5.7333 5.9847 5.9847 6.2234 6.2234 8.9501 8.9501 9.4927 9.4927 9.9568 9.9568 10.3455 10.3455 k = 0.1594 0.2761 0.3060 ( 5062 PWs) bands (ev): -34.0220 -34.0220 -15.2868 -15.2868 -14.9182 -14.9182 -14.8995 -14.8995 -2.4902 -2.4902 -2.3953 -2.3953 -1.7498 -1.7498 -1.7228 -1.7228 -1.5968 -1.5968 -1.4094 -1.4094 -1.0796 -1.0796 -1.0202 -1.0202 -1.0056 -1.0056 -0.9227 -0.9227 -0.8197 -0.8197 -0.5482 -0.5482 3.5469 3.5469 4.0446 4.0446 5.6393 5.6393 5.7841 5.7841 5.9888 5.9888 6.2653 6.2653 8.9659 8.9659 9.5358 9.5358 9.9241 9.9241 10.2815 10.2815 k = 0.1522 0.2636 0.3060 ( 5062 PWs) bands (ev): -34.0221 -34.0221 -15.2866 -15.2866 -14.9181 -14.9181 -14.8989 -14.8989 -2.4970 -2.4970 -2.4003 -2.4003 -1.7514 -1.7514 -1.7238 -1.7238 -1.6077 -1.6077 -1.4197 -1.4197 -1.0824 -1.0824 -1.0256 -1.0256 -1.0095 -1.0095 -0.9201 -0.9201 -0.8287 -0.8287 -0.5738 -0.5738 3.5860 3.5860 4.1609 4.1609 5.6713 5.6713 5.8474 5.8474 5.9881 5.9881 6.3162 6.3162 8.9835 8.9835 9.5809 9.5809 9.8919 9.8919 10.2166 10.2166 k = 0.1449 0.2510 0.3060 ( 5072 PWs) bands (ev): -34.0221 -34.0221 -15.2863 -15.2863 -14.9180 -14.9180 -14.8984 -14.8984 -2.5042 -2.5042 -2.4056 -2.4056 -1.7532 -1.7532 -1.7246 -1.7246 -1.6193 -1.6193 -1.4298 -1.4298 -1.0852 -1.0852 -1.0338 -1.0338 -1.0109 -1.0109 -0.9172 -0.9172 -0.8361 -0.8361 -0.5985 -0.5985 3.6226 3.6226 4.2811 4.2811 5.6965 5.6965 5.9044 5.9044 6.0000 6.0000 6.3704 6.3704 9.0022 9.0022 9.6278 9.6278 9.8615 9.8615 10.1511 10.1511 k = 0.1377 0.2385 0.3060 ( 5076 PWs) bands (ev): -34.0222 -34.0222 -15.2861 -15.2861 -14.9179 -14.9179 -14.8979 -14.8979 -2.5116 -2.5116 -2.4111 -2.4111 -1.7550 -1.7550 -1.7252 -1.7252 -1.6314 -1.6314 -1.4398 -1.4398 -1.0878 -1.0878 -1.0427 -1.0427 -1.0115 -1.0115 -0.9139 -0.9139 -0.8423 -0.8423 -0.6221 -0.6221 3.6563 3.6563 4.4045 4.4045 5.7177 5.7177 5.9306 5.9306 6.0494 6.0494 6.4247 6.4247 9.0214 9.0214 9.6757 9.6757 9.8345 9.8345 10.0854 10.0854 k = 0.1304 0.2259 0.3060 ( 5076 PWs) bands (ev): -34.0222 -34.0222 -15.2858 -15.2858 -14.9178 -14.9178 -14.8973 -14.8973 -2.5191 -2.5191 -2.4168 -2.4168 -1.7570 -1.7570 -1.7257 -1.7257 -1.6435 -1.6435 -1.4496 -1.4496 -1.0905 -1.0905 -1.0512 -1.0512 -1.0120 -1.0120 -0.9104 -0.9104 -0.8475 -0.8475 -0.6444 -0.6444 3.6870 3.6870 4.5307 4.5307 5.7340 5.7340 5.9417 5.9417 6.1231 6.1231 6.4774 6.4774 9.0396 9.0396 9.7238 9.7238 9.8130 9.8130 10.0202 10.0202 k = 0.1232 0.2134 0.3060 ( 5080 PWs) bands (ev): -34.0222 -34.0222 -15.2856 -15.2856 -14.9177 -14.9177 -14.8968 -14.8968 -2.5267 -2.5267 -2.4227 -2.4227 -1.7591 -1.7591 -1.7261 -1.7261 -1.6558 -1.6558 -1.4591 -1.4591 -1.0931 -1.0931 -1.0591 -1.0591 -1.0127 -1.0127 -0.9068 -0.9068 -0.8519 -0.8519 -0.6653 -0.6653 3.7147 3.7147 4.6590 4.6590 5.7437 5.7437 5.9582 5.9582 6.2033 6.2033 6.5274 6.5274 9.0548 9.0548 9.7676 9.7676 9.8010 9.8010 9.9576 9.9576 k = 0.1159 0.2008 0.3060 ( 5076 PWs) bands (ev): -34.0223 -34.0223 -15.2853 -15.2853 -14.9176 -14.9176 -14.8963 -14.8963 -2.5343 -2.5343 -2.4287 -2.4287 -1.7612 -1.7612 -1.7264 -1.7264 -1.6677 -1.6677 -1.4682 -1.4682 -1.0957 -1.0957 -1.0661 -1.0661 -1.0137 -1.0137 -0.9032 -0.9032 -0.8558 -0.8558 -0.6847 -0.6847 3.7393 3.7393 4.7885 4.7885 5.7469 5.7469 5.9856 5.9856 6.2850 6.2850 6.5743 6.5743 9.0646 9.0646 9.7837 9.7837 9.8142 9.8142 9.9074 9.9074 k = 0.1087 0.1883 0.3060 ( 5084 PWs) bands (ev): -34.0223 -34.0223 -15.2851 -15.2851 -14.9175 -14.9175 -14.8958 -14.8958 -2.5419 -2.5419 -2.4348 -2.4348 -1.7633 -1.7633 -1.7268 -1.7268 -1.6793 -1.6793 -1.4770 -1.4770 -1.0982 -1.0982 -1.0721 -1.0721 -1.0150 -1.0150 -0.8999 -0.8999 -0.8594 -0.8594 -0.7025 -0.7025 3.7608 3.7608 4.9177 4.9177 5.7467 5.7467 6.0235 6.0235 6.3665 6.3665 6.6177 6.6177 9.0662 9.0662 9.7755 9.7755 9.8125 9.8125 9.9076 9.9076 k = 0.1014 0.1757 0.3060 ( 5088 PWs) bands (ev): -34.0224 -34.0224 -15.2849 -15.2849 -14.9174 -14.9174 -14.8953 -14.8953 -2.5495 -2.5495 -2.4410 -2.4410 -1.7655 -1.7655 -1.7274 -1.7274 -1.6901 -1.6901 -1.4854 -1.4854 -1.1006 -1.1006 -1.0772 -1.0772 -1.0167 -1.0167 -0.8968 -0.8968 -0.8624 -0.8624 -0.7186 -0.7186 3.7794 3.7794 5.0443 5.0443 5.7474 5.7474 6.0698 6.0698 6.4469 6.4469 6.6575 6.6575 9.0572 9.0572 9.7279 9.7279 9.8253 9.8253 9.9440 9.9440 k = 0.0942 0.1632 0.3060 ( 5084 PWs) bands (ev): -34.0224 -34.0224 -15.2846 -15.2846 -14.9173 -14.9173 -14.8948 -14.8948 -2.5568 -2.5568 -2.4473 -2.4473 -1.7675 -1.7675 -1.7286 -1.7286 -1.6996 -1.6996 -1.4934 -1.4934 -1.1028 -1.1028 -1.0814 -1.0814 -1.0188 -1.0188 -0.8941 -0.8941 -0.8649 -0.8649 -0.7330 -0.7330 3.7953 3.7953 5.1644 5.1644 5.7548 5.7548 6.1221 6.1221 6.5255 6.5255 6.6939 6.6939 9.0359 9.0359 9.6668 9.6668 9.8590 9.8590 9.9828 9.9828 k = 0.0870 0.1506 0.3060 ( 5084 PWs) bands (ev): -34.0224 -34.0224 -15.2844 -15.2844 -14.9172 -14.9172 -14.8944 -14.8944 -2.5639 -2.5639 -2.4535 -2.4535 -1.7695 -1.7695 -1.7311 -1.7311 -1.7071 -1.7071 -1.5009 -1.5009 -1.1048 -1.1048 -1.0849 -1.0849 -1.0214 -1.0214 -0.8923 -0.8923 -0.8667 -0.8667 -0.7457 -0.7457 3.8086 3.8086 5.2713 5.2713 5.7765 5.7765 6.1789 6.1789 6.6017 6.6017 6.7271 6.7271 9.0017 9.0017 9.6037 9.6037 9.9065 9.9065 10.0155 10.0155 k = 0.0797 0.1381 0.3060 ( 5088 PWs) bands (ev): -34.0224 -34.0224 -15.2842 -15.2842 -14.9171 -14.9171 -14.8939 -14.8939 -2.5707 -2.5707 -2.4596 -2.4596 -1.7715 -1.7715 -1.7356 -1.7356 -1.7119 -1.7119 -1.5080 -1.5080 -1.1064 -1.1064 -1.0877 -1.0877 -1.0245 -1.0245 -0.8914 -0.8914 -0.8677 -0.8677 -0.7568 -0.7568 3.8196 3.8196 5.3558 5.3558 5.8220 5.8220 6.2384 6.2384 6.6750 6.6750 6.7576 6.7576 8.9545 8.9545 9.5411 9.5411 9.9631 9.9631 10.0395 10.0395 k = 0.0725 0.1255 0.3060 ( 5080 PWs) bands (ev): -34.0225 -34.0225 -15.2840 -15.2840 -14.9170 -14.9170 -14.8935 -14.8935 -2.5771 -2.5771 -2.4655 -2.4655 -1.7733 -1.7733 -1.7415 -1.7415 -1.7142 -1.7142 -1.5145 -1.5145 -1.1076 -1.1076 -1.0900 -1.0900 -1.0279 -1.0279 -0.8915 -0.8915 -0.8676 -0.8676 -0.7662 -0.7662 3.8287 3.8287 5.4117 5.4117 5.8975 5.8975 6.2992 6.2992 6.7447 6.7447 6.7859 6.7859 8.8944 8.8944 9.4798 9.4798 10.0105 10.0105 10.0666 10.0666 k = 0.0652 0.1130 0.3060 ( 5068 PWs) bands (ev): -34.0225 -34.0225 -15.2838 -15.2838 -14.9170 -14.9170 -14.8931 -14.8931 -2.5831 -2.5831 -2.4711 -2.4711 -1.7750 -1.7750 -1.7481 -1.7481 -1.7149 -1.7149 -1.5206 -1.5206 -1.1084 -1.1084 -1.0919 -1.0919 -1.0316 -1.0316 -0.8924 -0.8924 -0.8668 -0.8668 -0.7741 -0.7741 3.8359 3.8359 5.4421 5.4421 5.9994 5.9994 6.3599 6.3599 6.8073 6.8073 6.8157 6.8157 8.8219 8.8219 9.4208 9.4208 10.0151 10.0151 10.1168 10.1168 k = 0.0580 0.1004 0.3060 ( 5060 PWs) bands (ev): -34.0225 -34.0225 -15.2837 -15.2837 -14.9169 -14.9169 -14.8928 -14.8928 -2.5887 -2.5887 -2.4765 -2.4765 -1.7765 -1.7765 -1.7545 -1.7545 -1.7150 -1.7150 -1.5261 -1.5261 -1.1087 -1.1087 -1.0933 -1.0933 -1.0357 -1.0357 -0.8939 -0.8939 -0.8654 -0.8654 -0.7807 -0.7807 3.8417 3.8417 5.4557 5.4557 6.1182 6.1182 6.4189 6.4189 6.8365 6.8365 6.8738 6.8738 8.7376 8.7376 9.3647 9.3647 9.9960 9.9960 10.0918 10.0918 k = 0.0507 0.0879 0.3060 ( 5068 PWs) bands (ev): -34.0225 -34.0225 -15.2835 -15.2835 -14.9168 -14.9168 -14.8925 -14.8925 -2.5937 -2.5937 -2.4814 -2.4814 -1.7781 -1.7781 -1.7605 -1.7605 -1.7148 -1.7148 -1.5311 -1.5311 -1.1088 -1.1088 -1.0946 -1.0946 -1.0401 -1.0401 -0.8956 -0.8956 -0.8640 -0.8640 -0.7862 -0.7862 3.8462 3.8462 5.4601 5.4601 6.2448 6.2448 6.4746 6.4746 6.8615 6.8615 6.9315 6.9315 8.6424 8.6424 9.3123 9.3123 9.9666 9.9666 10.0251 10.0251 k = 0.0435 0.0753 0.3060 ( 5052 PWs) bands (ev): -34.0225 -34.0225 -15.2834 -15.2834 -14.9168 -14.9168 -14.8921 -14.8921 -2.5982 -2.5982 -2.4858 -2.4858 -1.7793 -1.7793 -1.7657 -1.7657 -1.7143 -1.7143 -1.5354 -1.5354 -1.1084 -1.1084 -1.0955 -1.0955 -1.0443 -1.0443 -0.8972 -0.8972 -0.8624 -0.8624 -0.7905 -0.7905 3.8496 3.8496 5.4597 5.4597 6.3725 6.3725 6.5253 6.5253 6.8864 6.8864 6.9858 6.9858 8.5381 8.5381 9.2646 9.2646 9.9327 9.9327 9.9637 9.9637 k = 0.0362 0.0628 0.3060 ( 5048 PWs) bands (ev): -34.0226 -34.0226 -15.2833 -15.2833 -14.9167 -14.9167 -14.8919 -14.8919 -2.6020 -2.6020 -2.4897 -2.4897 -1.7804 -1.7804 -1.7702 -1.7702 -1.7138 -1.7138 -1.5391 -1.5391 -1.1078 -1.1078 -1.0961 -1.0961 -1.0486 -1.0486 -0.8987 -0.8987 -0.8610 -0.8610 -0.7939 -0.7939 3.8522 3.8522 5.4572 5.4572 6.4944 6.4944 6.5702 6.5702 6.9112 6.9112 7.0383 7.0383 8.4275 8.4275 9.2223 9.2223 9.8974 9.8974 9.9128 9.9128 k = 0.0290 0.0502 0.3060 ( 5042 PWs) bands (ev): -34.0226 -34.0226 -15.2832 -15.2832 -14.9167 -14.9167 -14.8917 -14.8917 -2.6052 -2.6052 -2.4929 -2.4929 -1.7813 -1.7813 -1.7738 -1.7738 -1.7133 -1.7133 -1.5423 -1.5423 -1.1070 -1.1070 -1.0965 -1.0965 -1.0526 -1.0526 -0.9000 -0.9000 -0.8599 -0.8599 -0.7965 -0.7965 3.8541 3.8541 5.4540 5.4540 6.5918 6.5918 6.6207 6.6207 6.9347 6.9347 7.0916 7.0916 8.3143 8.3143 9.1862 9.1862 9.8615 9.8615 9.8749 9.8749 k = 0.0217 0.0377 0.3060 ( 5046 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8915 -14.8915 -2.6077 -2.6077 -2.4955 -2.4955 -1.7820 -1.7820 -1.7767 -1.7767 -1.7129 -1.7129 -1.5448 -1.5448 -1.1064 -1.1064 -1.0965 -1.0965 -1.0561 -1.0561 -0.9010 -0.9010 -0.8590 -0.8590 -0.7984 -0.7984 3.8554 3.8554 5.4508 5.4508 6.6277 6.6277 6.7064 6.7064 6.9545 6.9545 7.1480 7.1480 8.2044 8.2044 9.1573 9.1573 9.8297 9.8297 9.8476 9.8476 k = 0.0145 0.0251 0.3060 ( 5046 PWs) bands (ev): -34.0226 -34.0226 -15.2831 -15.2831 -14.9167 -14.9167 -14.8914 -14.8914 -2.6095 -2.6095 -2.4974 -2.4974 -1.7825 -1.7825 -1.7788 -1.7788 -1.7126 -1.7126 -1.5465 -1.5465 -1.1058 -1.1058 -1.0964 -1.0964 -1.0589 -1.0589 -0.9018 -0.9018 -0.8583 -0.8583 -0.7998 -0.7998 3.8563 3.8563 5.4483 5.4483 6.6477 6.6477 6.7760 6.7760 6.9685 6.9685 7.2056 7.2056 8.1068 8.1068 9.1361 9.1361 9.8062 9.8062 9.8281 9.8281 k = 0.0072 0.0126 0.3060 ( 5046 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8914 -14.8914 -2.6106 -2.6106 -2.4986 -2.4986 -1.7828 -1.7828 -1.7800 -1.7800 -1.7124 -1.7124 -1.5476 -1.5476 -1.1054 -1.1054 -1.0962 -1.0962 -1.0608 -1.0608 -0.9023 -0.9023 -0.8579 -0.8579 -0.8005 -0.8005 3.8568 3.8568 5.4467 5.4467 6.6591 6.6591 6.8192 6.8192 6.9759 6.9759 7.2532 7.2532 8.0357 8.0357 9.1231 9.1231 9.7918 9.7918 9.8163 9.8163 k = 0.0000 0.0000 0.3060 ( 5046 PWs) bands (ev): -34.0226 -34.0226 -15.2830 -15.2830 -14.9166 -14.9166 -14.8913 -14.8913 -2.6110 -2.6110 -2.4989 -2.4989 -1.7829 -1.7829 -1.7805 -1.7805 -1.7123 -1.7123 -1.5480 -1.5480 -1.1053 -1.1053 -1.0962 -1.0962 -1.0614 -1.0614 -0.9024 -0.9024 -0.8577 -0.8577 -0.8008 -0.8008 3.8569 3.8569 5.4461 5.4461 6.6629 6.6629 6.8339 6.8339 6.9780 6.9780 7.2725 7.2725 8.0088 8.0088 9.1188 9.1188 9.7870 9.7870 9.8123 9.8123 k = 0.5000 0.2887 0.3060 ( 5020 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4147 -2.4147 -2.3793 -2.3793 -1.7238 -1.7238 -1.7143 -1.7143 -1.4930 -1.4930 -1.3103 -1.3103 -1.0611 -1.0611 -1.0549 -1.0549 -0.9862 -0.9862 -0.8839 -0.8839 -0.3879 -0.3879 -0.3122 -0.3122 2.6802 2.6802 2.7830 2.7830 5.3291 5.3291 5.5440 5.5440 6.2802 6.2802 6.6623 6.6623 8.6774 8.6774 8.8918 8.8918 8.9453 8.9453 9.3770 9.3770 k = 0.5000 0.2887 0.2914 ( 5014 PWs) bands (ev): -34.0216 -34.0216 -15.2895 -15.2895 -14.9205 -14.9205 -14.9036 -14.9036 -2.4148 -2.4148 -2.3794 -2.3794 -1.7238 -1.7238 -1.7143 -1.7143 -1.4930 -1.4930 -1.3103 -1.3103 -1.0611 -1.0611 -1.0548 -1.0548 -0.9861 -0.9861 -0.8839 -0.8839 -0.3881 -0.3881 -0.3118 -0.3118 2.6754 2.6754 2.7907 2.7907 5.3250 5.3250 5.5425 5.5425 6.2785 6.2785 6.6589 6.6589 8.6772 8.6772 8.8456 8.8456 8.9909 8.9909 9.3948 9.3948 k = 0.5000 0.2887 0.2768 ( 5028 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4150 -2.4150 -2.3798 -2.3798 -1.7239 -1.7239 -1.7143 -1.7143 -1.4930 -1.4930 -1.3103 -1.3103 -1.0612 -1.0612 -1.0547 -1.0547 -0.9860 -0.9860 -0.8839 -0.8839 -0.3890 -0.3890 -0.3108 -0.3108 2.6644 2.6644 2.8106 2.8106 5.3126 5.3126 5.5382 5.5382 6.2734 6.2734 6.6489 6.6489 8.6763 8.6763 8.7820 8.7820 9.0557 9.0557 9.4452 9.4452 k = 0.5000 0.2887 0.2623 ( 5028 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4154 -2.4154 -2.3804 -2.3804 -1.7239 -1.7239 -1.7143 -1.7143 -1.4929 -1.4929 -1.3102 -1.3102 -1.0613 -1.0613 -1.0545 -1.0545 -0.9858 -0.9858 -0.8838 -0.8838 -0.3903 -0.3903 -0.3090 -0.3090 2.6517 2.6517 2.8381 2.8381 5.2917 5.2917 5.5323 5.5323 6.2642 6.2642 6.6329 6.6329 8.6672 8.6672 8.7302 8.7302 9.1242 9.1242 9.5209 9.5209 k = 0.5000 0.2887 0.2477 ( 5026 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4159 -2.4159 -2.3812 -2.3812 -1.7239 -1.7239 -1.7142 -1.7142 -1.4928 -1.4928 -1.3100 -1.3100 -1.0614 -1.0614 -1.0542 -1.0542 -0.9855 -0.9855 -0.8837 -0.8837 -0.3920 -0.3920 -0.3067 -0.3067 2.6397 2.6397 2.8704 2.8704 5.2623 5.2623 5.5257 5.5257 6.2499 6.2499 6.6123 6.6123 8.6252 8.6252 8.7198 8.7198 9.1970 9.1970 9.6145 9.6145 k = 0.5000 0.2887 0.2331 ( 5030 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4165 -2.4165 -2.3822 -2.3822 -1.7238 -1.7238 -1.7142 -1.7142 -1.4927 -1.4927 -1.3099 -1.3099 -1.0615 -1.0615 -1.0539 -1.0539 -0.9852 -0.9852 -0.8836 -0.8836 -0.3940 -0.3940 -0.3039 -0.3039 2.6297 2.6297 2.9062 2.9062 5.2248 5.2248 5.5194 5.5194 6.2292 6.2292 6.5886 6.5886 8.5678 8.5678 8.7363 8.7363 9.2745 9.2745 9.7202 9.7202 k = 0.5000 0.2887 0.2186 ( 5030 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4172 -2.4172 -2.3834 -2.3834 -1.7238 -1.7238 -1.7142 -1.7142 -1.4926 -1.4926 -1.3097 -1.3097 -1.0615 -1.0615 -1.0536 -1.0536 -0.9848 -0.9848 -0.8834 -0.8834 -0.3962 -0.3962 -0.3008 -0.3008 2.6221 2.6221 2.9447 2.9447 5.1805 5.1805 5.5139 5.5139 6.2007 6.2007 6.5642 6.5642 8.5106 8.5106 8.7654 8.7654 9.3562 9.3562 9.8338 9.8338 k = 0.5000 0.2887 0.2040 ( 5026 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4180 -2.4180 -2.3847 -2.3847 -1.7237 -1.7237 -1.7142 -1.7142 -1.4924 -1.4924 -1.3094 -1.3094 -1.0615 -1.0615 -1.0532 -1.0532 -0.9843 -0.9843 -0.8832 -0.8832 -0.3984 -0.3984 -0.2975 -0.2975 2.6170 2.6170 2.9855 2.9855 5.1306 5.1306 5.5093 5.5093 6.1634 6.1634 6.5410 6.5410 8.4567 8.4567 8.8045 8.8045 9.4410 9.4410 9.9521 9.9521 k = 0.5000 0.2887 0.1894 ( 5032 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4189 -2.4189 -2.3861 -2.3861 -1.7237 -1.7237 -1.7142 -1.7142 -1.4923 -1.4923 -1.3091 -1.3091 -1.0615 -1.0615 -1.0529 -1.0529 -0.9839 -0.9839 -0.8830 -0.8830 -0.4007 -0.4007 -0.2942 -0.2942 2.6145 2.6145 3.0279 3.0279 5.0769 5.0769 5.5054 5.5054 6.1172 6.1172 6.5207 6.5207 8.4066 8.4066 8.8524 8.8524 9.5276 9.5276 10.0730 10.0730 k = 0.5000 0.2887 0.1748 ( 5034 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4198 -2.4198 -2.3877 -2.3877 -1.7236 -1.7236 -1.7142 -1.7142 -1.4921 -1.4921 -1.3089 -1.3089 -1.0615 -1.0615 -1.0526 -1.0526 -0.9834 -0.9834 -0.8828 -0.8828 -0.4030 -0.4030 -0.2908 -0.2908 2.6144 2.6144 3.0714 3.0714 5.0209 5.0209 5.5022 5.5022 6.0628 6.0628 6.5038 6.5038 8.3605 8.3605 8.9080 8.9080 9.6138 9.6138 10.1946 10.1946 k = 0.5000 0.2887 0.1603 ( 5042 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9037 -14.9037 -2.4207 -2.4207 -2.3892 -2.3892 -1.7236 -1.7236 -1.7143 -1.7143 -1.4919 -1.4919 -1.3086 -1.3086 -1.0615 -1.0615 -1.0523 -1.0523 -0.9829 -0.9829 -0.8827 -0.8827 -0.4052 -0.4052 -0.2875 -0.2875 2.6165 2.6165 3.1157 3.1157 4.9640 4.9640 5.4996 5.4996 6.0020 6.0020 6.4902 6.4902 8.3185 8.3185 8.9701 8.9701 9.6976 9.6976 10.3154 10.3154 k = 0.5000 0.2887 0.1457 ( 5036 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4216 -2.4216 -2.3908 -2.3908 -1.7235 -1.7235 -1.7143 -1.7143 -1.4917 -1.4917 -1.3083 -1.3083 -1.0614 -1.0614 -1.0520 -1.0520 -0.9823 -0.9823 -0.8825 -0.8825 -0.4072 -0.4072 -0.2843 -0.2843 2.6207 2.6207 3.1600 3.1600 4.9078 4.9078 5.4974 5.4974 5.9369 5.9369 6.4796 6.4796 8.2805 8.2805 9.0375 9.0375 9.7761 9.7761 10.4345 10.4345 k = 0.5000 0.2887 0.1311 ( 5042 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9037 -14.9037 -2.4226 -2.4226 -2.3924 -2.3924 -1.7235 -1.7235 -1.7142 -1.7142 -1.4915 -1.4915 -1.3081 -1.3081 -1.0613 -1.0613 -1.0518 -1.0518 -0.9817 -0.9817 -0.8823 -0.8823 -0.4091 -0.4091 -0.2813 -0.2813 2.6265 2.6265 3.2036 3.2036 4.8535 4.8535 5.4955 5.4955 5.8695 5.8695 6.4712 6.4712 8.2465 8.2465 9.1089 9.1089 9.8463 9.8463 10.5513 10.5513 k = 0.5000 0.2887 0.1166 ( 5042 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4235 -2.4235 -2.3939 -2.3939 -1.7235 -1.7235 -1.7142 -1.7142 -1.4913 -1.4913 -1.3079 -1.3079 -1.0613 -1.0613 -1.0516 -1.0516 -0.9812 -0.9812 -0.8822 -0.8822 -0.4108 -0.4108 -0.2785 -0.2785 2.6336 2.6336 3.2460 3.2460 4.8023 4.8023 5.4939 5.4939 5.8019 5.8019 6.4647 6.4647 8.2162 8.2162 9.1834 9.1834 9.9051 9.9051 10.6657 10.6657 k = 0.5000 0.2887 0.1020 ( 5048 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9206 -14.9206 -14.9036 -14.9036 -2.4243 -2.4243 -2.3953 -2.3953 -1.7235 -1.7235 -1.7142 -1.7142 -1.4912 -1.4912 -1.3077 -1.3077 -1.0611 -1.0611 -1.0514 -1.0514 -0.9807 -0.9807 -0.8820 -0.8820 -0.4123 -0.4123 -0.2760 -0.2760 2.6416 2.6416 3.2862 3.2862 4.7551 4.7551 5.4925 5.4925 5.7362 5.7362 6.4596 6.4596 8.1898 8.1898 9.2597 9.2597 9.9499 9.9499 10.7775 10.7775 k = 0.5000 0.2887 0.0874 ( 5040 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9206 -14.9206 -14.9036 -14.9036 -2.4251 -2.4251 -2.3966 -2.3966 -1.7234 -1.7234 -1.7142 -1.7142 -1.4910 -1.4910 -1.3074 -1.3074 -1.0609 -1.0609 -1.0513 -1.0513 -0.9802 -0.9802 -0.8818 -0.8818 -0.4136 -0.4136 -0.2738 -0.2738 2.6500 2.6500 3.3235 3.3235 4.7129 4.7129 5.4913 5.4913 5.6743 5.6743 6.4556 6.4556 8.1670 8.1670 9.3368 9.3368 9.9788 9.9788 10.8846 10.8847 k = 0.5000 0.2887 0.0729 ( 5040 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9206 -14.9206 -14.9036 -14.9036 -2.4257 -2.4257 -2.3978 -2.3978 -1.7233 -1.7233 -1.7142 -1.7142 -1.4909 -1.4909 -1.3072 -1.3072 -1.0608 -1.0608 -1.0511 -1.0511 -0.9798 -0.9798 -0.8817 -0.8817 -0.4147 -0.4147 -0.2718 -0.2718 2.6583 2.6583 3.3570 3.3570 4.6764 4.6764 5.4902 5.4902 5.6179 5.6179 6.4524 6.4524 8.1478 8.1478 9.4133 9.4133 9.9913 9.9913 10.9579 10.9693 k = 0.5000 0.2887 0.0583 ( 5038 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4263 -2.4263 -2.3988 -2.3988 -1.7232 -1.7232 -1.7142 -1.7142 -1.4907 -1.4907 -1.3070 -1.3070 -1.0606 -1.0606 -1.0510 -1.0510 -0.9795 -0.9795 -0.8816 -0.8816 -0.4157 -0.4157 -0.2702 -0.2702 2.6660 2.6660 3.3857 3.3857 4.6462 4.6462 5.4892 5.4892 5.5690 5.5690 6.4500 6.4500 8.1322 8.1322 9.4877 9.4877 9.9884 9.9884 10.9784 10.9968 k = 0.5000 0.2887 0.0437 ( 5038 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4267 -2.4267 -2.3996 -2.3996 -1.7232 -1.7232 -1.7142 -1.7142 -1.4906 -1.4906 -1.3069 -1.3069 -1.0605 -1.0605 -1.0510 -1.0510 -0.9792 -0.9792 -0.8815 -0.8815 -0.4165 -0.4165 -0.2690 -0.2690 2.6726 2.6726 3.4089 3.4089 4.6227 4.6227 5.4877 5.4877 5.5294 5.5294 6.4483 6.4483 8.1201 8.1201 9.5578 9.5578 9.9726 9.9726 10.9907 11.0149 k = 0.5000 0.2887 0.0291 ( 5034 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9036 -14.9036 -2.4270 -2.4270 -2.4001 -2.4001 -1.7232 -1.7232 -1.7142 -1.7142 -1.4905 -1.4905 -1.3068 -1.3068 -1.0604 -1.0604 -1.0509 -1.0509 -0.9789 -0.9789 -0.8815 -0.8815 -0.4169 -0.4169 -0.2681 -0.2681 2.6777 2.6777 3.4260 3.4260 4.6058 4.6058 5.4838 5.4838 5.5028 5.5028 6.4470 6.4470 8.1114 8.1114 9.6200 9.6200 9.9483 9.9483 10.9991 11.0103 k = 0.5000 0.2887 0.0146 ( 5044 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9205 -14.9205 -14.9037 -14.9037 -2.4273 -2.4273 -2.4005 -2.4005 -1.7232 -1.7232 -1.7142 -1.7142 -1.4905 -1.4905 -1.3068 -1.3068 -1.0604 -1.0604 -1.0510 -1.0510 -0.9788 -0.9788 -0.8815 -0.8815 -0.4172 -0.4172 -0.2676 -0.2676 2.6809 2.6809 3.4365 3.4365 4.5958 4.5958 5.4741 5.4741 5.4937 5.4937 6.4463 6.4463 8.1063 8.1063 9.6670 9.6670 9.9236 9.9236 11.0046 11.0218 k = 0.5000 0.2887-0.0000 ( 5054 PWs) bands (ev): -34.0216 -34.0216 -15.2896 -15.2896 -14.9206 -14.9206 -14.9037 -14.9037 -2.4273 -2.4273 -2.4006 -2.4006 -1.7233 -1.7233 -1.7143 -1.7143 -1.4906 -1.4906 -1.3069 -1.3069 -1.0605 -1.0605 -1.0510 -1.0510 -0.9788 -0.9788 -0.8816 -0.8816 -0.4174 -0.4174 -0.2674 -0.2674 2.6819 2.6819 3.4400 3.4400 4.5924 4.5924 5.4690 5.4690 5.4924 5.4924 6.4461 6.4461 8.1045 8.1045 9.6858 9.6858 9.9122 9.9122 11.0048 11.0150 k = 0.3333 0.5774-0.0000 ( 5076 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4470 -2.4470 -2.3387 -2.3387 -1.7412 -1.7412 -1.6890 -1.6890 -1.5308 -1.5308 -1.2529 -1.2529 -1.0598 -1.0598 -0.9982 -0.9982 -0.9656 -0.9656 -0.9386 -0.9386 -0.2834 -0.2834 -0.1579 -0.1579 3.0901 3.0901 3.2424 3.2424 3.8483 3.8483 5.1810 5.1810 5.1862 5.1862 5.6770 5.6770 9.3388 9.3388 9.8786 9.8786 9.9691 9.9691 10.8008 10.8009 k = 0.3333 0.5774 0.0146 ( 5073 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4469 -2.4469 -2.3386 -2.3386 -1.7412 -1.7412 -1.6890 -1.6890 -1.5308 -1.5308 -1.2529 -1.2529 -1.0597 -1.0597 -0.9982 -0.9982 -0.9656 -0.9656 -0.9386 -0.9386 -0.2834 -0.2834 -0.1579 -0.1579 3.0880 3.0880 3.2401 3.2401 3.8499 3.8499 5.1854 5.1854 5.1909 5.1909 5.6738 5.6738 9.3442 9.3442 9.8750 9.8750 9.9650 9.9650 10.8017 10.8019 k = 0.3333 0.5774 0.0291 ( 5061 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9078 -14.9078 -2.4467 -2.4467 -2.3383 -2.3383 -1.7411 -1.7411 -1.6889 -1.6889 -1.5309 -1.5309 -1.2529 -1.2529 -1.0597 -1.0597 -0.9983 -0.9983 -0.9657 -0.9657 -0.9386 -0.9386 -0.2834 -0.2834 -0.1578 -0.1578 3.0817 3.0817 3.2331 3.2331 3.8546 3.8546 5.1981 5.1981 5.2047 5.2047 5.6646 5.6646 9.3605 9.3605 9.8641 9.8641 9.9529 9.9529 10.8041 10.8041 k = 0.3333 0.5774 0.0437 ( 5067 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4463 -2.4463 -2.3378 -2.3378 -1.7411 -1.7411 -1.6889 -1.6889 -1.5310 -1.5310 -1.2531 -1.2531 -1.0596 -1.0596 -0.9985 -0.9985 -0.9660 -0.9660 -0.9387 -0.9387 -0.2835 -0.2835 -0.1579 -0.1579 3.0716 3.0716 3.2218 3.2218 3.8626 3.8626 5.2185 5.2185 5.2273 5.2273 5.6499 5.6499 9.3872 9.3872 9.8461 9.8461 9.9329 9.9329 10.8080 10.8081 k = 0.3333 0.5774 0.0583 ( 5055 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4457 -2.4457 -2.3372 -2.3372 -1.7411 -1.7411 -1.6888 -1.6888 -1.5311 -1.5311 -1.2533 -1.2533 -1.0595 -1.0595 -0.9988 -0.9988 -0.9662 -0.9662 -0.9387 -0.9387 -0.2837 -0.2837 -0.1578 -0.1578 3.0580 3.0580 3.2067 3.2067 3.8736 3.8736 5.2451 5.2451 5.2582 5.2582 5.6311 5.6311 9.4239 9.4239 9.8211 9.8211 9.9051 9.9051 10.8131 10.8132 k = 0.3333 0.5774 0.0729 ( 5049 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4451 -2.4451 -2.3363 -2.3363 -1.7411 -1.7411 -1.6887 -1.6887 -1.5313 -1.5313 -1.2535 -1.2535 -1.0594 -1.0594 -0.9991 -0.9991 -0.9665 -0.9665 -0.9387 -0.9387 -0.2838 -0.2838 -0.1579 -0.1579 3.0413 3.0413 3.1884 3.1884 3.8876 3.8876 5.2753 5.2753 5.2968 5.2968 5.6104 5.6104 9.4698 9.4698 9.7894 9.7894 9.8700 9.8700 10.8193 10.8194 k = 0.3333 0.5774 0.0874 ( 5058 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9077 -14.9077 -2.4443 -2.4443 -2.3354 -2.3354 -1.7411 -1.7411 -1.6886 -1.6886 -1.5317 -1.5317 -1.2539 -1.2539 -1.0593 -1.0593 -0.9996 -0.9996 -0.9669 -0.9669 -0.9389 -0.9389 -0.2841 -0.2841 -0.1579 -0.1579 3.0223 3.0223 3.1676 3.1676 3.9047 3.9047 5.3047 5.3047 5.3421 5.3421 5.5921 5.5921 9.5240 9.5240 9.7512 9.7512 9.8279 9.8279 10.8262 10.8262 k = 0.3333 0.5774 0.1020 ( 5064 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9078 -14.9078 -2.4435 -2.4435 -2.3344 -2.3344 -1.7412 -1.7412 -1.6886 -1.6886 -1.5320 -1.5320 -1.2544 -1.2544 -1.0592 -1.0592 -1.0001 -1.0001 -0.9674 -0.9674 -0.9390 -0.9390 -0.2843 -0.2843 -0.1579 -0.1579 3.0015 3.0015 3.1448 3.1448 3.9246 3.9246 5.3254 5.3254 5.3932 5.3932 5.5836 5.5836 9.5854 9.5854 9.7069 9.7069 9.7795 9.7795 10.8334 10.8334 k = 0.3333 0.5774 0.1166 ( 5064 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9078 -14.9078 -2.4425 -2.4425 -2.3332 -2.3332 -1.7412 -1.7412 -1.6885 -1.6885 -1.5323 -1.5323 -1.2548 -1.2548 -1.0590 -1.0590 -1.0006 -1.0006 -0.9679 -0.9679 -0.9391 -0.9391 -0.2846 -0.2846 -0.1580 -0.1580 2.9796 2.9796 3.1209 3.1209 3.9473 3.9473 5.3282 5.3282 5.4492 5.4492 5.5938 5.5938 9.6515 9.6515 9.6571 9.6571 9.7267 9.7267 10.8406 10.8407 k = 0.3333 0.5774 0.1311 ( 5070 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4415 -2.4415 -2.3320 -2.3320 -1.7413 -1.7413 -1.6884 -1.6884 -1.5327 -1.5327 -1.2553 -1.2553 -1.0589 -1.0589 -1.0012 -1.0012 -0.9684 -0.9684 -0.9393 -0.9393 -0.2849 -0.2849 -0.1580 -0.1580 2.9570 2.9570 3.0965 3.0965 3.9727 3.9727 5.3101 5.3101 5.5090 5.5090 5.6256 5.6256 9.6025 9.6025 9.6607 9.6607 9.7306 9.7306 10.8477 10.8478 k = 0.3333 0.5774 0.1457 ( 5064 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9187 -14.9187 -14.9078 -14.9078 -2.4405 -2.4405 -2.3307 -2.3307 -1.7413 -1.7413 -1.6883 -1.6883 -1.5330 -1.5330 -1.2558 -1.2558 -1.0587 -1.0587 -1.0017 -1.0017 -0.9688 -0.9688 -0.9394 -0.9394 -0.2852 -0.2852 -0.1580 -0.1580 2.9344 2.9344 3.0721 3.0721 4.0005 4.0005 5.2763 5.2763 5.5715 5.5715 5.6731 5.6731 9.5439 9.5439 9.5988 9.5988 9.8048 9.8048 10.8543 10.8544 k = 0.3333 0.5774 0.1603 ( 5073 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4394 -2.4394 -2.3294 -2.3294 -1.7413 -1.7413 -1.6882 -1.6882 -1.5334 -1.5334 -1.2563 -1.2563 -1.0586 -1.0586 -1.0023 -1.0023 -0.9694 -0.9694 -0.9396 -0.9396 -0.2855 -0.2855 -0.1581 -0.1581 2.9123 2.9123 3.0483 3.0483 4.0305 4.0305 5.2332 5.2332 5.6355 5.6355 5.7296 5.7296 9.4824 9.4824 9.5322 9.5322 9.8826 9.8826 10.8603 10.8603 k = 0.3333 0.5774 0.1748 ( 5073 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4384 -2.4384 -2.3282 -2.3282 -1.7413 -1.7413 -1.6881 -1.6881 -1.5338 -1.5338 -1.2568 -1.2568 -1.0584 -1.0584 -1.0029 -1.0029 -0.9700 -0.9700 -0.9397 -0.9397 -0.2858 -0.2858 -0.1581 -0.1581 2.8910 2.8910 3.0255 3.0255 4.0626 4.0626 5.1848 5.1848 5.6998 5.6998 5.7906 5.7906 9.4192 9.4192 9.4636 9.4636 9.9608 9.9608 10.8654 10.8654 k = 0.3333 0.5774 0.1894 ( 5070 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4373 -2.4373 -2.3269 -2.3269 -1.7413 -1.7413 -1.6880 -1.6880 -1.5341 -1.5341 -1.2573 -1.2573 -1.0582 -1.0582 -1.0035 -1.0035 -0.9705 -0.9705 -0.9399 -0.9399 -0.2860 -0.2860 -0.1582 -0.1582 2.8710 2.8710 3.0042 3.0042 4.0963 4.0963 5.1337 5.1337 5.7630 5.7630 5.8528 5.8528 9.3557 9.3557 9.3948 9.3948 10.0370 10.0370 10.8696 10.8696 k = 0.3333 0.5774 0.2040 ( 5076 PWs) bands (ev): -34.0215 -34.0215 -15.2904 -15.2904 -14.9187 -14.9187 -14.9078 -14.9078 -2.4364 -2.4364 -2.3257 -2.3257 -1.7414 -1.7414 -1.6879 -1.6879 -1.5345 -1.5345 -1.2578 -1.2578 -1.0580 -1.0580 -1.0041 -1.0041 -0.9710 -0.9710 -0.9400 -0.9400 -0.2863 -0.2863 -0.1582 -0.1582 2.8527 2.8527 2.9846 2.9846 4.1312 4.1312 5.0817 5.0817 5.8239 5.8239 5.9141 5.9141 9.2936 9.2936 9.3274 9.3274 10.1093 10.1093 10.8729 10.8730 k = 0.3333 0.5774 0.2186 ( 5061 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9078 -14.9078 -2.4355 -2.4355 -2.3246 -2.3246 -1.7413 -1.7413 -1.6878 -1.6878 -1.5347 -1.5347 -1.2581 -1.2581 -1.0578 -1.0578 -1.0045 -1.0045 -0.9714 -0.9714 -0.9401 -0.9401 -0.2865 -0.2865 -0.1582 -0.1582 2.8362 2.8362 2.9671 2.9671 4.1666 4.1666 5.0304 5.0304 5.8809 5.8809 5.9723 5.9723 9.2346 9.2346 9.2635 9.2635 10.1754 10.1754 10.8754 10.8755 k = 0.3333 0.5774 0.2331 ( 5061 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9078 -14.9078 -2.4347 -2.4347 -2.3237 -2.3237 -1.7413 -1.7413 -1.6877 -1.6877 -1.5350 -1.5350 -1.2585 -1.2585 -1.0576 -1.0576 -1.0049 -1.0049 -0.9717 -0.9717 -0.9402 -0.9402 -0.2868 -0.2868 -0.1582 -0.1582 2.8219 2.8219 2.9519 2.9519 4.2016 4.2016 4.9811 4.9811 5.9327 5.9327 6.0256 6.0256 9.1805 9.1805 9.2049 9.2049 10.2335 10.2335 10.8772 10.8772 k = 0.3333 0.5774 0.2477 ( 5049 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4340 -2.4340 -2.3228 -2.3228 -1.7412 -1.7412 -1.6876 -1.6876 -1.5352 -1.5352 -1.2588 -1.2588 -1.0574 -1.0574 -1.0052 -1.0052 -0.9720 -0.9720 -0.9402 -0.9402 -0.2869 -0.2869 -0.1582 -0.1582 2.8099 2.8099 2.9392 2.9392 4.2350 4.2350 4.9355 4.9355 5.9776 5.9776 6.0723 6.0723 9.1331 9.1331 9.1535 9.1535 10.2820 10.2820 10.8783 10.8785 k = 0.3333 0.5774 0.2623 ( 5049 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4335 -2.4335 -2.3222 -2.3222 -1.7412 -1.7412 -1.6875 -1.6875 -1.5354 -1.5354 -1.2590 -1.2590 -1.0573 -1.0573 -1.0055 -1.0055 -0.9723 -0.9723 -0.9403 -0.9403 -0.2871 -0.2871 -0.1582 -0.1582 2.8005 2.8005 2.9292 2.9292 4.2652 4.2652 4.8956 4.8956 6.0144 6.0144 6.1107 6.1107 9.0941 9.0941 9.1111 9.1111 10.3200 10.3200 10.8789 10.8790 k = 0.3333 0.5774 0.2768 ( 5049 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4331 -2.4331 -2.3217 -2.3217 -1.7413 -1.7413 -1.6875 -1.6875 -1.5355 -1.5355 -1.2592 -1.2592 -1.0572 -1.0572 -1.0058 -1.0058 -0.9725 -0.9725 -0.9404 -0.9404 -0.2872 -0.2872 -0.1582 -0.1582 2.7936 2.7936 2.9220 2.9220 4.2897 4.2897 4.8640 4.8640 6.0417 6.0417 6.1393 6.1393 9.0650 9.0650 9.0796 9.0796 10.3470 10.3470 10.8793 10.8796 k = 0.3333 0.5774 0.2914 ( 5046 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4328 -2.4328 -2.3214 -2.3214 -1.7412 -1.7412 -1.6874 -1.6874 -1.5356 -1.5356 -1.2593 -1.2593 -1.0572 -1.0572 -1.0059 -1.0059 -0.9726 -0.9726 -0.9404 -0.9404 -0.2872 -0.2872 -0.1582 -0.1582 2.7895 2.7895 2.9176 2.9176 4.3060 4.3060 4.8433 4.8433 6.0585 6.0585 6.1569 6.1569 9.0471 9.0471 9.0601 9.0601 10.3632 10.3632 10.8794 10.8799 k = 0.3333 0.5774 0.3060 ( 5028 PWs) bands (ev): -34.0215 -34.0215 -15.2903 -15.2903 -14.9186 -14.9186 -14.9077 -14.9077 -2.4327 -2.4327 -2.3213 -2.3213 -1.7411 -1.7411 -1.6874 -1.6874 -1.5355 -1.5355 -1.2593 -1.2593 -1.0571 -1.0571 -1.0058 -1.0058 -0.9725 -0.9725 -0.9404 -0.9404 -0.2872 -0.2872 -0.1582 -0.1582 2.7881 2.7881 2.9162 2.9162 4.3118 4.3118 4.8361 4.8361 6.0642 6.0642 6.1629 6.1629 9.0410 9.0410 9.0535 9.0535 10.3686 10.3686 10.8795 10.8795 Writing output data file CaxCdSbx2.save init_run : 0.82s CPU 1.17s WALL ( 1 calls) electrons : 344.03s CPU 349.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.05s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 344.02s CPU 349.76s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.08s WALL ( 290 calls) cegterg : 330.50s CPU 334.64s WALL ( 1094 calls) Called by sum_band: Called by *egterg: h_psi : 155.54s CPU 158.05s WALL ( 20748 calls) s_psi : 12.62s CPU 12.45s WALL ( 20748 calls) g_psi : 0.38s CPU 0.47s WALL ( 19364 calls) cdiaghg : 132.76s CPU 134.14s WALL ( 19654 calls) cegterg:over : 13.27s CPU 13.54s WALL ( 19364 calls) cegterg:upda : 14.88s CPU 14.99s WALL ( 19364 calls) cegterg:last : 5.46s CPU 5.49s WALL ( 2247 calls) cdiaghg:chol : 7.88s CPU 7.61s WALL ( 19654 calls) cdiaghg:inve : 4.69s CPU 4.91s WALL ( 19654 calls) cdiaghg:para : 7.41s CPU 7.58s WALL ( 39308 calls) Called by h_psi: h_psi:vloc : 128.59s CPU 130.65s WALL ( 20748 calls) h_psi:vnl : 26.53s CPU 26.92s WALL ( 20748 calls) add_vuspsi : 13.90s CPU 14.42s WALL ( 20748 calls) General routines calbec : 12.54s CPU 12.44s WALL ( 20748 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 106.74s CPU 108.25s WALL ( 1323948 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.22s WALL ( 580 calls) Parallel routines fft_scatter : 40.06s CPU 40.52s WALL ( 1323971 calls) PWSCF : 6m 1.67s CPU 6m24.77s WALL This run was terminated on: 16:41:10 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=