Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:33: 9 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: ./KTeAu.save/ file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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 62 24 7 5030 1240 195 Max 63 25 8 5039 1267 206 Sum 2245 889 253 181165 45147 7085 bravais-lattice index = 14 lattice parameter (alat) = 8.7797 a.u. unit-cell volume = 1229.2008 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.779667 celldm(2)= 1.000000 celldm(3)= 2.097288 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 2.097288 ) 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 0.476806 ) PseudoPot. # 1 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 K 9.00 39.09830 K( 1.00) Te 6.00 127.60000 Te( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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= 278 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0125000 0.0072169 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0375000 0.0216506 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0625000 0.0360844 -0.0000000), wk = 0.0035971 k( 7) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0875000 0.0505181 -0.0000000), wk = 0.0035971 k( 9) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1125000 0.0649519 -0.0000000), wk = 0.0035971 k( 11) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0035971 k( 12) = ( 0.1375000 0.0793857 -0.0000000), wk = 0.0035971 k( 13) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0035971 k( 14) = ( 0.1625000 0.0938194 -0.0000000), wk = 0.0035971 k( 15) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0035971 k( 16) = ( 0.1875000 0.1082532 -0.0000000), wk = 0.0035971 k( 17) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0035971 k( 18) = ( 0.2125000 0.1226869 -0.0000000), wk = 0.0035971 k( 19) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0035971 k( 20) = ( 0.2375000 0.1371207 -0.0000000), wk = 0.0035971 k( 21) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0035971 k( 22) = ( 0.2625000 0.1515544 -0.0000000), wk = 0.0035971 k( 23) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0035971 k( 24) = ( 0.2875000 0.1659882 -0.0000000), wk = 0.0035971 k( 25) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0035971 k( 26) = ( 0.3125000 0.1804220 -0.0000000), wk = 0.0035971 k( 27) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0035971 k( 28) = ( 0.3375000 0.1948557 -0.0000000), wk = 0.0035971 k( 29) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0035971 k( 30) = ( 0.3625000 0.2092895 -0.0000000), wk = 0.0035971 k( 31) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0035971 k( 32) = ( 0.3875000 0.2237232 -0.0000000), wk = 0.0035971 k( 33) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0035971 k( 34) = ( 0.4125000 0.2381570 -0.0000000), wk = 0.0035971 k( 35) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0035971 k( 36) = ( 0.4375000 0.2525907 -0.0000000), wk = 0.0035971 k( 37) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0035971 k( 38) = ( 0.4625000 0.2670245 -0.0000000), wk = 0.0035971 k( 39) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0035971 k( 40) = ( 0.4875000 0.2814583 -0.0000000), wk = 0.0035971 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 42) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 43) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0035971 k( 44) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0035971 k( 45) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0035971 k( 46) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0035971 k( 47) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0035971 k( 48) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0035971 k( 49) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0035971 k( 50) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0035971 k( 51) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0035971 k( 52) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0035971 k( 53) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0035971 k( 54) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0035971 k( 55) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0035971 k( 56) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0035971 k( 57) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0035971 k( 58) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0035971 k( 59) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0035971 k( 60) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0035971 k( 61) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0035971 k( 62) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0035971 k( 63) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0035971 k( 64) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0035971 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 66) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 67) = ( 0.3260870 0.5647992 -0.0000000), wk = 0.0035971 k( 68) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0035971 k( 69) = ( 0.3115942 0.5396970 -0.0000000), wk = 0.0035971 k( 70) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0035971 k( 71) = ( 0.2971014 0.5145948 -0.0000000), wk = 0.0035971 k( 72) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0035971 k( 73) = ( 0.2826087 0.4894926 -0.0000000), wk = 0.0035971 k( 74) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0035971 k( 75) = ( 0.2681159 0.4643904 -0.0000000), wk = 0.0035971 k( 76) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0035971 k( 77) = ( 0.2536232 0.4392883 -0.0000000), wk = 0.0035971 k( 78) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0035971 k( 79) = ( 0.2391304 0.4141861 -0.0000000), wk = 0.0035971 k( 80) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0035971 k( 81) = ( 0.2246377 0.3890839 -0.0000000), wk = 0.0035971 k( 82) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0035971 k( 83) = ( 0.2101449 0.3639817 -0.0000000), wk = 0.0035971 k( 84) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0035971 k( 85) = ( 0.1956522 0.3388795 -0.0000000), wk = 0.0035971 k( 86) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0035971 k( 87) = ( 0.1811594 0.3137773 -0.0000000), wk = 0.0035971 k( 88) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0035971 k( 89) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0035971 k( 90) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0035971 k( 91) = ( 0.1521739 0.2635729 -0.0000000), wk = 0.0035971 k( 92) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0035971 k( 93) = ( 0.1376812 0.2384708 -0.0000000), wk = 0.0035971 k( 94) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0035971 k( 95) = ( 0.1231884 0.2133686 -0.0000000), wk = 0.0035971 k( 96) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0035971 k( 97) = ( 0.1086957 0.1882664 -0.0000000), wk = 0.0035971 k( 98) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0035971 k( 99) = ( 0.0942029 0.1631642 -0.0000000), wk = 0.0035971 k( 100) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0035971 k( 101) = ( 0.0797101 0.1380620 -0.0000000), wk = 0.0035971 k( 102) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0035971 k( 103) = ( 0.0652174 0.1129598 -0.0000000), wk = 0.0035971 k( 104) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0035971 k( 105) = ( 0.0507246 0.0878577 -0.0000000), wk = 0.0035971 k( 106) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0035971 k( 107) = ( 0.0362319 0.0627555 -0.0000000), wk = 0.0035971 k( 108) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0035971 k( 109) = ( 0.0217391 0.0376533 -0.0000000), wk = 0.0035971 k( 110) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0035971 k( 111) = ( 0.0072464 0.0125511 -0.0000000), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0000000 0.0000000 0.0140237), wk = 0.0035971 k( 115) = ( 0.0000000 0.0000000 0.0280474), wk = 0.0035971 k( 116) = ( 0.0000000 0.0000000 0.0420711), wk = 0.0035971 k( 117) = ( 0.0000000 0.0000000 0.0560949), wk = 0.0035971 k( 118) = ( 0.0000000 0.0000000 0.0701186), wk = 0.0035971 k( 119) = ( 0.0000000 0.0000000 0.0841423), wk = 0.0035971 k( 120) = ( 0.0000000 0.0000000 0.0981660), wk = 0.0035971 k( 121) = ( 0.0000000 0.0000000 0.1121897), wk = 0.0035971 k( 122) = ( 0.0000000 0.0000000 0.1262134), wk = 0.0035971 k( 123) = ( 0.0000000 0.0000000 0.1402371), wk = 0.0035971 k( 124) = ( 0.0000000 0.0000000 0.1542608), wk = 0.0035971 k( 125) = ( 0.0000000 0.0000000 0.1682846), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.1823083), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.1963320), wk = 0.0035971 k( 128) = ( 0.0000000 0.0000000 0.2103557), wk = 0.0035971 k( 129) = ( 0.0000000 0.0000000 0.2243794), wk = 0.0035971 k( 130) = ( 0.0000000 0.0000000 0.2384031), wk = 0.0035971 k( 131) = ( 0.0000000 0.0000000 0.2384031), wk = 0.0035971 k( 132) = ( 0.0125000 0.0072169 0.2384031), wk = 0.0035971 k( 133) = ( 0.0250000 0.0144338 0.2384031), wk = 0.0035971 k( 134) = ( 0.0375000 0.0216506 0.2384031), wk = 0.0035971 k( 135) = ( 0.0500000 0.0288675 0.2384031), wk = 0.0035971 k( 136) = ( 0.0625000 0.0360844 0.2384031), wk = 0.0035971 k( 137) = ( 0.0750000 0.0433013 0.2384031), wk = 0.0035971 k( 138) = ( 0.0875000 0.0505181 0.2384031), wk = 0.0035971 k( 139) = ( 0.1000000 0.0577350 0.2384031), wk = 0.0035971 k( 140) = ( 0.1125000 0.0649519 0.2384031), wk = 0.0035971 k( 141) = ( 0.1250000 0.0721688 0.2384031), wk = 0.0035971 k( 142) = ( 0.1375000 0.0793857 0.2384031), wk = 0.0035971 k( 143) = ( 0.1500000 0.0866025 0.2384031), wk = 0.0035971 k( 144) = ( 0.1625000 0.0938194 0.2384031), wk = 0.0035971 k( 145) = ( 0.1750000 0.1010363 0.2384031), wk = 0.0035971 k( 146) = ( 0.1875000 0.1082532 0.2384031), wk = 0.0035971 k( 147) = ( 0.2000000 0.1154701 0.2384031), wk = 0.0035971 k( 148) = ( 0.2125000 0.1226869 0.2384031), wk = 0.0035971 k( 149) = ( 0.2250000 0.1299038 0.2384031), wk = 0.0035971 k( 150) = ( 0.2375000 0.1371207 0.2384031), wk = 0.0035971 k( 151) = ( 0.2500000 0.1443376 0.2384031), wk = 0.0035971 k( 152) = ( 0.2625000 0.1515544 0.2384031), wk = 0.0035971 k( 153) = ( 0.2750000 0.1587713 0.2384031), wk = 0.0035971 k( 154) = ( 0.2875000 0.1659882 0.2384031), wk = 0.0035971 k( 155) = ( 0.3000000 0.1732051 0.2384031), wk = 0.0035971 k( 156) = ( 0.3125000 0.1804220 0.2384031), wk = 0.0035971 k( 157) = ( 0.3250000 0.1876388 0.2384031), wk = 0.0035971 k( 158) = ( 0.3375000 0.1948557 0.2384031), wk = 0.0035971 k( 159) = ( 0.3500000 0.2020726 0.2384031), wk = 0.0035971 k( 160) = ( 0.3625000 0.2092895 0.2384031), wk = 0.0035971 k( 161) = ( 0.3750000 0.2165064 0.2384031), wk = 0.0035971 k( 162) = ( 0.3875000 0.2237232 0.2384031), wk = 0.0035971 k( 163) = ( 0.4000000 0.2309401 0.2384031), wk = 0.0035971 k( 164) = ( 0.4125000 0.2381570 0.2384031), wk = 0.0035971 k( 165) = ( 0.4250000 0.2453739 0.2384031), wk = 0.0035971 k( 166) = ( 0.4375000 0.2525907 0.2384031), wk = 0.0035971 k( 167) = ( 0.4500000 0.2598076 0.2384031), wk = 0.0035971 k( 168) = ( 0.4625000 0.2670245 0.2384031), wk = 0.0035971 k( 169) = ( 0.4750000 0.2742414 0.2384031), wk = 0.0035971 k( 170) = ( 0.4875000 0.2814583 0.2384031), wk = 0.0035971 k( 171) = ( 0.5000000 0.2886751 0.2384031), wk = 0.0035971 k( 172) = ( 0.5000000 0.2886751 0.2384031), wk = 0.0035971 k( 173) = ( 0.4927536 0.3012262 0.2384031), wk = 0.0035971 k( 174) = ( 0.4855073 0.3137773 0.2384031), wk = 0.0035971 k( 175) = ( 0.4782609 0.3263284 0.2384031), wk = 0.0035971 k( 176) = ( 0.4710145 0.3388795 0.2384031), wk = 0.0035971 k( 177) = ( 0.4637681 0.3514306 0.2384031), wk = 0.0035971 k( 178) = ( 0.4565217 0.3639817 0.2384031), wk = 0.0035971 k( 179) = ( 0.4492754 0.3765328 0.2384031), wk = 0.0035971 k( 180) = ( 0.4420290 0.3890839 0.2384031), wk = 0.0035971 k( 181) = ( 0.4347826 0.4016350 0.2384031), wk = 0.0035971 k( 182) = ( 0.4275362 0.4141861 0.2384031), wk = 0.0035971 k( 183) = ( 0.4202899 0.4267372 0.2384031), wk = 0.0035971 k( 184) = ( 0.4130435 0.4392882 0.2384031), wk = 0.0035971 k( 185) = ( 0.4057971 0.4518393 0.2384031), wk = 0.0035971 k( 186) = ( 0.3985507 0.4643904 0.2384031), wk = 0.0035971 k( 187) = ( 0.3913044 0.4769415 0.2384031), wk = 0.0035971 k( 188) = ( 0.3840580 0.4894926 0.2384031), wk = 0.0035971 k( 189) = ( 0.3768116 0.5020437 0.2384031), wk = 0.0035971 k( 190) = ( 0.3695652 0.5145948 0.2384031), wk = 0.0035971 k( 191) = ( 0.3623188 0.5271459 0.2384031), wk = 0.0035971 k( 192) = ( 0.3550725 0.5396970 0.2384031), wk = 0.0035971 k( 193) = ( 0.3478261 0.5522481 0.2384031), wk = 0.0035971 k( 194) = ( 0.3405797 0.5647992 0.2384031), wk = 0.0035971 k( 195) = ( 0.3333333 0.5773503 0.2384031), wk = 0.0035971 k( 196) = ( 0.3333333 0.5773503 0.2384031), wk = 0.0035971 k( 197) = ( 0.3260870 0.5647992 0.2384031), wk = 0.0035971 k( 198) = ( 0.3188406 0.5522481 0.2384031), wk = 0.0035971 k( 199) = ( 0.3115942 0.5396970 0.2384031), wk = 0.0035971 k( 200) = ( 0.3043478 0.5271459 0.2384031), wk = 0.0035971 k( 201) = ( 0.2971014 0.5145948 0.2384031), wk = 0.0035971 k( 202) = ( 0.2898551 0.5020437 0.2384031), wk = 0.0035971 k( 203) = ( 0.2826087 0.4894926 0.2384031), wk = 0.0035971 k( 204) = ( 0.2753623 0.4769415 0.2384031), wk = 0.0035971 k( 205) = ( 0.2681159 0.4643904 0.2384031), wk = 0.0035971 k( 206) = ( 0.2608696 0.4518393 0.2384031), wk = 0.0035971 k( 207) = ( 0.2536232 0.4392883 0.2384031), wk = 0.0035971 k( 208) = ( 0.2463768 0.4267372 0.2384031), wk = 0.0035971 k( 209) = ( 0.2391304 0.4141861 0.2384031), wk = 0.0035971 k( 210) = ( 0.2318841 0.4016350 0.2384031), wk = 0.0035971 k( 211) = ( 0.2246377 0.3890839 0.2384031), wk = 0.0035971 k( 212) = ( 0.2173913 0.3765328 0.2384031), wk = 0.0035971 k( 213) = ( 0.2101449 0.3639817 0.2384031), wk = 0.0035971 k( 214) = ( 0.2028986 0.3514306 0.2384031), wk = 0.0035971 k( 215) = ( 0.1956522 0.3388795 0.2384031), wk = 0.0035971 k( 216) = ( 0.1884058 0.3263284 0.2384031), wk = 0.0035971 k( 217) = ( 0.1811594 0.3137773 0.2384031), wk = 0.0035971 k( 218) = ( 0.1739130 0.3012262 0.2384031), wk = 0.0035971 k( 219) = ( 0.1666667 0.2886751 0.2384031), wk = 0.0035971 k( 220) = ( 0.1594203 0.2761240 0.2384031), wk = 0.0035971 k( 221) = ( 0.1521739 0.2635729 0.2384031), wk = 0.0035971 k( 222) = ( 0.1449275 0.2510219 0.2384031), wk = 0.0035971 k( 223) = ( 0.1376812 0.2384708 0.2384031), wk = 0.0035971 k( 224) = ( 0.1304348 0.2259197 0.2384031), wk = 0.0035971 k( 225) = ( 0.1231884 0.2133686 0.2384031), wk = 0.0035971 k( 226) = ( 0.1159420 0.2008175 0.2384031), wk = 0.0035971 k( 227) = ( 0.1086957 0.1882664 0.2384031), wk = 0.0035971 k( 228) = ( 0.1014493 0.1757153 0.2384031), wk = 0.0035971 k( 229) = ( 0.0942029 0.1631642 0.2384031), wk = 0.0035971 k( 230) = ( 0.0869565 0.1506131 0.2384031), wk = 0.0035971 k( 231) = ( 0.0797101 0.1380620 0.2384031), wk = 0.0035971 k( 232) = ( 0.0724638 0.1255109 0.2384031), wk = 0.0035971 k( 233) = ( 0.0652174 0.1129598 0.2384031), wk = 0.0035971 k( 234) = ( 0.0579710 0.1004087 0.2384031), wk = 0.0035971 k( 235) = ( 0.0507246 0.0878577 0.2384031), wk = 0.0035971 k( 236) = ( 0.0434783 0.0753066 0.2384031), wk = 0.0035971 k( 237) = ( 0.0362319 0.0627555 0.2384031), wk = 0.0035971 k( 238) = ( 0.0289855 0.0502044 0.2384031), wk = 0.0035971 k( 239) = ( 0.0217391 0.0376533 0.2384031), wk = 0.0035971 k( 240) = ( 0.0144928 0.0251022 0.2384031), wk = 0.0035971 k( 241) = ( 0.0072464 0.0125511 0.2384031), wk = 0.0035971 k( 242) = ( 0.0000000 0.0000000 0.2384031), wk = 0.0035971 k( 243) = ( 0.5000000 0.2886751 0.2384031), wk = 0.0035971 k( 244) = ( 0.5000000 0.2886751 0.2243794), wk = 0.0035971 k( 245) = ( 0.5000000 0.2886751 0.2103557), wk = 0.0035971 k( 246) = ( 0.5000000 0.2886751 0.1963320), wk = 0.0035971 k( 247) = ( 0.5000000 0.2886751 0.1823083), wk = 0.0035971 k( 248) = ( 0.5000000 0.2886751 0.1682846), wk = 0.0035971 k( 249) = ( 0.5000000 0.2886751 0.1542608), wk = 0.0035971 k( 250) = ( 0.5000000 0.2886751 0.1402371), wk = 0.0035971 k( 251) = ( 0.5000000 0.2886751 0.1262134), wk = 0.0035971 k( 252) = ( 0.5000000 0.2886751 0.1121897), wk = 0.0035971 k( 253) = ( 0.5000000 0.2886751 0.0981660), wk = 0.0035971 k( 254) = ( 0.5000000 0.2886751 0.0841423), wk = 0.0035971 k( 255) = ( 0.5000000 0.2886751 0.0701186), wk = 0.0035971 k( 256) = ( 0.5000000 0.2886751 0.0560949), wk = 0.0035971 k( 257) = ( 0.5000000 0.2886751 0.0420711), wk = 0.0035971 k( 258) = ( 0.5000000 0.2886751 0.0280474), wk = 0.0035971 k( 259) = ( 0.5000000 0.2886751 0.0140237), wk = 0.0035971 k( 260) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0035971 k( 261) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0035971 k( 262) = ( 0.3333333 0.5773503 0.0140237), wk = 0.0035971 k( 263) = ( 0.3333333 0.5773503 0.0280474), wk = 0.0035971 k( 264) = ( 0.3333333 0.5773503 0.0420711), wk = 0.0035971 k( 265) = ( 0.3333333 0.5773503 0.0560949), wk = 0.0035971 k( 266) = ( 0.3333333 0.5773503 0.0701186), wk = 0.0035971 k( 267) = ( 0.3333333 0.5773503 0.0841423), wk = 0.0035971 k( 268) = ( 0.3333333 0.5773503 0.0981660), wk = 0.0035971 k( 269) = ( 0.3333333 0.5773503 0.1121897), wk = 0.0035971 k( 270) = ( 0.3333333 0.5773503 0.1262134), wk = 0.0035971 k( 271) = ( 0.3333333 0.5773503 0.1402371), wk = 0.0035971 k( 272) = ( 0.3333333 0.5773503 0.1542608), wk = 0.0035971 k( 273) = ( 0.3333333 0.5773503 0.1682846), wk = 0.0035971 k( 274) = ( 0.3333333 0.5773503 0.1823083), wk = 0.0035971 k( 275) = ( 0.3333333 0.5773503 0.1963320), wk = 0.0035971 k( 276) = ( 0.3333333 0.5773503 0.2103557), wk = 0.0035971 k( 277) = ( 0.3333333 0.5773503 0.2243794), wk = 0.0035971 k( 278) = ( 0.3333333 0.5773503 0.2384031), wk = 0.0035971 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 2) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0035971 k( 3) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0035971 k( 4) = ( 0.0375000 0.0000000 -0.0000000), wk = 0.0035971 k( 5) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0035971 k( 6) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0035971 k( 7) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0035971 k( 8) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0035971 k( 9) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0035971 k( 10) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0035971 k( 11) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0035971 k( 12) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0035971 k( 13) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0035971 k( 14) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0035971 k( 15) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0035971 k( 16) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0035971 k( 17) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0035971 k( 18) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0035971 k( 19) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0035971 k( 20) = ( 0.2375000 0.0000000 0.0000000), wk = 0.0035971 k( 21) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0035971 k( 22) = ( 0.2625000 0.0000000 -0.0000000), wk = 0.0035971 k( 23) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0035971 k( 24) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0035971 k( 25) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0035971 k( 26) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0035971 k( 27) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0035971 k( 28) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0035971 k( 29) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0035971 k( 30) = ( 0.3625000 -0.0000000 0.0000000), wk = 0.0035971 k( 31) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0035971 k( 32) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0035971 k( 33) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0035971 k( 34) = ( 0.4125000 0.0000000 -0.0000000), wk = 0.0035971 k( 35) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0035971 k( 36) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0035971 k( 37) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0035971 k( 38) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0035971 k( 39) = ( 0.4750000 0.0000000 0.0000000), wk = 0.0035971 k( 40) = ( 0.4875000 -0.0000000 0.0000000), wk = 0.0035971 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 42) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 43) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0035971 k( 44) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0035971 k( 45) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0035971 k( 46) = ( 0.4710145 0.0579710 0.0000000), wk = 0.0035971 k( 47) = ( 0.4637681 0.0724638 -0.0000000), wk = 0.0035971 k( 48) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0035971 k( 49) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0035971 k( 50) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0035971 k( 51) = ( 0.4347826 0.1304348 0.0000000), wk = 0.0035971 k( 52) = ( 0.4275362 0.1449275 0.0000000), wk = 0.0035971 k( 53) = ( 0.4202899 0.1594203 0.0000000), wk = 0.0035971 k( 54) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0035971 k( 55) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0035971 k( 56) = ( 0.3985507 0.2028986 -0.0000000), wk = 0.0035971 k( 57) = ( 0.3913044 0.2173913 0.0000000), wk = 0.0035971 k( 58) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0035971 k( 59) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0035971 k( 60) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0035971 k( 61) = ( 0.3623188 0.2753623 0.0000000), wk = 0.0035971 k( 62) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0035971 k( 63) = ( 0.3478261 0.3043478 0.0000000), wk = 0.0035971 k( 64) = ( 0.3405797 0.3188406 0.0000000), wk = 0.0035971 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 66) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 67) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0035971 k( 68) = ( 0.3188406 0.3188406 -0.0000000), wk = 0.0035971 k( 69) = ( 0.3115942 0.3115942 0.0000000), wk = 0.0035971 k( 70) = ( 0.3043478 0.3043478 -0.0000000), wk = 0.0035971 k( 71) = ( 0.2971014 0.2971015 0.0000000), wk = 0.0035971 k( 72) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0035971 k( 73) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0035971 k( 74) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0035971 k( 75) = ( 0.2681159 0.2681159 -0.0000000), wk = 0.0035971 k( 76) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0035971 k( 77) = ( 0.2536232 0.2536232 0.0000000), wk = 0.0035971 k( 78) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0035971 k( 79) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0035971 k( 80) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0035971 k( 81) = ( 0.2246377 0.2246377 0.0000000), wk = 0.0035971 k( 82) = ( 0.2173913 0.2173913 -0.0000000), wk = 0.0035971 k( 83) = ( 0.2101449 0.2101449 0.0000000), wk = 0.0035971 k( 84) = ( 0.2028986 0.2028986 0.0000000), wk = 0.0035971 k( 85) = ( 0.1956522 0.1956522 -0.0000000), wk = 0.0035971 k( 86) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0035971 k( 87) = ( 0.1811594 0.1811594 0.0000000), wk = 0.0035971 k( 88) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0035971 k( 89) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0035971 k( 90) = ( 0.1594203 0.1594203 -0.0000000), wk = 0.0035971 k( 91) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0035971 k( 92) = ( 0.1449275 0.1449275 0.0000000), wk = 0.0035971 k( 93) = ( 0.1376812 0.1376812 0.0000000), wk = 0.0035971 k( 94) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0035971 k( 95) = ( 0.1231884 0.1231884 -0.0000000), wk = 0.0035971 k( 96) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0035971 k( 97) = ( 0.1086957 0.1086957 -0.0000000), wk = 0.0035971 k( 98) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0035971 k( 99) = ( 0.0942029 0.0942029 0.0000000), wk = 0.0035971 k( 100) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0035971 k( 101) = ( 0.0797101 0.0797101 0.0000000), wk = 0.0035971 k( 102) = ( 0.0724638 0.0724638 0.0000000), wk = 0.0035971 k( 103) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0035971 k( 104) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0035971 k( 105) = ( 0.0507246 0.0507246 0.0000000), wk = 0.0035971 k( 106) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0035971 k( 107) = ( 0.0362319 0.0362319 0.0000000), wk = 0.0035971 k( 108) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0035971 k( 109) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0035971 k( 110) = ( 0.0144928 0.0144928 0.0000000), wk = 0.0035971 k( 111) = ( 0.0072464 0.0072464 0.0000000), wk = 0.0035971 k( 112) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 113) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035971 k( 114) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0035971 k( 115) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0035971 k( 116) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0035971 k( 117) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0035971 k( 118) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0035971 k( 119) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0035971 k( 120) = ( 0.0000000 0.0000000 0.2058824), wk = 0.0035971 k( 121) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0035971 k( 122) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0035971 k( 123) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0035971 k( 124) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0035971 k( 125) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0035971 k( 126) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0035971 k( 127) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0035971 k( 128) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0035971 k( 129) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0035971 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 132) = ( 0.0125000 -0.0000000 0.5000000), wk = 0.0035971 k( 133) = ( 0.0250000 -0.0000000 0.5000000), wk = 0.0035971 k( 134) = ( 0.0375000 0.0000000 0.5000000), wk = 0.0035971 k( 135) = ( 0.0500000 -0.0000000 0.5000000), wk = 0.0035971 k( 136) = ( 0.0625000 0.0000000 0.5000000), wk = 0.0035971 k( 137) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0035971 k( 138) = ( 0.0875000 0.0000000 0.5000000), wk = 0.0035971 k( 139) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0035971 k( 140) = ( 0.1125000 0.0000000 0.5000000), wk = 0.0035971 k( 141) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0035971 k( 142) = ( 0.1375000 0.0000000 0.5000000), wk = 0.0035971 k( 143) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0035971 k( 144) = ( 0.1625000 0.0000000 0.5000000), wk = 0.0035971 k( 145) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0035971 k( 146) = ( 0.1875000 0.0000000 0.5000000), wk = 0.0035971 k( 147) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0035971 k( 148) = ( 0.2125000 -0.0000000 0.5000000), wk = 0.0035971 k( 149) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0035971 k( 150) = ( 0.2375000 0.0000000 0.5000000), wk = 0.0035971 k( 151) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0035971 k( 152) = ( 0.2625000 0.0000000 0.5000000), wk = 0.0035971 k( 153) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0035971 k( 154) = ( 0.2875000 -0.0000000 0.5000000), wk = 0.0035971 k( 155) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0035971 k( 156) = ( 0.3125000 -0.0000000 0.5000000), wk = 0.0035971 k( 157) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0035971 k( 158) = ( 0.3375000 -0.0000000 0.5000000), wk = 0.0035971 k( 159) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0035971 k( 160) = ( 0.3625000 -0.0000000 0.5000000), wk = 0.0035971 k( 161) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0035971 k( 162) = ( 0.3875000 0.0000000 0.5000000), wk = 0.0035971 k( 163) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0035971 k( 164) = ( 0.4125000 0.0000000 0.5000000), wk = 0.0035971 k( 165) = ( 0.4250000 -0.0000000 0.5000000), wk = 0.0035971 k( 166) = ( 0.4375000 0.0000000 0.5000000), wk = 0.0035971 k( 167) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0035971 k( 168) = ( 0.4625000 -0.0000000 0.5000000), wk = 0.0035971 k( 169) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0035971 k( 170) = ( 0.4875000 -0.0000000 0.5000000), wk = 0.0035971 k( 171) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 172) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 173) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0035971 k( 174) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0035971 k( 175) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0035971 k( 176) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0035971 k( 177) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0035971 k( 178) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0035971 k( 179) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0035971 k( 180) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0035971 k( 181) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0035971 k( 182) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0035971 k( 183) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0035971 k( 184) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0035971 k( 185) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0035971 k( 186) = ( 0.3985507 0.2028986 0.5000000), wk = 0.0035971 k( 187) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0035971 k( 188) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0035971 k( 189) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0035971 k( 190) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0035971 k( 191) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0035971 k( 192) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0035971 k( 193) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0035971 k( 194) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0035971 k( 195) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 k( 196) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 k( 197) = ( 0.3260870 0.3260870 0.5000000), wk = 0.0035971 k( 198) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0035971 k( 199) = ( 0.3115942 0.3115942 0.5000000), wk = 0.0035971 k( 200) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0035971 k( 201) = ( 0.2971014 0.2971015 0.5000000), wk = 0.0035971 k( 202) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0035971 k( 203) = ( 0.2826087 0.2826087 0.5000000), wk = 0.0035971 k( 204) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0035971 k( 205) = ( 0.2681159 0.2681159 0.5000000), wk = 0.0035971 k( 206) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0035971 k( 207) = ( 0.2536232 0.2536232 0.5000000), wk = 0.0035971 k( 208) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0035971 k( 209) = ( 0.2391304 0.2391304 0.5000000), wk = 0.0035971 k( 210) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0035971 k( 211) = ( 0.2246377 0.2246377 0.5000000), wk = 0.0035971 k( 212) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0035971 k( 213) = ( 0.2101449 0.2101449 0.5000000), wk = 0.0035971 k( 214) = ( 0.2028986 0.2028986 0.5000000), wk = 0.0035971 k( 215) = ( 0.1956522 0.1956522 0.5000000), wk = 0.0035971 k( 216) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0035971 k( 217) = ( 0.1811594 0.1811594 0.5000000), wk = 0.0035971 k( 218) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0035971 k( 219) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0035971 k( 220) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0035971 k( 221) = ( 0.1521739 0.1521739 0.5000000), wk = 0.0035971 k( 222) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0035971 k( 223) = ( 0.1376812 0.1376812 0.5000000), wk = 0.0035971 k( 224) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0035971 k( 225) = ( 0.1231884 0.1231884 0.5000000), wk = 0.0035971 k( 226) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0035971 k( 227) = ( 0.1086957 0.1086957 0.5000000), wk = 0.0035971 k( 228) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0035971 k( 229) = ( 0.0942029 0.0942029 0.5000000), wk = 0.0035971 k( 230) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0035971 k( 231) = ( 0.0797101 0.0797101 0.5000000), wk = 0.0035971 k( 232) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0035971 k( 233) = ( 0.0652174 0.0652174 0.5000000), wk = 0.0035971 k( 234) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0035971 k( 235) = ( 0.0507246 0.0507246 0.5000000), wk = 0.0035971 k( 236) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0035971 k( 237) = ( 0.0362319 0.0362319 0.5000000), wk = 0.0035971 k( 238) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0035971 k( 239) = ( 0.0217391 0.0217391 0.5000000), wk = 0.0035971 k( 240) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0035971 k( 241) = ( 0.0072464 0.0072464 0.5000000), wk = 0.0035971 k( 242) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0035971 k( 243) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0035971 k( 244) = ( 0.5000000 0.0000000 0.4705882), wk = 0.0035971 k( 245) = ( 0.5000000 0.0000000 0.4411765), wk = 0.0035971 k( 246) = ( 0.5000000 0.0000000 0.4117647), wk = 0.0035971 k( 247) = ( 0.5000000 0.0000000 0.3823529), wk = 0.0035971 k( 248) = ( 0.5000000 0.0000000 0.3529412), wk = 0.0035971 k( 249) = ( 0.5000000 0.0000000 0.3235294), wk = 0.0035971 k( 250) = ( 0.5000000 0.0000000 0.2941177), wk = 0.0035971 k( 251) = ( 0.5000000 0.0000000 0.2647059), wk = 0.0035971 k( 252) = ( 0.5000000 0.0000000 0.2352941), wk = 0.0035971 k( 253) = ( 0.5000000 0.0000000 0.2058824), wk = 0.0035971 k( 254) = ( 0.5000000 0.0000000 0.1764706), wk = 0.0035971 k( 255) = ( 0.5000000 0.0000000 0.1470588), wk = 0.0035971 k( 256) = ( 0.5000000 0.0000000 0.1176471), wk = 0.0035971 k( 257) = ( 0.5000000 0.0000000 0.0882353), wk = 0.0035971 k( 258) = ( 0.5000000 0.0000000 0.0588235), wk = 0.0035971 k( 259) = ( 0.5000000 0.0000000 0.0294118), wk = 0.0035971 k( 260) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0035971 k( 261) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0035971 k( 262) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0035971 k( 263) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0035971 k( 264) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0035971 k( 265) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0035971 k( 266) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0035971 k( 267) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0035971 k( 268) = ( 0.3333333 0.3333333 0.2058824), wk = 0.0035971 k( 269) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0035971 k( 270) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0035971 k( 271) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0035971 k( 272) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0035971 k( 273) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0035971 k( 274) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0035971 k( 275) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0035971 k( 276) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0035971 k( 277) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0035971 k( 278) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0035971 Dense grid: 181165 G-vectors FFT dimensions: ( 60, 60, 125) Smooth grid: 45147 G-vectors FFT dimensions: ( 40, 40, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.31 Mb ( 330, 62) NL pseudopotentials 0.51 Mb ( 165, 204) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5035) G-vector shells 0.02 Mb ( 2428) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.25 Mb ( 330, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./KTeAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.7 secs Computing kpt #: 2 total cpu time spent up to now is 6.0 secs Computing kpt #: 3 total cpu time spent up to now is 7.1 secs Computing kpt #: 4 total cpu time spent up to now is 8.3 secs Computing kpt #: 5 total cpu time spent up to now is 9.5 secs Computing kpt #: 6 total cpu time spent up to now is 10.6 secs Computing kpt #: 7 total cpu time spent up to now is 11.9 secs Computing kpt #: 8 total cpu time spent up to now is 13.1 secs Computing kpt #: 9 total cpu time spent up to now is 14.2 secs Computing kpt #: 10 total cpu time spent up to now is 15.3 secs Computing kpt #: 11 total cpu time spent up to now is 16.5 secs Computing kpt #: 12 total cpu time spent up to now is 17.6 secs Computing kpt #: 13 total cpu time spent up to now is 18.6 secs Computing kpt #: 14 total cpu time spent up to now is 19.6 secs Computing kpt #: 15 total cpu time spent up to now is 20.6 secs Computing kpt #: 16 total cpu time spent up to now is 21.5 secs Computing kpt #: 17 total cpu time spent up to now is 22.4 secs Computing kpt #: 18 total cpu time spent up to now is 23.4 secs Computing kpt #: 19 total cpu time spent up to now is 24.3 secs Computing kpt #: 20 total cpu time spent up to now is 25.2 secs Computing kpt #: 21 total cpu time spent up to now is 26.1 secs Computing kpt #: 22 total cpu time spent up to now is 27.1 secs Computing kpt #: 23 total cpu time spent up to now is 28.0 secs Computing kpt #: 24 total cpu time spent up to now is 28.9 secs Computing kpt #: 25 total cpu time spent up to now is 29.8 secs Computing kpt #: 26 total cpu time spent up to now is 30.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.6 secs Computing kpt #: 28 total cpu time spent up to now is 32.5 secs Computing kpt #: 29 total cpu time spent up to now is 33.4 secs Computing kpt #: 30 total cpu time spent up to now is 34.3 secs Computing kpt #: 31 total cpu time spent up to now is 35.2 secs Computing kpt #: 32 total cpu time spent up to now is 36.1 secs Computing kpt #: 33 total cpu time spent up to now is 36.9 secs Computing kpt #: 34 total cpu time spent up to now is 37.8 secs Computing kpt #: 35 total cpu time spent up to now is 38.7 secs Computing kpt #: 36 total cpu time spent up to now is 39.6 secs Computing kpt #: 37 total cpu time spent up to now is 40.5 secs Computing kpt #: 38 total cpu time spent up to now is 41.4 secs Computing kpt #: 39 total cpu time spent up to now is 42.3 secs Computing kpt #: 40 total cpu time spent up to now is 43.1 secs Computing kpt #: 41 total cpu time spent up to now is 44.0 secs Computing kpt #: 42 total cpu time spent up to now is 44.8 secs Computing kpt #: 43 total cpu time spent up to now is 45.7 secs Computing kpt #: 44 total cpu time spent up to now is 46.6 secs Computing kpt #: 45 total cpu time spent up to now is 47.5 secs Computing kpt #: 46 total cpu time spent up to now is 48.3 secs Computing kpt #: 47 total cpu time spent up to now is 49.2 secs Computing kpt #: 48 total cpu time spent up to now is 50.1 secs Computing kpt #: 49 total cpu time spent up to now is 51.0 secs Computing kpt #: 50 total cpu time spent up to now is 51.9 secs Computing kpt #: 51 total cpu time spent up to now is 52.8 secs Computing kpt #: 52 total cpu time spent up to now is 53.7 secs Computing kpt #: 53 total cpu time spent up to now is 54.7 secs Computing kpt #: 54 total cpu time spent up to now is 55.6 secs Computing kpt #: 55 total cpu time spent up to now is 56.6 secs Computing kpt #: 56 total cpu time spent up to now is 57.8 secs Computing kpt #: 57 total cpu time spent up to now is 59.4 secs Computing kpt #: 58 total cpu time spent up to now is 60.8 secs Computing kpt #: 59 total cpu time spent up to now is 62.1 secs Computing kpt #: 60 total cpu time spent up to now is 63.3 secs Computing kpt #: 61 total cpu time spent up to now is 64.5 secs Computing kpt #: 62 total cpu time spent up to now is 65.7 secs Computing kpt #: 63 total cpu time spent up to now is 66.8 secs Computing kpt #: 64 total cpu time spent up to now is 67.8 secs Computing kpt #: 65 total cpu time spent up to now is 68.9 secs Computing kpt #: 66 total cpu time spent up to now is 69.9 secs Computing kpt #: 67 total cpu time spent up to now is 70.9 secs Computing kpt #: 68 total cpu time spent up to now is 71.9 secs Computing kpt #: 69 total cpu time spent up to now is 73.0 secs Computing kpt #: 70 total cpu time spent up to now is 74.2 secs Computing kpt #: 71 total cpu time spent up to now is 75.4 secs Computing kpt #: 72 total cpu time spent up to now is 76.9 secs Computing kpt #: 73 total cpu time spent up to now is 78.7 secs Computing kpt #: 74 total cpu time spent up to now is 80.5 secs Computing kpt #: 75 total cpu time spent up to now is 81.8 secs Computing kpt #: 76 total cpu time spent up to now is 83.0 secs Computing kpt #: 77 total cpu time spent up to now is 84.2 secs Computing kpt #: 78 total cpu time spent up to now is 85.3 secs Computing kpt #: 79 total cpu time spent up to now is 86.4 secs Computing kpt #: 80 total cpu time spent up to now is 87.5 secs Computing kpt #: 81 total cpu time spent up to now is 88.5 secs Computing kpt #: 82 total cpu time spent up to now is 89.6 secs Computing kpt #: 83 total cpu time spent up to now is 90.7 secs Computing kpt #: 84 total cpu time spent up to now is 91.7 secs Computing kpt #: 85 total cpu time spent up to now is 92.7 secs Computing kpt #: 86 total cpu time spent up to now is 93.8 secs Computing kpt #: 87 total cpu time spent up to now is 94.8 secs Computing kpt #: 88 total cpu time spent up to now is 95.9 secs Computing kpt #: 89 total cpu time spent up to now is 96.9 secs Computing kpt #: 90 total cpu time spent up to now is 97.9 secs Computing kpt #: 91 total cpu time spent up to now is 98.8 secs Computing kpt #: 92 total cpu time spent up to now is 99.8 secs Computing kpt #: 93 total cpu time spent up to now is 100.8 secs Computing kpt #: 94 total cpu time spent up to now is 101.8 secs Computing kpt #: 95 total cpu time spent up to now is 102.7 secs Computing kpt #: 96 total cpu time spent up to now is 103.7 secs Computing kpt #: 97 total cpu time spent up to now is 104.7 secs Computing kpt #: 98 total cpu time spent up to now is 105.7 secs Computing kpt #: 99 total cpu time spent up to now is 106.7 secs Computing kpt #: 100 total cpu time spent up to now is 107.7 secs Computing kpt #: 101 total cpu time spent up to now is 108.8 secs Computing kpt #: 102 total cpu time spent up to now is 109.9 secs Computing kpt #: 103 total cpu time spent up to now is 111.0 secs Computing kpt #: 104 total cpu time spent up to now is 112.1 secs Computing kpt #: 105 total cpu time spent up to now is 113.3 secs Computing kpt #: 106 total cpu time spent up to now is 114.4 secs Computing kpt #: 107 total cpu time spent up to now is 115.6 secs Computing kpt #: 108 total cpu time spent up to now is 116.7 secs Computing kpt #: 109 total cpu time spent up to now is 117.7 secs Computing kpt #: 110 total cpu time spent up to now is 119.1 secs Computing kpt #: 111 total cpu time spent up to now is 120.2 secs Computing kpt #: 112 total cpu time spent up to now is 121.4 secs Computing kpt #: 113 total cpu time spent up to now is 122.7 secs Computing kpt #: 114 total cpu time spent up to now is 124.1 secs Computing kpt #: 115 total cpu time spent up to now is 125.5 secs Computing kpt #: 116 total cpu time spent up to now is 126.8 secs Computing kpt #: 117 total cpu time spent up to now is 128.0 secs Computing kpt #: 118 total cpu time spent up to now is 129.5 secs Computing kpt #: 119 total cpu time spent up to now is 131.1 secs Computing kpt #: 120 total cpu time spent up to now is 132.7 secs Computing kpt #: 121 total cpu time spent up to now is 134.0 secs Computing kpt #: 122 total cpu time spent up to now is 135.2 secs Computing kpt #: 123 total cpu time spent up to now is 136.3 secs Computing kpt #: 124 total cpu time spent up to now is 137.5 secs Computing kpt #: 125 total cpu time spent up to now is 138.8 secs Computing kpt #: 126 total cpu time spent up to now is 140.1 secs Computing kpt #: 127 total cpu time spent up to now is 141.4 secs Computing kpt #: 128 total cpu time spent up to now is 142.7 secs Computing kpt #: 129 total cpu time spent up to now is 144.3 secs Computing kpt #: 130 total cpu time spent up to now is 145.3 secs Computing kpt #: 131 total cpu time spent up to now is 146.2 secs Computing kpt #: 132 total cpu time spent up to now is 147.1 secs Computing kpt #: 133 total cpu time spent up to now is 148.1 secs Computing kpt #: 134 total cpu time spent up to now is 149.0 secs Computing kpt #: 135 total cpu time spent up to now is 150.0 secs Computing kpt #: 136 total cpu time spent up to now is 151.0 secs Computing kpt #: 137 total cpu time spent up to now is 152.0 secs Computing kpt #: 138 total cpu time spent up to now is 152.9 secs Computing kpt #: 139 total cpu time spent up to now is 153.9 secs Computing kpt #: 140 total cpu time spent up to now is 154.9 secs Computing kpt #: 141 total cpu time spent up to now is 155.8 secs Computing kpt #: 142 total cpu time spent up to now is 156.8 secs Computing kpt #: 143 total cpu time spent up to now is 157.7 secs Computing kpt #: 144 total cpu time spent up to now is 158.7 secs Computing kpt #: 145 total cpu time spent up to now is 159.7 secs Computing kpt #: 146 total cpu time spent up to now is 160.6 secs Computing kpt #: 147 total cpu time spent up to now is 161.6 secs Computing kpt #: 148 total cpu time spent up to now is 162.6 secs Computing kpt #: 149 total cpu time spent up to now is 163.6 secs Computing kpt #: 150 total cpu time spent up to now is 164.5 secs Computing kpt #: 151 total cpu time spent up to now is 165.5 secs Computing kpt #: 152 total cpu time spent up to now is 166.5 secs Computing kpt #: 153 total cpu time spent up to now is 167.5 secs Computing kpt #: 154 total cpu time spent up to now is 168.4 secs Computing kpt #: 155 total cpu time spent up to now is 169.4 secs Computing kpt #: 156 total cpu time spent up to now is 170.4 secs Computing kpt #: 157 total cpu time spent up to now is 171.4 secs Computing kpt #: 158 total cpu time spent up to now is 172.4 secs Computing kpt #: 159 total cpu time spent up to now is 173.4 secs Computing kpt #: 160 total cpu time spent up to now is 174.4 secs Computing kpt #: 161 total cpu time spent up to now is 175.4 secs Computing kpt #: 162 total cpu time spent up to now is 176.4 secs Computing kpt #: 163 total cpu time spent up to now is 177.5 secs Computing kpt #: 164 total cpu time spent up to now is 178.5 secs Computing kpt #: 165 total cpu time spent up to now is 179.5 secs Computing kpt #: 166 total cpu time spent up to now is 180.5 secs Computing kpt #: 167 total cpu time spent up to now is 181.5 secs Computing kpt #: 168 total cpu time spent up to now is 182.6 secs Computing kpt #: 169 total cpu time spent up to now is 183.8 secs Computing kpt #: 170 total cpu time spent up to now is 184.9 secs Computing kpt #: 171 total cpu time spent up to now is 186.1 secs Computing kpt #: 172 total cpu time spent up to now is 187.4 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 189.5 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 191.7 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 193.9 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.1 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 198.3 secs Computing kpt #: 178 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 200.5 secs Computing kpt #: 179 total cpu time spent up to now is 202.4 secs Computing kpt #: 180 total cpu time spent up to now is 204.3 secs Computing kpt #: 181 total cpu time spent up to now is 206.0 secs Computing kpt #: 182 total cpu time spent up to now is 207.8 secs Computing kpt #: 183 total cpu time spent up to now is 209.5 secs Computing kpt #: 184 total cpu time spent up to now is 211.1 secs Computing kpt #: 185 total cpu time spent up to now is 212.8 secs Computing kpt #: 186 total cpu time spent up to now is 214.2 secs Computing kpt #: 187 total cpu time spent up to now is 215.7 secs Computing kpt #: 188 total cpu time spent up to now is 216.9 secs Computing kpt #: 189 total cpu time spent up to now is 218.0 secs Computing kpt #: 190 total cpu time spent up to now is 219.2 secs Computing kpt #: 191 total cpu time spent up to now is 220.5 secs Computing kpt #: 192 total cpu time spent up to now is 221.9 secs Computing kpt #: 193 total cpu time spent up to now is 223.3 secs Computing kpt #: 194 total cpu time spent up to now is 224.6 secs Computing kpt #: 195 total cpu time spent up to now is 225.8 secs Computing kpt #: 196 total cpu time spent up to now is 227.0 secs Computing kpt #: 197 total cpu time spent up to now is 228.4 secs Computing kpt #: 198 total cpu time spent up to now is 230.0 secs Computing kpt #: 199 total cpu time spent up to now is 231.3 secs Computing kpt #: 200 total cpu time spent up to now is 232.5 secs Computing kpt #: 201 total cpu time spent up to now is 233.7 secs Computing kpt #: 202 total cpu time spent up to now is 234.8 secs Computing kpt #: 203 total cpu time spent up to now is 235.8 secs Computing kpt #: 204 total cpu time spent up to now is 236.8 secs Computing kpt #: 205 total cpu time spent up to now is 237.8 secs Computing kpt #: 206 total cpu time spent up to now is 238.8 secs Computing kpt #: 207 total cpu time spent up to now is 239.7 secs Computing kpt #: 208 total cpu time spent up to now is 240.7 secs Computing kpt #: 209 total cpu time spent up to now is 241.7 secs Computing kpt #: 210 total cpu time spent up to now is 242.6 secs Computing kpt #: 211 total cpu time spent up to now is 243.6 secs Computing kpt #: 212 total cpu time spent up to now is 244.5 secs Computing kpt #: 213 total cpu time spent up to now is 245.5 secs Computing kpt #: 214 total cpu time spent up to now is 246.4 secs Computing kpt #: 215 total cpu time spent up to now is 247.3 secs Computing kpt #: 216 total cpu time spent up to now is 248.3 secs Computing kpt #: 217 total cpu time spent up to now is 249.2 secs Computing kpt #: 218 total cpu time spent up to now is 250.2 secs Computing kpt #: 219 total cpu time spent up to now is 251.1 secs Computing kpt #: 220 total cpu time spent up to now is 252.1 secs Computing kpt #: 221 total cpu time spent up to now is 253.0 secs Computing kpt #: 222 total cpu time spent up to now is 254.0 secs Computing kpt #: 223 total cpu time spent up to now is 255.0 secs Computing kpt #: 224 total cpu time spent up to now is 255.9 secs Computing kpt #: 225 total cpu time spent up to now is 256.9 secs Computing kpt #: 226 total cpu time spent up to now is 258.1 secs Computing kpt #: 227 total cpu time spent up to now is 259.1 secs Computing kpt #: 228 total cpu time spent up to now is 260.2 secs Computing kpt #: 229 total cpu time spent up to now is 261.2 secs Computing kpt #: 230 total cpu time spent up to now is 262.2 secs Computing kpt #: 231 total cpu time spent up to now is 263.4 secs Computing kpt #: 232 total cpu time spent up to now is 264.5 secs Computing kpt #: 233 total cpu time spent up to now is 265.6 secs Computing kpt #: 234 total cpu time spent up to now is 266.8 secs Computing kpt #: 235 total cpu time spent up to now is 268.0 secs Computing kpt #: 236 total cpu time spent up to now is 269.5 secs Computing kpt #: 237 total cpu time spent up to now is 271.5 secs Computing kpt #: 238 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 273.7 secs Computing kpt #: 239 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.0 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.3 secs Computing kpt #: 241 total cpu time spent up to now is 279.2 secs Computing kpt #: 242 total cpu time spent up to now is 280.1 secs Computing kpt #: 243 total cpu time spent up to now is 281.3 secs Computing kpt #: 244 total cpu time spent up to now is 283.1 secs Computing kpt #: 245 total cpu time spent up to now is 284.8 secs Computing kpt #: 246 total cpu time spent up to now is 286.5 secs Computing kpt #: 247 total cpu time spent up to now is 288.3 secs Computing kpt #: 248 total cpu time spent up to now is 290.3 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.5 secs Computing kpt #: 250 total cpu time spent up to now is 294.6 secs Computing kpt #: 251 total cpu time spent up to now is 296.0 secs Computing kpt #: 252 total cpu time spent up to now is 297.2 secs Computing kpt #: 253 total cpu time spent up to now is 298.2 secs Computing kpt #: 254 total cpu time spent up to now is 299.2 secs Computing kpt #: 255 total cpu time spent up to now is 300.1 secs Computing kpt #: 256 total cpu time spent up to now is 301.0 secs Computing kpt #: 257 total cpu time spent up to now is 301.9 secs Computing kpt #: 258 total cpu time spent up to now is 302.7 secs Computing kpt #: 259 total cpu time spent up to now is 303.6 secs Computing kpt #: 260 total cpu time spent up to now is 304.5 secs Computing kpt #: 261 total cpu time spent up to now is 305.5 secs Computing kpt #: 262 total cpu time spent up to now is 306.5 secs Computing kpt #: 263 total cpu time spent up to now is 307.4 secs Computing kpt #: 264 total cpu time spent up to now is 308.4 secs Computing kpt #: 265 total cpu time spent up to now is 309.4 secs Computing kpt #: 266 total cpu time spent up to now is 310.4 secs Computing kpt #: 267 total cpu time spent up to now is 311.3 secs Computing kpt #: 268 total cpu time spent up to now is 312.3 secs Computing kpt #: 269 total cpu time spent up to now is 313.3 secs Computing kpt #: 270 total cpu time spent up to now is 314.2 secs Computing kpt #: 271 total cpu time spent up to now is 315.2 secs Computing kpt #: 272 total cpu time spent up to now is 316.1 secs Computing kpt #: 273 total cpu time spent up to now is 317.1 secs Computing kpt #: 274 total cpu time spent up to now is 318.1 secs Computing kpt #: 275 total cpu time spent up to now is 319.3 secs Computing kpt #: 276 total cpu time spent up to now is 320.5 secs Computing kpt #: 277 total cpu time spent up to now is 322.0 secs Computing kpt #: 278 total cpu time spent up to now is 323.2 secs ethr = 1.92E-08, avg # of iterations = 41.7 total cpu time spent up to now is 323.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5611 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4318 -7.4318 -7.3676 -7.3676 -7.1805 -7.1805 -7.1097 -7.1097 -7.0938 -7.0938 -7.0891 -7.0891 -5.0868 -5.0868 -4.8337 -4.8337 0.8100 0.8100 0.8427 0.8427 1.4821 1.4821 1.5315 1.5315 1.9806 1.9806 2.0757 2.0757 3.2045 3.2045 3.2697 3.2697 3.3656 3.3656 3.4131 3.4131 3.6464 3.6464 4.6785 4.6785 6.5115 6.5115 6.6865 6.6865 6.8417 6.8417 7.0291 7.0291 7.0506 7.0506 7.2618 7.2618 9.7353 9.7353 10.5716 10.5716 10.8084 10.8084 k = 0.0125 0.0072-0.0000 ( 5611 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4317 -7.4317 -7.3677 -7.3677 -7.1805 -7.1805 -7.1097 -7.1097 -7.0939 -7.0939 -7.0891 -7.0891 -5.0859 -5.0859 -4.8333 -4.8333 0.8103 0.8103 0.8429 0.8429 1.4822 1.4822 1.5314 1.5314 1.9806 1.9806 2.0753 2.0753 3.2038 3.2038 3.2604 3.2604 3.3755 3.3755 3.4129 3.4129 3.6475 3.6475 4.6802 4.6802 6.4890 6.4890 6.6256 6.6256 6.8694 6.8694 7.0465 7.0465 7.0683 7.0683 7.2705 7.2705 9.7366 9.7366 10.5759 10.5759 10.8122 10.8122 k = 0.0250 0.0144-0.0000 ( 5611 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4314 -7.4314 -7.3679 -7.3679 -7.1804 -7.1804 -7.1098 -7.1098 -7.0943 -7.0943 -7.0893 -7.0893 -5.0832 -5.0832 -4.8321 -4.8321 0.8114 0.8114 0.8435 0.8435 1.4825 1.4825 1.5310 1.5310 1.9804 1.9804 2.0741 2.0741 3.2016 3.2016 3.2396 3.2396 3.3981 3.3981 3.4126 3.4126 3.6508 3.6508 4.6852 4.6852 6.4284 6.4284 6.5130 6.5130 6.8862 6.8862 7.0623 7.0623 7.1436 7.1436 7.3004 7.3004 9.7405 9.7405 10.5885 10.5885 10.8234 10.8234 k = 0.0375 0.0217-0.0000 ( 5605 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4310 -7.4310 -7.3682 -7.3682 -7.1803 -7.1803 -7.1100 -7.1100 -7.0949 -7.0949 -7.0897 -7.0897 -5.0788 -5.0788 -4.8301 -4.8301 0.8132 0.8132 0.8444 0.8444 1.4829 1.4829 1.5303 1.5303 1.9802 1.9802 2.0721 2.0721 3.1979 3.1979 3.2148 3.2148 3.4119 3.4119 3.4254 3.4254 3.6570 3.6570 4.6936 4.6936 6.3426 6.3426 6.3884 6.3884 6.8788 6.8788 7.0599 7.0599 7.2510 7.2510 7.3544 7.3544 9.7470 9.7470 10.6088 10.6088 10.8422 10.8422 k = 0.0500 0.0289-0.0000 ( 5591 PWs) bands (ev): -23.6858 -23.6858 -23.6846 -23.6846 -7.4304 -7.4304 -7.3685 -7.3685 -7.1802 -7.1802 -7.1102 -7.1102 -7.0957 -7.0957 -7.0902 -7.0902 -5.0726 -5.0726 -4.8272 -4.8272 0.8158 0.8158 0.8457 0.8457 1.4836 1.4836 1.5295 1.5295 1.9798 1.9798 2.0693 2.0693 3.1893 3.1893 3.1929 3.1929 3.4113 3.4113 3.4529 3.4529 3.6669 3.6669 4.7051 4.7051 6.2403 6.2403 6.2609 6.2609 6.8585 6.8585 7.0398 7.0398 7.3675 7.3675 7.4268 7.4268 9.7559 9.7559 10.6361 10.6361 10.8683 10.8683 k = 0.0625 0.0361-0.0000 ( 5595 PWs) bands (ev): -23.6858 -23.6858 -23.6845 -23.6845 -7.4297 -7.4297 -7.3691 -7.3691 -7.1800 -7.1800 -7.1106 -7.1106 -7.0966 -7.0966 -7.0908 -7.0908 -5.0647 -5.0647 -4.8235 -4.8235 0.8190 0.8190 0.8474 0.8474 1.4846 1.4846 1.5285 1.5285 1.9794 1.9794 2.0658 2.0658 3.1642 3.1642 3.1865 3.1865 3.4105 3.4105 3.4785 3.4785 3.6816 3.6816 4.7197 4.7197 6.1205 6.1205 6.1399 6.1399 6.8295 6.8295 7.0058 7.0058 7.4841 7.4841 7.5108 7.5108 9.7672 9.7672 10.6694 10.6694 10.9000 10.9000 k = 0.0750 0.0433-0.0000 ( 5599 PWs) bands (ev): -23.6858 -23.6858 -23.6845 -23.6845 -7.4288 -7.4288 -7.3697 -7.3697 -7.1798 -7.1798 -7.1111 -7.1111 -7.0978 -7.0978 -7.0916 -7.0916 -5.0551 -5.0551 -4.8191 -4.8191 0.8228 0.8228 0.8493 0.8493 1.4857 1.4857 1.5275 1.5275 1.9788 1.9788 2.0616 2.0616 3.1399 3.1399 3.1787 3.1787 3.4097 3.4097 3.5004 3.5004 3.7025 3.7025 4.7371 4.7371 5.9897 5.9897 6.0234 6.0234 6.7935 6.7935 6.9611 6.9611 7.5854 7.5854 7.6133 7.6133 9.7807 9.7807 10.7078 10.7078 10.9291 10.9291 k = 0.0875 0.0505-0.0000 ( 5597 PWs) bands (ev): -23.6857 -23.6857 -23.6844 -23.6844 -7.4278 -7.4278 -7.3704 -7.3704 -7.1795 -7.1795 -7.1117 -7.1117 -7.0989 -7.0989 -7.0925 -7.0925 -5.0439 -5.0439 -4.8138 -4.8138 0.8273 0.8273 0.8514 0.8514 1.4872 1.4872 1.5266 1.5266 1.9781 1.9781 2.0568 2.0568 3.1167 3.1167 3.1697 3.1697 3.4090 3.4090 3.5176 3.5176 3.7300 3.7300 4.7572 4.7572 5.8569 5.8569 5.9052 5.9052 6.7514 6.7514 6.9081 6.9081 7.6728 7.6728 7.7278 7.7278 9.7963 9.7963 10.7500 10.7500 10.9258 10.9258 k = 0.1000 0.0577-0.0000 ( 5599 PWs) bands (ev): -23.6856 -23.6856 -23.6844 -23.6844 -7.4267 -7.4267 -7.3713 -7.3713 -7.1791 -7.1791 -7.1126 -7.1126 -7.1001 -7.1001 -7.0935 -7.0935 -5.0311 -5.0311 -4.8078 -4.8078 0.8323 0.8323 0.8538 0.8538 1.4890 1.4890 1.5257 1.5257 1.9773 1.9773 2.0515 2.0515 3.0947 3.0947 3.1595 3.1595 3.4084 3.4084 3.5302 3.5302 3.7641 3.7641 4.7797 4.7797 5.7239 5.7239 5.7852 5.7852 6.7038 6.7038 6.8481 6.8481 7.7565 7.7565 7.8409 7.8409 9.8141 9.8141 10.7928 10.7928 10.8804 10.8804 k = 0.1125 0.0650-0.0000 ( 5617 PWs) bands (ev): -23.6855 -23.6855 -23.6843 -23.6843 -7.4255 -7.4255 -7.3722 -7.3722 -7.1788 -7.1788 -7.1137 -7.1137 -7.1013 -7.1013 -7.0946 -7.0946 -5.0169 -5.0169 -4.8010 -4.8010 0.8378 0.8378 0.8563 0.8563 1.4912 1.4912 1.5252 1.5252 1.9764 1.9764 2.0457 2.0457 3.0738 3.0738 3.1483 3.1483 3.4080 3.4080 3.5389 3.5389 3.8037 3.8037 4.8044 4.8044 5.5913 5.5913 5.6644 5.6644 6.6514 6.6514 6.7824 6.7824 7.8369 7.8369 7.9502 7.9502 9.8340 9.8340 10.7960 10.7960 10.8539 10.8539 k = 0.1250 0.0722-0.0000 ( 5603 PWs) bands (ev): -23.6854 -23.6854 -23.6842 -23.6842 -7.4242 -7.4242 -7.3733 -7.3733 -7.1783 -7.1783 -7.1151 -7.1151 -7.1023 -7.1023 -7.0958 -7.0958 -5.0012 -5.0012 -4.7936 -4.7936 0.8438 0.8438 0.8589 0.8589 1.4937 1.4937 1.5250 1.5250 1.9754 1.9754 2.0395 2.0395 3.0541 3.0541 3.1361 3.1361 3.4077 3.4077 3.5447 3.5447 3.8479 3.8479 4.8307 4.8307 5.4596 5.4596 5.5434 5.5434 6.5947 6.5947 6.7120 6.7120 7.9135 7.9135 8.0543 8.0543 9.8563 9.8563 10.7235 10.7235 10.8749 10.8749 k = 0.1375 0.0794-0.0000 ( 5605 PWs) bands (ev): -23.6853 -23.6853 -23.6841 -23.6841 -7.4229 -7.4229 -7.3744 -7.3744 -7.1778 -7.1778 -7.1168 -7.1168 -7.1032 -7.1032 -7.0971 -7.0971 -4.9842 -4.9842 -4.7854 -4.7854 0.8501 0.8501 0.8616 0.8616 1.4966 1.4966 1.5254 1.5254 1.9743 1.9743 2.0330 2.0330 3.0355 3.0355 3.1232 3.1232 3.4076 3.4076 3.5483 3.5483 3.8956 3.8956 4.8582 4.8582 5.3292 5.3292 5.4232 5.4232 6.5342 6.5342 6.6377 6.6377 7.9857 7.9857 8.1522 8.1522 9.8811 9.8811 10.6366 10.6366 10.8605 10.8605 k = 0.1500 0.0866-0.0000 ( 5617 PWs) bands (ev): -23.6852 -23.6852 -23.6840 -23.6840 -7.4216 -7.4216 -7.3757 -7.3757 -7.1773 -7.1773 -7.1188 -7.1188 -7.1040 -7.1040 -7.0985 -7.0985 -4.9660 -4.9660 -4.7765 -4.7765 0.8566 0.8566 0.8644 0.8644 1.4998 1.4998 1.5263 1.5263 1.9731 1.9731 2.0263 2.0263 3.0180 3.0180 3.1096 3.1096 3.4077 3.4077 3.5503 3.5503 3.9461 3.9461 4.8856 4.8856 5.2003 5.2003 5.3049 5.3049 6.4704 6.4704 6.5603 6.5603 8.0532 8.0532 8.2429 8.2429 9.9087 9.9087 10.5429 10.5429 10.8250 10.8250 k = 0.1625 0.0938-0.0000 ( 5618 PWs) bands (ev): -23.6851 -23.6851 -23.6839 -23.6839 -7.4202 -7.4202 -7.3770 -7.3770 -7.1767 -7.1767 -7.1210 -7.1210 -7.1046 -7.1046 -7.0999 -7.0999 -4.9467 -4.9467 -4.7670 -4.7670 0.8630 0.8630 0.8678 0.8678 1.5033 1.5033 1.5281 1.5281 1.9718 1.9718 2.0195 2.0195 3.0016 3.0016 3.0954 3.0954 3.4080 3.4080 3.5511 3.5511 3.9990 3.9990 4.9103 4.9103 5.0736 5.0736 5.1917 5.1917 6.4038 6.4038 6.4804 6.4804 8.1157 8.1157 8.3256 8.3256 9.9393 9.9393 10.4453 10.4453 10.7845 10.7845 k = 0.1750 0.1010-0.0000 ( 5636 PWs) bands (ev): -23.6850 -23.6850 -23.6838 -23.6838 -7.4188 -7.4188 -7.3785 -7.3785 -7.1760 -7.1760 -7.1235 -7.1235 -7.1051 -7.1051 -7.1013 -7.1013 -4.9263 -4.9263 -4.7568 -4.7568 0.8676 0.8676 0.8731 0.8731 1.5070 1.5070 1.5307 1.5307 1.9704 1.9704 2.0127 2.0127 2.9862 2.9862 3.0809 3.0809 3.4083 3.4083 3.5509 3.5509 4.0537 4.0537 4.9196 4.9196 4.9507 4.9507 5.0948 5.0948 6.3349 6.3349 6.3988 6.3988 8.1730 8.1730 8.3995 8.3995 9.9728 9.9728 10.3460 10.3460 10.7417 10.7417 k = 0.1875 0.1083-0.0000 ( 5640 PWs) bands (ev): -23.6849 -23.6849 -23.6837 -23.6837 -7.4174 -7.4174 -7.3800 -7.3800 -7.1753 -7.1753 -7.1260 -7.1260 -7.1056 -7.1056 -7.1028 -7.1028 -4.9050 -4.9050 -4.7461 -4.7461 0.8706 0.8706 0.8802 0.8802 1.5110 1.5110 1.5342 1.5342 1.9690 1.9690 2.0059 2.0059 2.9717 2.9717 3.0661 3.0661 3.4086 3.4086 3.5500 3.5500 4.1097 4.1097 4.8263 4.8263 4.8828 4.8828 5.0510 5.0510 6.2641 6.2641 6.3159 6.3159 8.2248 8.2248 8.4645 8.4645 10.0080 10.0080 10.2476 10.2476 10.6967 10.6967 k = 0.2000 0.1155-0.0000 ( 5642 PWs) bands (ev): -23.6848 -23.6848 -23.6836 -23.6836 -7.4161 -7.4161 -7.3815 -7.3815 -7.1745 -7.1745 -7.1286 -7.1286 -7.1060 -7.1060 -7.1043 -7.1043 -4.8830 -4.8830 -4.7349 -4.7349 0.8731 0.8731 0.8878 0.8878 1.5151 1.5151 1.5385 1.5385 1.9674 1.9674 1.9994 1.9994 2.9582 2.9582 3.0512 3.0512 3.4089 3.4089 3.5483 3.5483 4.1664 4.1664 4.7086 4.7086 4.7908 4.7908 5.0621 5.0621 6.1920 6.1920 6.2323 6.2323 8.2710 8.2710 8.5208 8.5208 10.0377 10.0377 10.1580 10.1580 10.6495 10.6495 k = 0.2125 0.1227-0.0000 ( 5640 PWs) bands (ev): -23.6846 -23.6846 -23.6835 -23.6835 -7.4148 -7.4148 -7.3831 -7.3831 -7.1737 -7.1737 -7.1313 -7.1313 -7.1066 -7.1066 -7.1055 -7.1055 -4.8602 -4.8602 -4.7231 -4.7231 0.8755 0.8755 0.8957 0.8957 1.5195 1.5195 1.5437 1.5437 1.9657 1.9657 1.9933 1.9933 2.9454 2.9454 3.0363 3.0363 3.4091 3.4091 3.5459 3.5459 4.2227 4.2227 4.5953 4.5953 4.6855 4.6855 5.0899 5.0899 6.1188 6.1188 6.1485 6.1485 8.3114 8.3114 8.5689 8.5689 10.0114 10.0114 10.1277 10.1277 10.6005 10.6005 k = 0.2250 0.1299-0.0000 ( 5636 PWs) bands (ev): -23.6845 -23.6845 -23.6833 -23.6833 -7.4136 -7.4136 -7.3848 -7.3848 -7.1729 -7.1729 -7.1339 -7.1339 -7.1077 -7.1077 -7.1061 -7.1061 -4.8370 -4.8370 -4.7109 -4.7109 0.8778 0.8778 0.9039 0.9039 1.5240 1.5240 1.5495 1.5495 1.9638 1.9638 1.9876 1.9876 2.9334 2.9334 3.0214 3.0214 3.4090 3.4090 3.5428 3.5428 4.2745 4.2745 4.4898 4.4898 4.5798 4.5798 5.1226 5.1226 6.0450 6.0450 6.0648 6.0648 8.3458 8.3458 8.6098 8.6098 9.9238 9.9238 10.1615 10.1615 10.5504 10.5504 k = 0.2375 0.1371-0.0000 ( 5630 PWs) bands (ev): -23.6843 -23.6843 -23.6832 -23.6832 -7.4125 -7.4125 -7.3865 -7.3865 -7.1720 -7.1720 -7.1366 -7.1366 -7.1091 -7.1091 -7.1064 -7.1064 -4.8135 -4.8135 -4.6982 -4.6982 0.8802 0.8802 0.9122 0.9122 1.5287 1.5287 1.5558 1.5558 1.9616 1.9616 1.9827 1.9827 2.9222 2.9222 3.0067 3.0067 3.4086 3.4086 3.5389 3.5389 4.2989 4.2989 4.4088 4.4088 4.4832 4.4832 5.1569 5.1569 5.9709 5.9709 5.9820 5.9820 8.3740 8.3740 8.6450 8.6450 9.8274 9.8274 10.2065 10.2065 10.5002 10.5002 k = 0.2500 0.1443-0.0000 ( 5630 PWs) bands (ev): -23.6842 -23.6842 -23.6830 -23.6830 -7.4115 -7.4115 -7.3882 -7.3882 -7.1711 -7.1711 -7.1392 -7.1392 -7.1105 -7.1105 -7.1066 -7.1066 -4.7897 -4.7897 -4.6852 -4.6852 0.8825 0.8825 0.9207 0.9207 1.5336 1.5336 1.5622 1.5622 1.9591 1.9591 1.9789 1.9789 2.9116 2.9116 2.9921 2.9921 3.4076 3.4076 3.5342 3.5342 4.2418 4.2418 4.3478 4.3478 4.4563 4.4563 5.1915 5.1915 5.8964 5.8964 5.9009 5.9009 8.3959 8.3959 8.6755 8.6755 9.7301 9.7301 10.2531 10.2531 10.4518 10.4518 k = 0.2625 0.1516-0.0000 ( 5636 PWs) bands (ev): -23.6840 -23.6840 -23.6829 -23.6829 -7.4105 -7.4105 -7.3899 -7.3899 -7.1702 -7.1702 -7.1418 -7.1418 -7.1119 -7.1119 -7.1068 -7.1068 -4.7660 -4.7660 -4.6718 -4.6718 0.8850 0.8850 0.9294 0.9294 1.5386 1.5386 1.5687 1.5687 1.9560 1.9560 1.9761 1.9761 2.9016 2.9016 2.9778 2.9778 3.4059 3.4059 3.5283 3.5283 4.1531 4.1531 4.2551 4.2551 4.5020 4.5020 5.2258 5.2258 5.8191 5.8191 5.8248 5.8248 8.4119 8.4119 8.7028 8.7028 9.6336 9.6336 10.2943 10.2943 10.4109 10.4109 k = 0.2750 0.1588-0.0000 ( 5636 PWs) bands (ev): -23.6839 -23.6839 -23.6828 -23.6828 -7.4097 -7.4097 -7.3917 -7.3917 -7.1694 -7.1694 -7.1443 -7.1443 -7.1133 -7.1133 -7.1070 -7.1070 -4.7425 -4.7425 -4.6580 -4.6580 0.8876 0.8876 0.9383 0.9383 1.5434 1.5434 1.5749 1.5749 1.9526 1.9526 1.9745 1.9745 2.8922 2.8922 2.9638 2.9638 3.4031 3.4031 3.5211 3.5211 4.0642 4.0642 4.1608 4.1608 4.5601 4.5601 5.2587 5.2587 5.7419 5.7419 5.7521 5.7521 8.4222 8.4222 8.7276 8.7276 9.5384 9.5384 10.3055 10.3055 10.4020 10.4020 k = 0.2875 0.1660-0.0000 ( 5638 PWs) bands (ev): -23.6838 -23.6838 -23.6827 -23.6827 -7.4090 -7.4090 -7.3934 -7.3934 -7.1685 -7.1685 -7.1466 -7.1466 -7.1145 -7.1145 -7.1071 -7.1071 -4.7194 -4.7194 -4.6440 -4.6440 0.8904 0.8904 0.9475 0.9475 1.5481 1.5481 1.5807 1.5807 1.9491 1.9491 1.9739 1.9739 2.8833 2.8833 2.9502 2.9502 3.3989 3.3989 3.5119 3.5119 3.9804 3.9804 4.0702 4.0702 4.6213 4.6213 5.2891 5.2891 5.6682 5.6682 5.6809 5.6809 8.4274 8.4274 8.7507 8.7507 9.4451 9.4451 10.2747 10.2747 10.4374 10.4374 k = 0.3000 0.1732-0.0000 ( 5636 PWs) bands (ev): -23.6836 -23.6836 -23.6825 -23.6825 -7.4084 -7.4084 -7.3951 -7.3951 -7.1678 -7.1678 -7.1488 -7.1488 -7.1157 -7.1157 -7.1072 -7.1072 -4.6970 -4.6970 -4.6295 -4.6295 0.8935 0.8935 0.9570 0.9570 1.5525 1.5525 1.5857 1.5857 1.9456 1.9456 1.9741 1.9741 2.8750 2.8750 2.9369 2.9369 3.3927 3.3927 3.5003 3.5003 3.9036 3.9036 3.9851 3.9851 4.6836 4.6836 5.3146 5.3146 5.6004 5.6004 5.6112 5.6112 8.4283 8.4283 8.7723 8.7723 9.3538 9.3538 10.2327 10.2327 10.4865 10.4865 k = 0.3125 0.1804-0.0000 ( 5636 PWs) bands (ev): -23.6835 -23.6835 -23.6824 -23.6824 -7.4079 -7.4079 -7.3967 -7.3967 -7.1671 -7.1671 -7.1509 -7.1509 -7.1167 -7.1167 -7.1073 -7.1073 -4.6756 -4.6756 -4.6147 -4.6147 0.8969 0.8969 0.9669 0.9669 1.5564 1.5564 1.5897 1.5897 1.9423 1.9423 1.9751 1.9751 2.8671 2.8671 2.9240 2.9240 3.3839 3.3839 3.4855 3.4855 3.8354 3.8354 3.9067 3.9067 4.7460 4.7460 5.3302 5.3302 5.5432 5.5432 5.5442 5.5442 8.4256 8.4256 8.7925 8.7925 9.2651 9.2651 10.1898 10.1898 10.5390 10.5390 k = 0.3250 0.1876-0.0000 ( 5636 PWs) bands (ev): -23.6834 -23.6834 -23.6823 -23.6823 -7.4076 -7.4076 -7.3982 -7.3982 -7.1665 -7.1665 -7.1527 -7.1527 -7.1177 -7.1177 -7.1074 -7.1074 -4.6554 -4.6554 -4.5995 -4.5995 0.9006 0.9006 0.9771 0.9771 1.5597 1.5597 1.5925 1.5925 1.9392 1.9392 1.9766 1.9766 2.8597 2.8597 2.9116 2.9116 3.3716 3.3716 3.4665 3.4665 3.7770 3.7770 3.8362 3.8362 4.8080 4.8080 5.3259 5.3259 5.4781 5.4781 5.5084 5.5084 8.4200 8.4200 8.8116 8.8116 9.1793 9.1793 10.1483 10.1483 10.5930 10.5930 k = 0.3375 0.1949-0.0000 ( 5638 PWs) bands (ev): -23.6832 -23.6832 -23.6822 -23.6822 -7.4075 -7.4075 -7.3996 -7.3996 -7.1662 -7.1662 -7.1544 -7.1544 -7.1185 -7.1185 -7.1074 -7.1074 -4.6367 -4.6367 -4.5838 -4.5838 0.9047 0.9047 0.9877 0.9877 1.5622 1.5622 1.5940 1.5940 1.9364 1.9364 1.9787 1.9787 2.8527 2.8527 2.8996 2.8996 3.3550 3.3550 3.4430 3.4430 3.7292 3.7292 3.7748 3.7748 4.8691 4.8691 5.2953 5.2953 5.4154 5.4154 5.5005 5.5005 8.4122 8.4122 8.8293 8.8293 9.0968 9.0968 10.1090 10.1090 10.6478 10.6478 k = 0.3500 0.2021-0.0000 ( 5634 PWs) bands (ev): -23.6831 -23.6831 -23.6820 -23.6820 -7.4075 -7.4075 -7.4008 -7.4008 -7.1660 -7.1660 -7.1557 -7.1557 -7.1193 -7.1193 -7.1075 -7.1075 -4.6197 -4.6197 -4.5678 -4.5678 0.9091 0.9091 0.9987 0.9987 1.5639 1.5639 1.5939 1.5939 1.9339 1.9339 1.9811 1.9811 2.8462 2.8462 2.8882 2.8882 3.3336 3.3336 3.4152 3.4152 3.6919 3.6919 3.7234 3.7234 4.9290 4.9290 5.2480 5.2480 5.3558 5.3558 5.5107 5.5107 8.4027 8.4027 8.8454 8.8454 9.0184 9.0184 10.0724 10.0724 10.7029 10.7029 k = 0.3625 0.2093-0.0000 ( 5640 PWs) bands (ev): -23.6830 -23.6830 -23.6819 -23.6819 -7.4077 -7.4077 -7.4018 -7.4018 -7.1661 -7.1661 -7.1568 -7.1568 -7.1199 -7.1199 -7.1075 -7.1075 -4.6044 -4.6044 -4.5516 -4.5516 0.9138 0.9138 1.0101 1.0101 1.5647 1.5647 1.5923 1.5923 1.9316 1.9316 1.9838 1.9838 2.8400 2.8400 2.8774 2.8774 3.3074 3.3074 3.3844 3.3844 3.6635 3.6635 3.6826 3.6826 4.9868 4.9868 5.1951 5.1951 5.2999 5.2999 5.5280 5.5280 8.3920 8.3920 8.8592 8.8592 8.9452 8.9452 10.0387 10.0387 10.7579 10.7579 k = 0.3750 0.2165-0.0000 ( 5634 PWs) bands (ev): -23.6829 -23.6829 -23.6818 -23.6818 -7.4082 -7.4082 -7.4025 -7.4025 -7.1665 -7.1665 -7.1575 -7.1575 -7.1204 -7.1204 -7.1076 -7.1076 -4.5907 -4.5907 -4.5355 -4.5355 0.9187 0.9187 1.0219 1.0219 1.5646 1.5646 1.5892 1.5892 1.9296 1.9296 1.9866 1.9866 2.8341 2.8341 2.8673 2.8673 3.2776 3.2776 3.3523 3.3523 3.6418 3.6418 3.6522 3.6522 5.0415 5.0415 5.1420 5.1420 5.2487 5.2487 5.5470 5.5470 8.3804 8.3804 8.8578 8.8578 8.8906 8.8906 10.0079 10.0079 10.8126 10.8126 k = 0.3875 0.2237-0.0000 ( 5630 PWs) bands (ev): -23.6828 -23.6828 -23.6817 -23.6817 -7.4089 -7.4089 -7.4030 -7.4030 -7.1670 -7.1670 -7.1579 -7.1579 -7.1208 -7.1208 -7.1076 -7.1076 -4.5786 -4.5786 -4.5201 -4.5201 0.9238 0.9238 1.0339 1.0339 1.5637 1.5637 1.5846 1.5846 1.9277 1.9277 1.9894 1.9894 2.8287 2.8287 2.8580 2.8580 3.2458 3.2458 3.3208 3.3208 3.6236 3.6236 3.6319 3.6319 5.0875 5.0875 5.0931 5.0931 5.2057 5.2057 5.5654 5.5654 8.3682 8.3682 8.8041 8.8041 8.8923 8.8923 9.9803 9.9803 10.8665 10.8665 k = 0.4000 0.2309-0.0000 ( 5640 PWs) bands (ev): -23.6828 -23.6828 -23.6816 -23.6816 -7.4097 -7.4097 -7.4034 -7.4034 -7.1677 -7.1677 -7.1582 -7.1582 -7.1211 -7.1211 -7.1076 -7.1076 -4.5678 -4.5678 -4.5054 -4.5054 0.9290 0.9290 1.0461 1.0461 1.5619 1.5619 1.5788 1.5788 1.9259 1.9259 1.9921 1.9921 2.8236 2.8236 2.8496 2.8496 3.2140 3.2140 3.2911 3.2911 3.6085 3.6085 3.6188 3.6188 5.0434 5.0434 5.1130 5.1130 5.1888 5.1888 5.5822 5.5822 8.3556 8.3556 8.7466 8.7466 8.9023 8.9023 9.9556 9.9556 10.9190 10.9190 k = 0.4125 0.2382-0.0000 ( 5644 PWs) bands (ev): -23.6827 -23.6827 -23.6816 -23.6816 -7.4105 -7.4105 -7.4036 -7.4036 -7.1684 -7.1684 -7.1583 -7.1583 -7.1213 -7.1213 -7.1077 -7.1077 -4.5583 -4.5583 -4.4919 -4.4919 0.9340 0.9340 1.0582 1.0582 1.5592 1.5592 1.5723 1.5723 1.9244 1.9244 1.9945 1.9945 2.8188 2.8188 2.8422 2.8422 3.1837 3.1837 3.2643 3.2643 3.5973 3.5973 3.6094 3.6094 5.0002 5.0002 5.0924 5.0924 5.2168 5.2168 5.5968 5.5968 8.3427 8.3427 8.6948 8.6948 8.9119 8.9119 9.9341 9.9341 10.9695 10.9695 k = 0.4250 0.2454-0.0000 ( 5644 PWs) bands (ev): -23.6826 -23.6826 -23.6815 -23.6815 -7.4112 -7.4112 -7.4037 -7.4037 -7.1692 -7.1692 -7.1583 -7.1583 -7.1215 -7.1215 -7.1077 -7.1077 -4.5500 -4.5500 -4.4798 -4.4798 0.9389 0.9389 1.0699 1.0699 1.5553 1.5553 1.5659 1.5659 1.9229 1.9229 1.9966 1.9966 2.8145 2.8145 2.8358 2.8358 3.1560 3.1560 3.2410 3.2410 3.5895 3.5895 3.6022 3.6022 4.9617 4.9617 5.0611 5.0611 5.2563 5.2563 5.6088 5.6088 8.3298 8.3298 8.6496 8.6496 8.9204 8.9204 9.9156 9.9156 11.0171 11.0171 k = 0.4375 0.2526-0.0000 ( 5650 PWs) bands (ev): -23.6826 -23.6826 -23.6815 -23.6815 -7.4119 -7.4119 -7.4038 -7.4038 -7.1698 -7.1698 -7.1584 -7.1584 -7.1216 -7.1216 -7.1077 -7.1077 -4.5431 -4.5431 -4.4693 -4.4693 0.9434 0.9434 1.0810 1.0810 1.5500 1.5500 1.5605 1.5605 1.9216 1.9216 1.9983 1.9983 2.8107 2.8107 2.8305 2.8305 3.1319 3.1319 3.2214 3.2214 3.5841 3.5841 3.5965 3.5965 4.9284 4.9284 5.0318 5.0318 5.2942 5.2942 5.6183 5.6183 8.3173 8.3173 8.6117 8.6117 8.9276 8.9276 9.9001 9.9001 11.0610 11.0610 k = 0.4500 0.2598-0.0000 ( 5652 PWs) bands (ev): -23.6826 -23.6826 -23.6814 -23.6814 -7.4125 -7.4125 -7.4039 -7.4039 -7.1704 -7.1704 -7.1584 -7.1584 -7.1216 -7.1216 -7.1077 -7.1077 -4.5373 -4.5373 -4.4605 -4.4605 0.9473 0.9473 1.0910 1.0910 1.5436 1.5436 1.5566 1.5566 1.9205 1.9205 1.9997 1.9997 2.8074 2.8074 2.8262 2.8262 3.1118 3.1118 3.2055 3.2055 3.5807 3.5807 3.5920 3.5920 4.9006 4.9006 5.0068 5.0068 5.3277 5.3277 5.6252 5.6252 8.3055 8.3055 8.5811 8.5811 8.9335 8.9335 9.8875 9.8875 11.0999 11.0999 k = 0.4625 0.2670-0.0000 ( 5664 PWs) bands (ev): -23.6825 -23.6825 -23.6814 -23.6814 -7.4130 -7.4130 -7.4040 -7.4040 -7.1708 -7.1708 -7.1584 -7.1584 -7.1217 -7.1217 -7.1077 -7.1077 -4.5329 -4.5329 -4.4535 -4.4535 0.9506 0.9506 1.0995 1.0995 1.5373 1.5373 1.5537 1.5537 1.9195 1.9195 2.0007 2.0007 2.8047 2.8047 2.8230 2.8230 3.0961 3.0961 3.1933 3.1933 3.5785 3.5785 3.5884 3.5884 4.8787 4.8787 4.9869 4.9869 5.3554 5.3554 5.6298 5.6298 8.2953 8.2953 8.5578 8.5578 8.9381 8.9381 9.8778 9.8778 11.1324 11.1324 k = 0.4750 0.2742-0.0000 ( 5660 PWs) bands (ev): -23.6825 -23.6825 -23.6814 -23.6814 -7.4134 -7.4134 -7.4041 -7.4041 -7.1711 -7.1711 -7.1584 -7.1584 -7.1217 -7.1217 -7.1077 -7.1077 -4.5296 -4.5296 -4.4485 -4.4485 0.9530 0.9530 1.1059 1.1059 1.5321 1.5321 1.5516 1.5516 1.9188 1.9188 2.0014 2.0014 2.8028 2.8028 2.8207 2.8207 3.0848 3.0848 3.1848 3.1848 3.5774 3.5774 3.5858 3.5858 4.8628 4.8628 4.9725 4.9725 5.3761 5.3761 5.6326 5.6326 8.2873 8.2873 8.5415 8.5415 8.9414 8.9414 9.8709 9.8709 11.1572 11.1572 k = 0.4875 0.2815-0.0000 ( 5658 PWs) bands (ev): -23.6825 -23.6825 -23.6814 -23.6814 -7.4136 -7.4136 -7.4041 -7.4041 -7.1713 -7.1713 -7.1584 -7.1584 -7.1217 -7.1217 -7.1077 -7.1077 -4.5277 -4.5277 -4.4454 -4.4454 0.9546 0.9546 1.1100 1.1100 1.5288 1.5288 1.5503 1.5503 1.9184 1.9184 2.0018 2.0018 2.8016 2.8016 2.8194 2.8194 3.0781 3.0781 3.1796 3.1796 3.5769 3.5769 3.5842 3.5842 4.8533 4.8533 4.9637 4.9637 5.3891 5.3891 5.6339 5.6339 8.2822 8.2822 8.5319 8.5319 8.9434 8.9434 9.8668 9.8668 11.1728 11.1728 k = 0.5000 0.2887-0.0000 ( 5650 PWs) bands (ev): -23.6825 -23.6825 -23.6813 -23.6813 -7.4136 -7.4136 -7.4041 -7.4041 -7.1714 -7.1714 -7.1584 -7.1584 -7.1217 -7.1217 -7.1077 -7.1077 -4.5271 -4.5271 -4.4444 -4.4444 0.9551 0.9551 1.1114 1.1114 1.5276 1.5276 1.5499 1.5499 1.9183 1.9183 2.0019 2.0019 2.8012 2.8012 2.8189 2.8189 3.0758 3.0758 3.1779 3.1779 3.5768 3.5768 3.5836 3.5836 4.8501 4.8501 4.9608 4.9608 5.3935 5.3935 5.6343 5.6343 8.2805 8.2805 8.5288 8.5288 8.9441 8.9441 9.8654 9.8654 11.1782 11.1782 k = 0.5000 0.2887-0.0000 ( 5650 PWs) bands (ev): -23.6825 -23.6825 -23.6813 -23.6813 -7.4136 -7.4136 -7.4041 -7.4041 -7.1714 -7.1714 -7.1584 -7.1584 -7.1217 -7.1217 -7.1077 -7.1077 -4.5271 -4.5271 -4.4444 -4.4444 0.9551 0.9551 1.1114 1.1114 1.5276 1.5276 1.5499 1.5499 1.9183 1.9183 2.0019 2.0019 2.8012 2.8012 2.8189 2.8189 3.0758 3.0758 3.1779 3.1779 3.5768 3.5768 3.5836 3.5836 4.8501 4.8501 4.9608 4.9608 5.3935 5.3935 5.6343 5.6343 8.2805 8.2805 8.5288 8.5288 8.9441 8.9441 9.8654 9.8654 11.1782 11.1782 k = 0.4928 0.3012-0.0000 ( 5652 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4136 -7.4136 -7.4041 -7.4041 -7.1714 -7.1714 -7.1584 -7.1584 -7.1218 -7.1218 -7.1078 -7.1078 -4.5267 -4.5267 -4.4442 -4.4442 0.9549 0.9549 1.1111 1.1111 1.5202 1.5202 1.5596 1.5596 1.9174 1.9174 2.0033 2.0033 2.7977 2.7977 2.8212 2.8212 3.0761 3.0761 3.1787 3.1787 3.5752 3.5752 3.5847 3.5847 4.8432 4.8432 4.9546 4.9546 5.3942 5.3942 5.6353 5.6353 8.2874 8.2874 8.5331 8.5331 8.9512 8.9512 9.8622 9.8622 11.1804 11.1804 k = 0.4855 0.3138-0.0000 ( 5654 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4135 -7.4135 -7.4041 -7.4041 -7.1713 -7.1713 -7.1583 -7.1583 -7.1220 -7.1220 -7.1080 -7.1080 -4.5256 -4.5256 -4.4437 -4.4437 0.9543 0.9543 1.1100 1.1100 1.5089 1.5089 1.5775 1.5775 1.9149 1.9149 2.0074 2.0074 2.7900 2.7900 2.8255 2.8255 3.0769 3.0769 3.1808 3.1808 3.5718 3.5718 3.5869 3.5869 4.8229 4.8229 4.9364 4.9364 5.3965 5.3965 5.6380 5.6380 8.3073 8.3073 8.5466 8.5466 8.9725 8.9725 9.8527 9.8527 11.1870 11.1870 k = 0.4783 0.3263-0.0000 ( 5660 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4134 -7.4134 -7.4041 -7.4041 -7.1712 -7.1712 -7.1581 -7.1581 -7.1223 -7.1223 -7.1083 -7.1083 -4.5238 -4.5238 -4.4429 -4.4429 0.9534 0.9534 1.1084 1.1084 1.4989 1.4989 1.5985 1.5985 1.9113 1.9113 2.0136 2.0136 2.7805 2.7805 2.8294 2.8294 3.0783 3.0783 3.1842 3.1842 3.5676 3.5676 3.5890 3.5890 4.7895 4.7895 4.9072 4.9072 5.4002 5.4002 5.6425 5.6425 8.3369 8.3369 8.5715 8.5715 9.0074 9.0074 9.8372 9.8372 11.1981 11.1981 k = 0.4710 0.3389-0.0000 ( 5649 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4133 -7.4133 -7.4041 -7.4041 -7.1711 -7.1711 -7.1579 -7.1579 -7.1227 -7.1227 -7.1088 -7.1088 -4.5212 -4.5212 -4.4418 -4.4418 0.9522 0.9522 1.1062 1.1062 1.4907 1.4907 1.6218 1.6218 1.9069 1.9069 2.0217 2.0217 2.7698 2.7698 2.8322 2.8322 3.0803 3.0803 3.1891 3.1891 3.5627 3.5627 3.5909 3.5909 4.7437 4.7437 4.8684 4.8684 5.4055 5.4055 5.6485 5.6485 8.3714 8.3714 8.6112 8.6112 9.0548 9.0548 9.8159 9.8159 11.2136 11.2136 k = 0.4638 0.3514-0.0000 ( 5657 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4131 -7.4131 -7.4040 -7.4040 -7.1710 -7.1710 -7.1576 -7.1576 -7.1233 -7.1233 -7.1094 -7.1094 -4.5180 -4.5180 -4.4404 -4.4404 0.9507 0.9507 1.1036 1.1036 1.4844 1.4844 1.6471 1.6471 1.9020 1.9020 2.0311 2.0311 2.7584 2.7584 2.8339 2.8339 3.0830 3.0830 3.1952 3.1952 3.5573 3.5573 3.5926 3.5926 4.6869 4.6869 4.8215 4.8215 5.4121 5.4121 5.6559 5.6559 8.4059 8.4059 8.6686 8.6686 9.1136 9.1136 9.7896 9.7896 11.2336 11.2336 k = 0.4565 0.3640-0.0000 ( 5657 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4129 -7.4129 -7.4040 -7.4040 -7.1709 -7.1709 -7.1572 -7.1572 -7.1240 -7.1240 -7.1101 -7.1101 -4.5142 -4.5142 -4.4387 -4.4387 0.9488 0.9488 1.1007 1.1007 1.4799 1.4799 1.6742 1.6742 1.8971 1.8971 2.0416 2.0416 2.7465 2.7465 2.8343 2.8343 3.0863 3.0863 3.2026 3.2026 3.5515 3.5515 3.5940 3.5940 4.6205 4.6205 4.7677 4.7677 5.4201 5.4201 5.6643 5.6643 8.4378 8.4378 8.7440 8.7440 9.1824 9.1824 9.7588 9.7588 11.2579 11.2579 k = 0.4493 0.3765-0.0000 ( 5649 PWs) bands (ev): -23.6823 -23.6823 -23.6813 -23.6813 -7.4127 -7.4127 -7.4040 -7.4040 -7.1707 -7.1707 -7.1568 -7.1568 -7.1248 -7.1248 -7.1109 -7.1109 -4.5097 -4.5097 -4.4368 -4.4368 0.9468 0.9468 1.0978 1.0978 1.4768 1.4768 1.7028 1.7028 1.8922 1.8922 2.0529 2.0529 2.7342 2.7342 2.8334 2.8334 3.0903 3.0903 3.2112 3.2112 3.5451 3.5451 3.5952 3.5952 4.5465 4.5465 4.7083 4.7083 5.4293 5.4293 5.6737 5.6737 8.4672 8.4672 8.8351 8.8351 9.2593 9.2593 9.7244 9.7244 11.2866 11.2866 k = 0.4420 0.3891-0.0000 ( 5645 PWs) bands (ev): -23.6823 -23.6823 -23.6812 -23.6812 -7.4124 -7.4124 -7.4040 -7.4040 -7.1705 -7.1705 -7.1563 -7.1563 -7.1256 -7.1256 -7.1117 -7.1117 -4.5048 -4.5048 -4.4346 -4.4346 0.9445 0.9445 1.0951 1.0951 1.4750 1.4750 1.7328 1.7328 1.8875 1.8875 2.0649 2.0649 2.7217 2.7217 2.8313 2.8313 3.0952 3.0952 3.2209 3.2209 3.5383 3.5383 3.5962 3.5962 4.4667 4.4667 4.6442 4.6442 5.4398 5.4398 5.6839 5.6839 8.4951 8.4951 8.9380 8.9380 9.3422 9.3422 9.6880 9.6880 11.3198 11.3198 k = 0.4348 0.4016-0.0000 ( 5651 PWs) bands (ev): -23.6823 -23.6823 -23.6812 -23.6812 -7.4121 -7.4121 -7.4040 -7.4040 -7.1703 -7.1703 -7.1557 -7.1557 -7.1266 -7.1266 -7.1127 -7.1127 -4.4994 -4.4994 -4.4323 -4.4323 0.9421 0.9421 1.0926 1.0926 1.4742 1.4742 1.7640 1.7640 1.8832 1.8832 2.0772 2.0772 2.7091 2.7091 2.8280 2.8280 3.1009 3.1009 3.2317 3.2317 3.5311 3.5311 3.5971 3.5971 4.3829 4.3829 4.5764 4.5764 5.4513 5.4513 5.6946 5.6946 8.5226 8.5226 9.0486 9.0486 9.4279 9.4279 9.6524 9.6524 11.3573 11.3573 k = 0.4275 0.4142-0.0000 ( 5659 PWs) bands (ev): -23.6823 -23.6823 -23.6812 -23.6812 -7.4118 -7.4118 -7.4040 -7.4040 -7.1702 -7.1702 -7.1551 -7.1551 -7.1276 -7.1276 -7.1136 -7.1136 -4.4936 -4.4936 -4.4299 -4.4299 0.9395 0.9395 1.0907 1.0907 1.4740 1.4740 1.7959 1.7959 1.8795 1.8795 2.0899 2.0899 2.6968 2.6968 2.8235 2.8235 3.1075 3.1075 3.2437 3.2437 3.5236 3.5236 3.5978 3.5978 4.2968 4.2968 4.5059 4.5059 5.4639 5.4639 5.7057 5.7057 8.5505 8.5505 9.1622 9.1622 9.5054 9.5054 9.6289 9.6289 11.3991 11.3991 k = 0.4203 0.4267-0.0000 ( 5661 PWs) bands (ev): -23.6823 -23.6823 -23.6812 -23.6812 -7.4116 -7.4116 -7.4040 -7.4040 -7.1700 -7.1700 -7.1544 -7.1544 -7.1287 -7.1287 -7.1146 -7.1146 -4.4874 -4.4874 -4.4275 -4.4275 0.9369 0.9369 1.0893 1.0893 1.4743 1.4743 1.8273 1.8273 1.8775 1.8775 2.1025 2.1025 2.6847 2.6847 2.8180 2.8180 3.1151 3.1151 3.2567 3.2567 3.5158 3.5158 3.5984 3.5984 4.2099 4.2099 4.4335 4.4335 5.4773 5.4773 5.7169 5.7169 8.5792 8.5792 9.2711 9.2711 9.5352 9.5352 9.6607 9.6607 11.4453 11.4453 k = 0.4130 0.4393-0.0000 ( 5665 PWs) bands (ev): -23.6822 -23.6822 -23.6812 -23.6812 -7.4113 -7.4113 -7.4040 -7.4040 -7.1699 -7.1699 -7.1537 -7.1537 -7.1299 -7.1299 -7.1156 -7.1156 -4.4811 -4.4811 -4.4250 -4.4250 0.9341 0.9341 1.0887 1.0887 1.4746 1.4746 1.8525 1.8525 1.8827 1.8827 2.1151 2.1151 2.6732 2.6732 2.8115 2.8115 3.1236 3.1236 3.2709 3.2709 3.5077 3.5077 3.5989 3.5989 4.1235 4.1235 4.3600 4.3600 5.4914 5.4914 5.7281 5.7281 8.6087 8.6087 9.3540 9.3540 9.5396 9.5396 9.7430 9.7430 11.4956 11.4956 k = 0.4058 0.4518-0.0000 ( 5657 PWs) bands (ev): -23.6822 -23.6822 -23.6811 -23.6811 -7.4110 -7.4110 -7.4040 -7.4040 -7.1698 -7.1698 -7.1529 -7.1529 -7.1311 -7.1311 -7.1165 -7.1165 -4.4746 -4.4746 -4.4225 -4.4225 0.9315 0.9315 1.0887 1.0887 1.4750 1.4750 1.8595 1.8595 1.9069 1.9069 2.1273 2.1273 2.6622 2.6622 2.8040 2.8040 3.1332 3.1332 3.2863 3.2863 3.4996 3.4996 3.5993 3.5993 4.0391 4.0391 4.2862 4.2862 5.5061 5.5061 5.7391 5.7391 8.6391 8.6391 9.3721 9.3721 9.5940 9.5940 9.8351 9.8351 11.5496 11.5496 k = 0.3986 0.4644-0.0000 ( 5657 PWs) bands (ev): -23.6821 -23.6821 -23.6811 -23.6811 -7.4108 -7.4108 -7.4040 -7.4040 -7.1697 -7.1697 -7.1521 -7.1521 -7.1323 -7.1323 -7.1174 -7.1174 -4.4682 -4.4682 -4.4201 -4.4201 0.9289 0.9289 1.0896 1.0896 1.4751 1.4751 1.8587 1.8587 1.9391 1.9391 2.1389 2.1389 2.6519 2.6519 2.7956 2.7956 3.1437 3.1437 3.3028 3.3028 3.4914 3.4914 3.5996 3.5996 3.9578 3.9578 4.2128 4.2128 5.5211 5.5211 5.7496 5.7496 8.6704 8.6704 9.3444 9.3444 9.6848 9.6848 9.9277 9.9277 11.6057 11.6057 k = 0.3913 0.4769-0.0000 ( 5669 PWs) bands (ev): -23.6821 -23.6821 -23.6811 -23.6811 -7.4106 -7.4106 -7.4040 -7.4040 -7.1696 -7.1696 -7.1512 -7.1512 -7.1335 -7.1335 -7.1183 -7.1183 -4.4618 -4.4618 -4.4178 -4.4178 0.9264 0.9264 1.0911 1.0911 1.4748 1.4748 1.8567 1.8567 1.9725 1.9725 2.1498 2.1498 2.6425 2.6425 2.7866 2.7866 3.1551 3.1551 3.3207 3.3207 3.4832 3.4832 3.5998 3.5998 3.8811 3.8811 4.1405 4.1405 5.5361 5.5361 5.7594 5.7594 8.7023 8.7023 9.3030 9.3030 9.7790 9.7790 10.0180 10.0180 11.6525 11.6525 k = 0.3841 0.4895-0.0000 ( 5673 PWs) bands (ev): -23.6821 -23.6821 -23.6811 -23.6811 -7.4104 -7.4104 -7.4040 -7.4040 -7.1696 -7.1696 -7.1503 -7.1503 -7.1348 -7.1348 -7.1191 -7.1191 -4.4556 -4.4556 -4.4156 -4.4156 0.9241 0.9241 1.0932 1.0932 1.4741 1.4741 1.8546 1.8546 2.0054 2.0054 2.1598 2.1598 2.6340 2.6340 2.7769 2.7769 3.1670 3.1670 3.3398 3.3398 3.4752 3.4752 3.5999 3.5999 3.8102 3.8102 4.0700 4.0700 5.5510 5.5510 5.7683 5.7683 8.7347 8.7347 9.2577 9.2577 9.8653 9.8653 10.1038 10.1038 11.6387 11.6387 k = 0.3768 0.5020-0.0000 ( 5667 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4102 -7.4102 -7.4040 -7.4040 -7.1696 -7.1696 -7.1493 -7.1493 -7.1360 -7.1360 -7.1198 -7.1198 -4.4498 -4.4498 -4.4137 -4.4137 0.9221 0.9221 1.0958 1.0958 1.4730 1.4730 1.8527 1.8527 2.0368 2.0368 2.1688 2.1688 2.6265 2.6265 2.7669 2.7669 3.1792 3.1792 3.3599 3.3599 3.4676 3.4676 3.6000 3.6000 3.7467 3.7467 4.0019 4.0019 5.5653 5.5653 5.7762 5.7762 8.7675 8.7675 9.2115 9.2115 9.9398 9.9398 10.1828 10.1828 11.5931 11.5931 k = 0.3696 0.5146-0.0000 ( 5679 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4101 -7.4101 -7.4040 -7.4040 -7.1696 -7.1696 -7.1483 -7.1483 -7.1372 -7.1372 -7.1204 -7.1204 -4.4446 -4.4446 -4.4120 -4.4120 0.9204 0.9204 1.0987 1.0987 1.4716 1.4716 1.8510 1.8510 2.0658 2.0658 2.1766 2.1766 2.6201 2.6201 2.7569 2.7569 3.1914 3.1914 3.3802 3.3802 3.4604 3.4604 3.5997 3.5997 3.6925 3.6925 3.9369 3.9369 5.5788 5.5788 5.7830 5.7830 8.8003 8.8003 9.1658 9.1658 10.0012 10.0012 10.2525 10.2525 11.5494 11.5494 k = 0.3623 0.5271-0.0000 ( 5685 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4100 -7.4100 -7.4040 -7.4040 -7.1696 -7.1696 -7.1474 -7.1474 -7.1384 -7.1384 -7.1209 -7.1209 -4.4399 -4.4399 -4.4105 -4.4105 0.9191 0.9191 1.1017 1.1017 1.4699 1.4699 1.8496 1.8496 2.0914 2.0914 2.1832 2.1832 2.6147 2.6147 2.7474 2.7474 3.2029 3.2029 3.3996 3.3996 3.4542 3.4542 3.5989 3.5989 3.6504 3.6504 3.8759 3.8759 5.5910 5.5910 5.7884 5.7884 8.8330 8.8330 9.1216 9.1216 10.0493 10.0493 10.3107 10.3107 11.5121 11.5121 k = 0.3551 0.5397-0.0000 ( 5693 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4100 -7.4100 -7.4040 -7.4040 -7.1697 -7.1697 -7.1464 -7.1464 -7.1396 -7.1396 -7.1213 -7.1213 -4.4361 -4.4361 -4.4093 -4.4093 0.9180 0.9180 1.1045 1.1045 1.4682 1.4682 1.8485 1.8485 2.1127 2.1127 2.1886 2.1886 2.6105 2.6105 2.7388 2.7388 3.2129 3.2129 3.4153 3.4153 3.4491 3.4491 3.5968 3.5968 3.6239 3.6239 3.8202 3.8202 5.6015 5.6015 5.7925 5.7925 8.8653 8.8653 9.0795 9.0795 10.0848 10.0848 10.3559 10.3559 11.4825 11.4825 k = 0.3478 0.5522-0.0000 ( 5689 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4099 -7.4099 -7.4040 -7.4040 -7.1697 -7.1697 -7.1454 -7.1454 -7.1407 -7.1407 -7.1215 -7.1215 -4.4332 -4.4332 -4.4084 -4.4084 0.9173 0.9173 1.1068 1.1068 1.4666 1.4666 1.8478 1.8478 2.1285 2.1285 2.1926 2.1926 2.6075 2.6075 2.7320 2.7320 3.2208 3.2208 3.4251 3.4251 3.4454 3.4454 3.5953 3.5953 3.6134 3.6134 3.7719 3.7719 5.6097 5.6097 5.7953 5.7953 8.8968 8.8968 9.0405 9.0405 10.1088 10.1088 10.3874 10.3874 11.4612 11.4612 k = 0.3406 0.5648-0.0000 ( 5681 PWs) bands (ev): -23.6821 -23.6821 -23.6809 -23.6809 -7.4099 -7.4099 -7.4040 -7.4040 -7.1698 -7.1698 -7.1445 -7.1445 -7.1416 -7.1416 -7.1217 -7.1217 -4.4315 -4.4315 -4.4078 -4.4078 0.9169 0.9169 1.1084 1.1084 1.4654 1.4654 1.8473 1.8473 2.1382 2.1382 2.1953 2.1953 2.6056 2.6056 2.7276 2.7276 3.2257 3.2257 3.4299 3.4299 3.4420 3.4420 3.5992 3.5992 3.6112 3.6112 3.7356 3.7356 5.6150 5.6150 5.7969 5.7969 8.9260 8.9260 9.0064 9.0064 10.1223 10.1223 10.4055 10.4055 11.4483 11.4483 k = 0.3333 0.5774-0.0000 ( 5685 PWs) bands (ev): -23.6821 -23.6821 -23.6809 -23.6809 -7.4099 -7.4099 -7.4040 -7.4040 -7.1698 -7.1698 -7.1440 -7.1440 -7.1420 -7.1420 -7.1218 -7.1218 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8472 1.8472 2.1414 2.1414 2.1962 2.1962 2.6050 2.6050 2.7260 2.7260 3.2273 3.2273 3.4322 3.4322 3.4396 3.4396 3.6029 3.6029 3.6112 3.6112 3.7209 3.7209 5.6169 5.6169 5.7974 5.7974 8.9427 8.9427 8.9880 8.9880 10.1265 10.1265 10.4113 10.4113 11.4440 11.4440 k = 0.3333 0.5774-0.0000 ( 5685 PWs) bands (ev): -23.6821 -23.6821 -23.6809 -23.6809 -7.4099 -7.4099 -7.4040 -7.4040 -7.1698 -7.1698 -7.1440 -7.1440 -7.1420 -7.1420 -7.1218 -7.1218 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8472 1.8472 2.1414 2.1414 2.1962 2.1962 2.6050 2.6050 2.7260 2.7260 3.2273 3.2273 3.4322 3.4322 3.4396 3.4396 3.6029 3.6029 3.6112 3.6112 3.7209 3.7209 5.6169 5.6169 5.7974 5.7974 8.9427 8.9427 8.9880 8.9880 10.1265 10.1265 10.4113 10.4113 11.4440 11.4440 k = 0.3261 0.5648-0.0000 ( 5685 PWs) bands (ev): -23.6821 -23.6821 -23.6809 -23.6809 -7.4099 -7.4099 -7.4040 -7.4040 -7.1698 -7.1698 -7.1445 -7.1445 -7.1416 -7.1416 -7.1217 -7.1217 -4.4315 -4.4315 -4.4078 -4.4078 0.9169 0.9169 1.1083 1.1083 1.4655 1.4655 1.8473 1.8473 2.1382 2.1382 2.1953 2.1953 2.6056 2.6056 2.7276 2.7276 3.2260 3.2260 3.4295 3.4295 3.4424 3.4424 3.5980 3.5980 3.6124 3.6124 3.7354 3.7354 5.6148 5.6148 5.7970 5.7970 8.9276 8.9276 9.0050 9.0050 10.1226 10.1226 10.4061 10.4061 11.4483 11.4483 k = 0.3188 0.5522-0.0000 ( 5685 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4099 -7.4099 -7.4040 -7.4040 -7.1697 -7.1697 -7.1453 -7.1453 -7.1407 -7.1407 -7.1215 -7.1215 -4.4332 -4.4332 -4.4088 -4.4088 0.9172 0.9172 1.1062 1.1062 1.4672 1.4672 1.8477 1.8477 2.1288 2.1288 2.1928 2.1928 2.6072 2.6072 2.7324 2.7324 3.2225 3.2225 3.4248 3.4248 3.4462 3.4462 3.5912 3.5912 3.6169 3.6169 3.7712 3.7712 5.6083 5.6083 5.7956 5.7956 8.9045 8.9045 9.0341 9.0341 10.1116 10.1116 10.3913 10.3913 11.4610 11.4610 k = 0.3116 0.5397-0.0000 ( 5681 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4099 -7.4099 -7.4040 -7.4040 -7.1696 -7.1696 -7.1462 -7.1462 -7.1398 -7.1398 -7.1213 -7.1213 -4.4360 -4.4360 -4.4106 -4.4106 0.9175 0.9175 1.1026 1.1026 1.4703 1.4703 1.8484 1.8484 2.1138 2.1138 2.1890 2.1890 2.6098 2.6098 2.7401 2.7401 3.2181 3.2181 3.4194 3.4194 3.4468 3.4468 3.5913 3.5913 3.6271 3.6271 3.8187 3.8187 5.5970 5.5970 5.7933 5.7933 8.8837 8.8837 9.0656 9.0656 10.0945 10.0945 10.3687 10.3687 11.4820 11.4820 k = 0.3043 0.5271-0.0000 ( 5675 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4098 -7.4098 -7.4040 -7.4040 -7.1694 -7.1694 -7.1471 -7.1471 -7.1388 -7.1388 -7.1210 -7.1210 -4.4398 -4.4398 -4.4135 -4.4135 0.9179 0.9179 1.0974 1.0974 1.4747 1.4747 1.8493 1.8493 2.0941 2.0941 2.1843 2.1843 2.6131 2.6131 2.7504 2.7504 3.2135 3.2135 3.4128 3.4128 3.4450 3.4450 3.5960 3.5960 3.6483 3.6483 3.8736 3.8736 5.5808 5.5808 5.7899 5.7899 8.8669 8.8669 9.0982 9.0982 10.0719 10.0719 10.3394 10.3394 11.5108 11.5108 k = 0.2971 0.5146-0.0000 ( 5673 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4097 -7.4097 -7.4040 -7.4040 -7.1691 -7.1691 -7.1479 -7.1479 -7.1378 -7.1378 -7.1206 -7.1206 -4.4447 -4.4447 -4.4175 -4.4175 0.9181 0.9181 1.0908 1.0908 1.4804 1.4804 1.8504 1.8504 2.0707 2.0707 2.1786 2.1786 2.6170 2.6170 2.7626 2.7626 3.2096 3.2096 3.4058 3.4058 3.4434 3.4434 3.6006 3.6006 3.6829 3.6829 3.9341 3.9341 5.5597 5.5597 5.7853 5.7853 8.8547 8.8547 9.1319 9.1319 10.0448 10.0448 10.3049 10.3049 11.5467 11.5467 k = 0.2899 0.5020-0.0000 ( 5671 PWs) bands (ev): -23.6821 -23.6821 -23.6811 -23.6811 -7.4096 -7.4096 -7.4040 -7.4040 -7.1688 -7.1688 -7.1488 -7.1488 -7.1368 -7.1368 -7.1202 -7.1202 -4.4504 -4.4504 -4.4228 -4.4228 0.9182 0.9182 1.0830 1.0830 1.4873 1.4873 1.8518 1.8518 2.0447 2.0447 2.1720 2.1720 2.6217 2.6217 2.7764 2.7764 3.2068 3.2068 3.3997 3.3997 3.4433 3.4433 3.6044 3.6044 3.7289 3.7289 3.9991 3.9991 5.5338 5.5338 5.7790 5.7790 8.8474 8.8474 9.1669 9.1669 10.0136 10.0136 10.2659 10.2659 11.5887 11.5887 k = 0.2826 0.4895-0.0000 ( 5667 PWs) bands (ev): -23.6822 -23.6822 -23.6811 -23.6811 -7.4094 -7.4094 -7.4040 -7.4040 -7.1684 -7.1684 -7.1496 -7.1496 -7.1358 -7.1358 -7.1197 -7.1197 -4.4571 -4.4571 -4.4294 -4.4294 0.9181 0.9181 1.0741 1.0741 1.4951 1.4951 1.8532 1.8532 2.0171 2.0171 2.1644 2.1644 2.6271 2.6271 2.7912 2.7912 3.2059 3.2059 3.3961 3.3961 3.4451 3.4451 3.6079 3.6079 3.7837 3.7837 4.0681 4.0681 5.5035 5.5035 5.7709 5.7709 8.8452 8.8452 9.2032 9.2032 9.9790 9.9790 10.2235 10.2235 11.6333 11.6333 k = 0.2754 0.4769-0.0000 ( 5659 PWs) bands (ev): -23.6822 -23.6822 -23.6811 -23.6811 -7.4091 -7.4091 -7.4040 -7.4040 -7.1679 -7.1679 -7.1504 -7.1504 -7.1348 -7.1348 -7.1191 -7.1191 -4.4646 -4.4646 -4.4374 -4.4374 0.9177 0.9177 1.0646 1.0646 1.5035 1.5035 1.8547 1.8547 1.9888 1.9888 2.1558 2.1558 2.6334 2.6334 2.8068 2.8068 3.2073 3.2073 3.3959 3.3959 3.4486 3.4486 3.6115 3.6115 3.8458 3.8458 4.1406 4.1406 5.4690 5.4690 5.7607 5.7607 8.8483 8.8483 9.2411 9.2411 9.9413 9.9413 10.1785 10.1785 11.6359 11.6359 k = 0.2681 0.4644-0.0000 ( 5657 PWs) bands (ev): -23.6823 -23.6823 -23.6812 -23.6812 -7.4088 -7.4088 -7.4040 -7.4040 -7.1673 -7.1673 -7.1512 -7.1512 -7.1338 -7.1338 -7.1185 -7.1185 -4.4730 -4.4730 -4.4468 -4.4468 0.9168 0.9168 1.0546 1.0546 1.5124 1.5124 1.8559 1.8559 1.9605 1.9605 2.1464 2.1464 2.6406 2.6406 2.8228 2.8228 3.2116 3.2116 3.3992 3.3992 3.4541 3.4541 3.6157 3.6157 3.9139 3.9139 4.2163 4.2163 5.4305 5.4305 5.7482 5.7482 8.8568 8.8568 9.2805 9.2805 9.9008 9.9008 10.1314 10.1314 11.5474 11.5474 k = 0.2609 0.4518-0.0000 ( 5657 PWs) bands (ev): -23.6823 -23.6823 -23.6813 -23.6813 -7.4084 -7.4084 -7.4040 -7.4040 -7.1667 -7.1667 -7.1520 -7.1520 -7.1327 -7.1327 -7.1179 -7.1179 -4.4823 -4.4823 -4.4576 -4.4576 0.9156 0.9156 1.0445 1.0445 1.5212 1.5212 1.8565 1.8565 1.9331 1.9331 2.1361 2.1361 2.6489 2.6489 2.8387 2.8387 3.2189 3.2189 3.4057 3.4057 3.4620 3.4620 3.6207 3.6207 3.9873 3.9873 4.2950 4.2950 5.3884 5.3884 5.7334 5.7334 8.8706 8.8706 9.3214 9.3214 9.8579 9.8579 10.0829 10.0829 11.4489 11.4489 k = 0.2536 0.4393-0.0000 ( 5665 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4079 -7.4079 -7.4039 -7.4039 -7.1659 -7.1659 -7.1528 -7.1528 -7.1317 -7.1317 -7.1173 -7.1173 -4.4924 -4.4924 -4.4697 -4.4697 0.9140 0.9140 1.0344 1.0344 1.5298 1.5298 1.8549 1.8549 1.9086 1.9086 2.1250 2.1250 2.6583 2.6583 2.8544 2.8544 3.2296 3.2296 3.4147 3.4147 3.4735 3.4735 3.6268 3.6268 4.0653 4.0653 4.3763 4.3763 5.3430 5.3430 5.7162 5.7162 8.8896 8.8896 9.3635 9.3635 9.8126 9.8126 10.0338 10.0338 11.3502 11.3502 k = 0.2464 0.4267-0.0000 ( 5673 PWs) bands (ev): -23.6825 -23.6825 -23.6814 -23.6814 -7.4074 -7.4074 -7.4039 -7.4039 -7.1651 -7.1651 -7.1536 -7.1536 -7.1306 -7.1306 -7.1166 -7.1166 -4.5033 -4.5033 -4.4831 -4.4831 0.9119 0.9119 1.0246 1.0246 1.5380 1.5380 1.8470 1.8470 1.8913 1.8913 2.1133 2.1133 2.6689 2.6689 2.8695 2.8695 3.2435 3.2435 3.4246 3.4246 3.4902 3.4902 3.6345 3.6345 4.1475 4.1475 4.4602 4.4602 5.2946 5.2946 5.6966 5.6966 8.9139 8.9139 9.4062 9.4062 9.7651 9.7651 9.9851 9.9851 11.2527 11.2527 k = 0.2391 0.4142-0.0000 ( 5669 PWs) bands (ev): -23.6826 -23.6826 -23.6815 -23.6815 -7.4068 -7.4068 -7.4038 -7.4038 -7.1643 -7.1643 -7.1544 -7.1544 -7.1295 -7.1295 -7.1160 -7.1160 -4.5151 -4.5151 -4.4976 -4.4976 0.9095 0.9095 1.0151 1.0151 1.5454 1.5454 1.8295 1.8295 1.8846 1.8846 2.1013 2.1013 2.6806 2.6806 2.8838 2.8838 3.2603 3.2603 3.4344 3.4344 3.5135 3.5135 3.6443 3.6443 4.2332 4.2332 4.5462 4.5462 5.2437 5.2437 5.6748 5.6748 8.9431 8.9431 9.4483 9.4483 9.7153 9.7153 9.9383 9.9383 11.1573 11.1573 k = 0.2319 0.4016-0.0000 ( 5665 PWs) bands (ev): -23.6827 -23.6827 -23.6816 -23.6816 -7.4063 -7.4063 -7.4036 -7.4036 -7.1634 -7.1634 -7.1550 -7.1550 -7.1284 -7.1284 -7.1153 -7.1153 -4.5280 -4.5280 -4.5129 -4.5129 0.9068 0.9068 1.0061 1.0061 1.5518 1.5518 1.8067 1.8067 1.8842 1.8842 2.0890 2.0890 2.6934 2.6934 2.8972 2.8972 3.2793 3.2793 3.4435 3.4435 3.5439 3.5439 3.6571 3.6571 4.3221 4.3221 4.6340 4.6340 5.1907 5.1907 5.6509 5.6509 8.9771 8.9771 9.4873 9.4873 9.6633 9.6633 9.8961 9.8961 11.0644 11.0644 k = 0.2246 0.3891-0.0000 ( 5665 PWs) bands (ev): -23.6828 -23.6828 -23.6817 -23.6817 -7.4060 -7.4060 -7.4031 -7.4031 -7.1626 -7.1626 -7.1555 -7.1555 -7.1272 -7.1272 -7.1147 -7.1147 -4.5425 -4.5425 -4.5285 -4.5285 0.9039 0.9039 0.9975 0.9975 1.5572 1.5572 1.7826 1.7826 1.8864 1.8864 2.0768 2.0768 2.7071 2.7071 2.9095 2.9095 3.2995 3.2995 3.4523 3.4523 3.5814 3.5814 3.6739 3.6739 4.4137 4.4137 4.7230 4.7230 5.1362 5.1362 5.6251 5.6251 9.0154 9.0154 9.5187 9.5187 9.6091 9.6091 9.8631 9.8631 10.9745 10.9745 k = 0.2174 0.3765-0.0000 ( 5647 PWs) bands (ev): -23.6828 -23.6828 -23.6818 -23.6818 -7.4058 -7.4058 -7.4024 -7.4024 -7.1622 -7.1622 -7.1556 -7.1556 -7.1260 -7.1260 -7.1141 -7.1141 -4.5590 -4.5590 -4.5436 -4.5436 0.9009 0.9009 0.9894 0.9894 1.5613 1.5613 1.7586 1.7586 1.8898 1.8898 2.0649 2.0649 2.7217 2.7217 2.9208 2.9208 3.3200 3.3200 3.4610 3.4610 3.6249 3.6249 3.6963 3.6963 4.5075 4.5075 4.8118 4.8118 5.0819 5.0819 5.5979 5.5979 9.0575 9.0575 9.5328 9.5328 9.5554 9.5554 9.8467 9.8467 10.8879 10.8879 k = 0.2101 0.3640-0.0000 ( 5639 PWs) bands (ev): -23.6829 -23.6829 -23.6819 -23.6819 -7.4059 -7.4059 -7.4014 -7.4014 -7.1621 -7.1621 -7.1552 -7.1552 -7.1247 -7.1247 -7.1134 -7.1134 -4.5776 -4.5776 -4.5582 -4.5582 0.8980 0.8980 0.9816 0.9816 1.5642 1.5642 1.7353 1.7353 1.8938 1.8938 2.0536 2.0536 2.7370 2.7370 2.9312 2.9312 3.3392 3.3392 3.4701 3.4701 3.6733 3.6733 3.7266 3.7266 4.6028 4.6028 4.8948 4.8948 5.0336 5.0336 5.5697 5.5697 9.1022 9.1022 9.4898 9.4898 9.5361 9.5361 9.8534 9.8534 10.8049 10.8049 k = 0.2029 0.3514-0.0000 ( 5645 PWs) bands (ev): -23.6831 -23.6831 -23.6820 -23.6820 -7.4061 -7.4061 -7.4002 -7.4002 -7.1625 -7.1625 -7.1542 -7.1542 -7.1234 -7.1234 -7.1128 -7.1128 -4.5979 -4.5979 -4.5725 -4.5725 0.8951 0.8951 0.9741 0.9741 1.5658 1.5658 1.7128 1.7128 1.8984 1.8984 2.0430 2.0430 2.7528 2.7528 2.9408 2.9408 3.3561 3.3561 3.4795 3.4795 3.7239 3.7239 3.7682 3.7682 4.6977 4.6977 4.9295 4.9295 5.0346 5.0346 5.5414 5.5414 9.1473 9.1473 9.4289 9.4289 9.5147 9.5147 9.8823 9.8823 10.7258 10.7258 k = 0.1957 0.3389-0.0000 ( 5645 PWs) bands (ev): -23.6832 -23.6832 -23.6821 -23.6821 -7.4064 -7.4064 -7.3990 -7.3990 -7.1633 -7.1633 -7.1529 -7.1529 -7.1220 -7.1220 -7.1122 -7.1122 -4.6193 -4.6193 -4.5866 -4.5866 0.8924 0.8924 0.9668 0.9668 1.5661 1.5661 1.6913 1.6913 1.9033 1.9033 2.0333 2.0333 2.7689 2.7689 2.9498 2.9498 3.3701 3.3701 3.4889 3.4889 3.7753 3.7753 3.8229 3.8229 4.7822 4.7822 4.9014 4.9014 5.1080 5.1080 5.5147 5.5147 9.1876 9.1876 9.3672 9.3672 9.4856 9.4856 9.9266 9.9266 10.6508 10.6508 k = 0.1884 0.3263-0.0000 ( 5633 PWs) bands (ev): -23.6833 -23.6833 -23.6822 -23.6822 -7.4068 -7.4068 -7.3976 -7.3976 -7.1641 -7.1641 -7.1512 -7.1512 -7.1206 -7.1206 -7.1116 -7.1116 -4.6417 -4.6417 -4.6007 -4.6007 0.8900 0.8900 0.9596 0.9596 1.5652 1.5652 1.6710 1.6710 1.9086 1.9086 2.0246 2.0246 2.7854 2.7854 2.9584 2.9584 3.3811 3.3811 3.4980 3.4980 3.8301 3.8301 3.8885 3.8885 4.7943 4.7943 4.9324 4.9324 5.1898 5.1898 5.4936 5.4936 9.2074 9.2074 9.3115 9.3115 9.4632 9.4632 9.9802 9.9802 10.5801 10.5801 k = 0.1812 0.3138-0.0000 ( 5635 PWs) bands (ev): -23.6835 -23.6835 -23.6824 -23.6824 -7.4073 -7.4073 -7.3961 -7.3961 -7.1651 -7.1651 -7.1494 -7.1494 -7.1191 -7.1191 -7.1111 -7.1111 -4.6649 -4.6649 -4.6148 -4.6148 0.8877 0.8877 0.9525 0.9525 1.5632 1.5632 1.6518 1.6518 1.9142 1.9142 2.0171 2.0171 2.8019 2.8019 2.9668 2.9668 3.3895 3.3895 3.5064 3.5064 3.8907 3.8907 3.9618 3.9618 4.7447 4.7447 5.0229 5.0229 5.2590 5.2590 5.4881 5.4881 9.1800 9.1800 9.2725 9.2725 9.4668 9.4668 10.0391 10.0391 10.5138 10.5138 k = 0.1739 0.3012-0.0000 ( 5649 PWs) bands (ev): -23.6836 -23.6836 -23.6825 -23.6825 -7.4079 -7.4079 -7.3946 -7.3946 -7.1662 -7.1662 -7.1474 -7.1474 -7.1176 -7.1176 -7.1105 -7.1105 -4.6886 -4.6886 -4.6289 -4.6289 0.8857 0.8857 0.9454 0.9454 1.5603 1.5603 1.6338 1.6338 1.9200 1.9200 2.0108 2.0108 2.8185 2.8185 2.9752 2.9752 3.3956 3.3956 3.5140 3.5140 3.9581 3.9581 4.0410 4.0410 4.6856 4.6856 5.1213 5.1213 5.2959 5.2959 5.5172 5.5172 9.1179 9.1179 9.2324 9.2324 9.5032 9.5032 10.1008 10.1008 10.4525 10.4525 k = 0.1667 0.2887-0.0000 ( 5653 PWs) bands (ev): -23.6838 -23.6838 -23.6827 -23.6827 -7.4086 -7.4086 -7.3930 -7.3930 -7.1673 -7.1673 -7.1453 -7.1453 -7.1161 -7.1161 -7.1100 -7.1100 -4.7127 -4.7127 -4.6429 -4.6429 0.8839 0.8839 0.9382 0.9382 1.5565 1.5565 1.6171 1.6171 1.9259 1.9259 2.0057 2.0057 2.8351 2.8351 2.9838 2.9838 3.4001 3.4001 3.5207 3.5207 4.0321 4.0321 4.1251 4.1251 4.6246 4.6246 5.2136 5.2136 5.3040 5.3040 5.5840 5.5840 9.0446 9.0446 9.1806 9.1806 9.5603 9.5603 10.1628 10.1628 10.3970 10.3970 k = 0.1594 0.2761-0.0000 ( 5645 PWs) bands (ev): -23.6839 -23.6839 -23.6828 -23.6828 -7.4094 -7.4094 -7.3914 -7.3914 -7.1684 -7.1684 -7.1430 -7.1430 -7.1145 -7.1145 -7.1095 -7.1095 -4.7371 -4.7371 -4.6568 -4.6568 0.8823 0.8823 0.9310 0.9310 1.5521 1.5521 1.6017 1.6017 1.9320 1.9320 2.0018 2.0018 2.8515 2.8515 2.9928 2.9928 3.4033 3.4033 3.5266 3.5266 4.1119 4.1119 4.2133 4.2133 4.5639 4.5639 5.2464 5.2464 5.3533 5.3533 5.6702 5.6702 8.9667 8.9667 9.1207 9.1207 9.6281 9.6281 10.2193 10.2193 10.3523 10.3523 k = 0.1522 0.2636-0.0000 ( 5637 PWs) bands (ev): -23.6840 -23.6840 -23.6829 -23.6829 -7.4102 -7.4102 -7.3897 -7.3897 -7.1695 -7.1695 -7.1407 -7.1407 -7.1129 -7.1129 -7.1090 -7.1090 -4.7617 -4.7617 -4.6705 -4.6705 0.8808 0.8808 0.9238 0.9238 1.5473 1.5473 1.5877 1.5877 1.9380 1.9380 1.9991 1.9991 2.8678 2.8678 3.0022 3.0022 3.4055 3.4055 3.5317 3.5317 4.1961 4.1961 4.3037 4.3037 4.5067 4.5067 5.2247 5.2247 5.4499 5.4499 5.7641 5.7641 8.8862 8.8862 9.0552 9.0552 9.7021 9.7021 10.2442 10.2442 10.3436 10.3436 k = 0.1449 0.2510-0.0000 ( 5639 PWs) bands (ev): -23.6842 -23.6842 -23.6830 -23.6830 -7.4112 -7.4112 -7.3881 -7.3881 -7.1705 -7.1705 -7.1382 -7.1382 -7.1113 -7.1113 -7.1085 -7.1085 -4.7862 -4.7862 -4.6839 -4.6839 0.8793 0.8793 0.9164 0.9164 1.5421 1.5421 1.5751 1.5751 1.9440 1.9440 1.9977 1.9977 2.8840 2.8840 3.0123 3.0123 3.4069 3.4069 3.5361 3.5361 4.2789 4.2789 4.3855 4.3855 4.4687 4.4687 5.1933 5.1933 5.5529 5.5529 5.8609 5.8609 8.8037 8.8037 8.9855 8.9855 9.7796 9.7796 10.2200 10.2200 10.3883 10.3883 k = 0.1377 0.2385-0.0000 ( 5643 PWs) bands (ev): -23.6843 -23.6843 -23.6832 -23.6832 -7.4123 -7.4123 -7.3864 -7.3864 -7.1716 -7.1716 -7.1358 -7.1358 -7.1097 -7.1097 -7.1080 -7.1080 -4.8105 -4.8105 -4.6970 -4.6970 0.8778 0.8778 0.9090 0.9090 1.5367 1.5367 1.5639 1.5639 1.9496 1.9496 1.9974 1.9974 2.9000 2.9000 3.0229 3.0229 3.4078 3.4078 3.5399 3.5399 4.3205 4.3205 4.4265 4.4265 4.5217 4.5217 5.1592 5.1592 5.6569 5.6569 5.9586 5.9586 8.7199 8.7199 8.9119 8.9119 9.8581 9.8581 10.1859 10.1859 10.4476 10.4476 k = 0.1304 0.2259-0.0000 ( 5631 PWs) bands (ev): -23.6844 -23.6844 -23.6833 -23.6833 -7.4135 -7.4135 -7.3847 -7.3847 -7.1725 -7.1725 -7.1332 -7.1332 -7.1083 -7.1083 -7.1073 -7.1073 -4.8345 -4.8345 -4.7098 -4.7098 0.8762 0.8762 0.9015 0.9015 1.5313 1.5313 1.5543 1.5543 1.9548 1.9548 1.9984 1.9984 2.9158 2.9158 3.0342 3.0342 3.4083 3.4083 3.5431 3.5431 4.2838 4.2838 4.5093 4.5093 4.6191 4.6191 5.1248 5.1248 5.7605 5.7605 6.0561 6.0561 8.6351 8.6351 8.8347 8.8347 9.9321 9.9321 10.1590 10.1590 10.5082 10.5082 k = 0.1232 0.2134-0.0000 ( 5623 PWs) bands (ev): -23.6846 -23.6846 -23.6834 -23.6834 -7.4147 -7.4147 -7.3831 -7.3831 -7.1735 -7.1735 -7.1306 -7.1306 -7.1074 -7.1074 -7.1062 -7.1062 -4.8581 -4.8581 -4.7221 -4.7221 0.8745 0.8745 0.8939 0.8939 1.5258 1.5258 1.5462 1.5462 1.9594 1.9594 2.0008 2.0008 2.9317 2.9317 3.0462 3.0462 3.4084 3.4084 3.5458 3.5458 4.2291 4.2291 4.6106 4.6106 4.7228 4.7228 5.0915 5.0915 5.8632 5.8632 6.1526 6.1526 8.5494 8.5494 8.7540 8.7540 9.9861 9.9861 10.1563 10.1563 10.5672 10.5672 k = 0.1159 0.2008-0.0000 ( 5631 PWs) bands (ev): -23.6847 -23.6847 -23.6836 -23.6836 -7.4160 -7.4160 -7.3815 -7.3815 -7.1744 -7.1744 -7.1281 -7.1281 -7.1068 -7.1068 -7.1047 -7.1047 -4.8811 -4.8811 -4.7340 -4.7340 0.8727 0.8727 0.8864 0.8864 1.5203 1.5203 1.5397 1.5397 1.9632 1.9632 2.0043 2.0043 2.9476 2.9476 3.0586 3.0586 3.4084 3.4084 3.5480 3.5480 4.1716 4.1716 4.7176 4.7176 4.8272 4.8272 5.0625 5.0625 5.9644 5.9644 6.2474 6.2474 8.4630 8.4630 8.6697 8.6697 9.9983 9.9983 10.1996 10.1996 10.6229 10.6229 k = 0.1087 0.1883-0.0000 ( 5627 PWs) bands (ev): -23.6848 -23.6848 -23.6837 -23.6837 -7.4173 -7.4173 -7.3800 -7.3800 -7.1752 -7.1752 -7.1256 -7.1256 -7.1062 -7.1062 -7.1031 -7.1031 -4.9034 -4.9034 -4.7453 -4.7453 0.8707 0.8707 0.8789 0.8789 1.5150 1.5150 1.5346 1.5346 1.9663 1.9663 2.0089 2.0089 2.9637 2.9637 3.0716 3.0716 3.4082 3.4082 3.5496 3.5496 4.1141 4.1141 4.8253 4.8253 4.9218 4.9218 5.0505 5.0505 6.0636 6.0636 6.3399 6.3399 8.3761 8.3761 8.5818 8.5818 9.9820 9.9820 10.2752 10.2752 10.6746 10.6746 k = 0.1014 0.1757-0.0000 ( 5627 PWs) bands (ev): -23.6850 -23.6850 -23.6838 -23.6838 -7.4187 -7.4187 -7.3785 -7.3785 -7.1759 -7.1759 -7.1232 -7.1232 -7.1057 -7.1057 -7.1015 -7.1015 -4.9249 -4.9249 -4.7562 -4.7562 0.8684 0.8684 0.8716 0.8716 1.5099 1.5099 1.5308 1.5308 1.9688 1.9688 2.0144 2.0144 2.9802 2.9802 3.0847 3.0847 3.4080 3.4080 3.5505 3.5505 4.0575 4.0575 4.9078 4.9078 4.9866 4.9866 5.1004 5.1004 6.1602 6.1602 6.4295 6.4295 8.2885 8.2885 8.4903 8.4903 9.9572 9.9572 10.3625 10.3625 10.7217 10.7217 k = 0.0942 0.1632-0.0000 ( 5623 PWs) bands (ev): -23.6851 -23.6851 -23.6839 -23.6839 -7.4201 -7.4201 -7.3771 -7.3771 -7.1766 -7.1766 -7.1208 -7.1208 -7.1050 -7.1050 -7.1000 -7.1000 -4.9455 -4.9455 -4.7664 -4.7664 0.8640 0.8640 0.8665 0.8665 1.5052 1.5052 1.5281 1.5281 1.9709 1.9709 2.0204 2.0204 2.9971 2.9971 3.0980 3.0980 3.4078 3.4078 3.5507 3.5507 4.0023 4.0023 4.9106 4.9106 5.0858 5.0858 5.2019 5.2019 6.2537 6.2537 6.5158 6.5158 8.2005 8.2005 8.3952 8.3952 9.9306 9.9306 10.4535 10.4535 10.7643 10.7643 k = 0.0870 0.1506-0.0000 ( 5615 PWs) bands (ev): -23.6852 -23.6852 -23.6840 -23.6840 -7.4215 -7.4215 -7.3757 -7.3757 -7.1772 -7.1772 -7.1187 -7.1187 -7.1043 -7.1043 -7.0986 -7.0986 -4.9650 -4.9650 -4.7760 -4.7760 0.8571 0.8571 0.8639 0.8639 1.5010 1.5010 1.5263 1.5263 1.9726 1.9726 2.0267 2.0267 3.0147 3.0147 3.1113 3.1113 3.4076 3.4076 3.5500 3.5500 3.9490 3.9490 4.8871 4.8871 5.2047 5.2047 5.3156 5.3156 6.3434 6.3434 6.5982 6.5982 8.1117 8.1117 8.2965 8.2965 9.9045 9.9045 10.5447 10.5447 10.8017 10.8017 k = 0.0797 0.1381-0.0000 ( 5605 PWs) bands (ev): -23.6853 -23.6853 -23.6841 -23.6841 -7.4228 -7.4228 -7.3745 -7.3745 -7.1778 -7.1778 -7.1168 -7.1168 -7.1035 -7.1035 -7.0972 -7.0972 -4.9834 -4.9834 -4.7850 -4.7850 0.8504 0.8504 0.8614 0.8614 1.4974 1.4974 1.5253 1.5253 1.9740 1.9740 2.0332 2.0332 3.0330 3.0330 3.1242 3.1242 3.4076 3.4076 3.5481 3.5481 3.8980 3.8980 4.8596 4.8596 5.3290 5.3290 5.4333 5.4333 6.4289 6.4289 6.6762 6.6762 8.0223 8.0223 8.1943 8.1943 9.8795 9.8795 10.6329 10.6329 10.8302 10.8302 k = 0.0725 0.1255-0.0000 ( 5609 PWs) bands (ev): -23.6854 -23.6854 -23.6842 -23.6842 -7.4242 -7.4242 -7.3733 -7.3733 -7.1783 -7.1783 -7.1151 -7.1151 -7.1025 -7.1025 -7.0959 -7.0959 -5.0005 -5.0005 -4.7932 -4.7932 0.8440 0.8440 0.8588 0.8588 1.4942 1.4942 1.5250 1.5250 1.9752 1.9752 2.0395 2.0395 3.0522 3.0522 3.1367 3.1367 3.4077 3.4077 3.5446 3.5446 3.8499 3.8499 4.8319 4.8319 5.4562 5.4562 5.5526 5.5526 6.5093 6.5093 6.7494 6.7494 7.9320 7.9320 8.0887 8.0887 9.8561 9.8561 10.7133 10.7133 10.8427 10.8427 k = 0.0652 0.1130-0.0000 ( 5605 PWs) bands (ev): -23.6855 -23.6855 -23.6843 -23.6843 -7.4255 -7.4255 -7.3723 -7.3723 -7.1787 -7.1787 -7.1137 -7.1137 -7.1014 -7.1014 -7.0947 -7.0947 -5.0163 -5.0163 -4.8008 -4.8008 0.8380 0.8380 0.8563 0.8563 1.4915 1.4915 1.5252 1.5252 1.9763 1.9763 2.0456 2.0456 3.0723 3.0723 3.1486 3.1486 3.4080 3.4080 3.5390 3.5390 3.8054 3.8054 4.8054 4.8054 5.5855 5.5855 5.6727 5.6727 6.5841 6.5841 6.8172 6.8172 7.8409 7.8409 7.9801 7.9801 9.8345 9.8345 10.7691 10.7691 10.8508 10.8508 k = 0.0580 0.1004-0.0000 ( 5599 PWs) bands (ev): -23.6856 -23.6856 -23.6844 -23.6844 -7.4267 -7.4267 -7.3713 -7.3713 -7.1791 -7.1791 -7.1126 -7.1126 -7.1002 -7.1002 -7.0935 -7.0935 -5.0307 -5.0307 -4.8076 -4.8076 0.8324 0.8324 0.8538 0.8538 1.4892 1.4892 1.5257 1.5257 1.9773 1.9773 2.0514 2.0514 3.0935 3.0935 3.1596 3.1596 3.4084 3.4084 3.5304 3.5304 3.7654 3.7654 4.7806 4.7806 5.7165 5.7165 5.7929 5.7929 6.6526 6.6526 6.8790 6.8790 7.7486 7.7486 7.8690 7.8690 9.8147 9.8147 10.7673 10.7673 10.8935 10.8935 k = 0.0507 0.0879-0.0000 ( 5597 PWs) bands (ev): -23.6857 -23.6857 -23.6844 -23.6844 -7.4278 -7.4278 -7.3705 -7.3705 -7.1795 -7.1795 -7.1118 -7.1118 -7.0990 -7.0990 -7.0925 -7.0925 -5.0436 -5.0436 -4.8137 -4.8137 0.8274 0.8274 0.8515 0.8515 1.4873 1.4873 1.5265 1.5265 1.9781 1.9781 2.0567 2.0567 3.1158 3.1158 3.1697 3.1697 3.4090 3.4090 3.5180 3.5180 3.7310 3.7310 4.7579 4.7579 5.8483 5.8483 5.9123 5.9123 6.7140 6.7140 6.9344 6.9344 7.6551 7.6551 7.7562 7.7562 9.7968 9.7968 10.7381 10.7381 10.9401 10.9401 k = 0.0435 0.0753-0.0000 ( 5601 PWs) bands (ev): -23.6858 -23.6858 -23.6845 -23.6845 -7.4288 -7.4288 -7.3697 -7.3697 -7.1797 -7.1797 -7.1111 -7.1111 -7.0978 -7.0978 -7.0916 -7.0916 -5.0548 -5.0548 -4.8189 -4.8189 0.8229 0.8229 0.8493 0.8493 1.4858 1.4858 1.5275 1.5275 1.9788 1.9788 2.0615 2.0615 3.1392 3.1392 3.1787 3.1787 3.4097 3.4097 3.5008 3.5008 3.7031 3.7031 4.7376 4.7376 5.9803 5.9803 6.0303 6.0303 6.7678 6.7678 6.9824 6.9824 7.5596 7.5596 7.6437 7.6437 9.7811 9.7811 10.7032 10.7032 10.9386 10.9386 k = 0.0362 0.0628-0.0000 ( 5603 PWs) bands (ev): -23.6858 -23.6858 -23.6846 -23.6846 -7.4297 -7.4297 -7.3691 -7.3691 -7.1800 -7.1800 -7.1106 -7.1106 -7.0967 -7.0967 -7.0908 -7.0908 -5.0645 -5.0645 -4.8234 -4.8234 0.8190 0.8190 0.8474 0.8474 1.4846 1.4846 1.5285 1.5285 1.9793 1.9793 2.0657 2.0657 3.1636 3.1636 3.1865 3.1865 3.4105 3.4105 3.4790 3.4790 3.6820 3.6820 4.7200 4.7200 6.1107 6.1107 6.1469 6.1469 6.8133 6.8133 7.0218 7.0218 7.4606 7.4606 7.5354 7.5354 9.7674 9.7674 10.6682 10.6682 10.9035 10.9035 k = 0.0290 0.0502-0.0000 ( 5605 PWs) bands (ev): -23.6859 -23.6859 -23.6846 -23.6846 -7.4304 -7.4304 -7.3686 -7.3686 -7.1802 -7.1802 -7.1103 -7.1103 -7.0957 -7.0957 -7.0902 -7.0902 -5.0725 -5.0725 -4.8271 -4.8271 0.8158 0.8158 0.8458 0.8458 1.4836 1.4836 1.5295 1.5295 1.9798 1.9798 2.0693 2.0693 3.1887 3.1887 3.1930 3.1930 3.4112 3.4112 3.4533 3.4533 3.6671 3.6671 4.7053 4.7053 6.2338 6.2338 6.2646 6.2646 6.8495 6.8495 7.0508 7.0508 7.3556 7.3556 7.4380 7.4380 9.7561 9.7561 10.6361 10.6361 10.8695 10.8695 k = 0.0217 0.0377-0.0000 ( 5609 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4310 -7.4310 -7.3682 -7.3682 -7.1803 -7.1803 -7.1100 -7.1100 -7.0949 -7.0949 -7.0897 -7.0897 -5.0787 -5.0787 -4.8300 -4.8300 0.8133 0.8133 0.8444 0.8444 1.4829 1.4829 1.5303 1.5303 1.9802 1.9802 2.0721 2.0721 3.1979 3.1979 3.2145 3.2145 3.4119 3.4119 3.4257 3.4257 3.6571 3.6571 4.6937 4.6937 6.3404 6.3404 6.3883 6.3883 6.8750 6.8750 7.0663 7.0663 7.2463 7.2463 7.3579 7.3579 9.7471 9.7471 10.6090 10.6090 10.8426 10.8426 k = 0.0145 0.0251-0.0000 ( 5609 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4314 -7.4314 -7.3679 -7.3679 -7.1804 -7.1804 -7.1098 -7.1098 -7.0943 -7.0943 -7.0893 -7.0893 -5.0832 -5.0832 -4.8321 -4.8321 0.8114 0.8114 0.8435 0.8435 1.4825 1.4825 1.5310 1.5310 1.9804 1.9804 2.0741 2.0741 3.2015 3.2015 3.2394 3.2394 3.3984 3.3984 3.4126 3.4126 3.6509 3.6509 4.6853 4.6853 6.4277 6.4277 6.5123 6.5123 6.8854 6.8854 7.0648 7.0648 7.1423 7.1423 7.3010 7.3010 9.7406 9.7406 10.5886 10.5886 10.8235 10.8235 k = 0.0072 0.0126-0.0000 ( 5619 PWs) bands (ev): -23.6860 -23.6860 -23.6847 -23.6847 -7.4317 -7.4317 -7.3677 -7.3677 -7.1805 -7.1805 -7.1097 -7.1097 -7.0939 -7.0939 -7.0891 -7.0891 -5.0859 -5.0859 -4.8333 -4.8333 0.8103 0.8103 0.8429 0.8429 1.4822 1.4822 1.5314 1.5314 1.9806 1.9806 2.0753 2.0753 3.2037 3.2037 3.2604 3.2604 3.3756 3.3756 3.4129 3.4129 3.6475 3.6475 4.6802 4.6802 6.4888 6.4888 6.6252 6.6252 6.8695 6.8695 7.0468 7.0468 7.0683 7.0683 7.2706 7.2706 9.7366 9.7366 10.5759 10.5759 10.8122 10.8122 k = 0.0000 0.0000 0.0000 ( 5611 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4318 -7.4318 -7.3676 -7.3676 -7.1805 -7.1805 -7.1097 -7.1097 -7.0938 -7.0938 -7.0891 -7.0891 -5.0868 -5.0868 -4.8337 -4.8337 0.8100 0.8100 0.8427 0.8427 1.4821 1.4821 1.5315 1.5315 1.9806 1.9806 2.0757 2.0757 3.2045 3.2045 3.2697 3.2697 3.3656 3.3656 3.4131 3.4131 3.6464 3.6464 4.6785 4.6785 6.5115 6.5115 6.6865 6.6865 6.8417 6.8417 7.0291 7.0291 7.0506 7.0506 7.2618 7.2618 9.7353 9.7353 10.5716 10.5716 10.8084 10.8084 k = 0.0000 0.0000 0.0000 ( 5611 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4318 -7.4318 -7.3676 -7.3676 -7.1805 -7.1805 -7.1097 -7.1097 -7.0938 -7.0938 -7.0891 -7.0891 -5.0868 -5.0868 -4.8337 -4.8337 0.8100 0.8100 0.8427 0.8427 1.4821 1.4821 1.5315 1.5315 1.9806 1.9806 2.0757 2.0757 3.2045 3.2045 3.2697 3.2697 3.3656 3.3656 3.4131 3.4131 3.6464 3.6464 4.6785 4.6785 6.5115 6.5115 6.6865 6.6865 6.8417 6.8417 7.0291 7.0291 7.0506 7.0506 7.2618 7.2618 9.7353 9.7353 10.5716 10.5716 10.8084 10.8084 k = 0.0000 0.0000 0.0140 ( 5612 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4316 -7.4316 -7.3677 -7.3677 -7.1804 -7.1804 -7.1099 -7.1099 -7.0938 -7.0938 -7.0891 -7.0891 -5.0862 -5.0862 -4.8343 -4.8343 0.8100 0.8100 0.8426 0.8426 1.4822 1.4822 1.5314 1.5314 1.9808 1.9808 2.0754 2.0754 3.2046 3.2046 3.2695 3.2695 3.3658 3.3658 3.4130 3.4130 3.6482 3.6482 4.6756 4.6756 6.5129 6.5129 6.6866 6.6866 6.8421 6.8421 7.0296 7.0296 7.0501 7.0501 7.2613 7.2613 9.7364 9.7364 10.5727 10.5727 10.8098 10.8098 k = 0.0000 0.0000 0.0280 ( 5606 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4311 -7.4311 -7.3680 -7.3680 -7.1801 -7.1801 -7.1105 -7.1105 -7.0938 -7.0938 -7.0891 -7.0891 -5.0846 -5.0846 -4.8358 -4.8358 0.8102 0.8102 0.8424 0.8424 1.4825 1.4825 1.5311 1.5311 1.9812 1.9812 2.0745 2.0745 3.2050 3.2050 3.2691 3.2691 3.3662 3.3662 3.4127 3.4127 3.6538 3.6538 4.6670 4.6670 6.5170 6.5170 6.6869 6.6869 6.8433 6.8433 7.0310 7.0310 7.0486 7.0486 7.2596 7.2596 9.7397 9.7397 10.5759 10.5759 10.8138 10.8138 k = 0.0000 0.0000 0.0421 ( 5606 PWs) bands (ev): -23.6859 -23.6859 -23.6847 -23.6847 -7.4303 -7.4303 -7.3685 -7.3685 -7.1796 -7.1796 -7.1116 -7.1116 -7.0937 -7.0937 -7.0891 -7.0891 -5.0818 -5.0818 -4.8384 -4.8384 0.8106 0.8106 0.8421 0.8421 1.4830 1.4830 1.5306 1.5306 1.9818 1.9818 2.0730 2.0730 3.2057 3.2057 3.2684 3.2684 3.3669 3.3669 3.4122 3.4122 3.6631 3.6631 4.6528 4.6528 6.5237 6.5237 6.6875 6.6875 6.8452 6.8452 7.0333 7.0333 7.0462 7.0462 7.2570 7.2570 9.7454 9.7454 10.5813 10.5813 10.8205 10.8205 k = 0.0000 0.0000 0.0561 ( 5612 PWs) bands (ev): -23.6859 -23.6859 -23.6848 -23.6848 -7.4291 -7.4291 -7.3693 -7.3693 -7.1790 -7.1790 -7.1130 -7.1130 -7.0936 -7.0936 -7.0892 -7.0892 -5.0780 -5.0780 -4.8421 -4.8421 0.8111 0.8111 0.8416 0.8416 1.4838 1.4838 1.5298 1.5298 1.9828 1.9828 2.0709 2.0709 3.2066 3.2066 3.2674 3.2674 3.3678 3.3678 3.4116 3.4116 3.6760 3.6760 4.6334 4.6334 6.5326 6.5326 6.6882 6.6882 6.8480 6.8480 7.0364 7.0364 7.0428 7.0428 7.2533 7.2533 9.7538 9.7538 10.5887 10.5887 10.8298 10.8298 k = 0.0000 0.0000 0.0701 ( 5624 PWs) bands (ev): -23.6859 -23.6859 -23.6848 -23.6848 -7.4277 -7.4277 -7.3702 -7.3702 -7.1781 -7.1781 -7.1149 -7.1149 -7.0935 -7.0935 -7.0893 -7.0893 -5.0731 -5.0731 -4.8467 -4.8467 0.8117 0.8117 0.8410 0.8410 1.4847 1.4847 1.5289 1.5289 1.9840 1.9840 2.0684 2.0684 3.2078 3.2078 3.2662 3.2662 3.3690 3.3690 3.4107 3.4107 3.6925 3.6925 4.6091 4.6091 6.5434 6.5434 6.6891 6.6891 6.8515 6.8515 7.0385 7.0385 7.0405 7.0405 7.2486 7.2486 9.7649 9.7649 10.5982 10.5982 10.8418 10.8418 k = 0.0000 0.0000 0.0841 ( 5630 PWs) bands (ev): -23.6859 -23.6859 -23.6848 -23.6848 -7.4260 -7.4260 -7.3713 -7.3713 -7.1770 -7.1770 -7.1170 -7.1170 -7.0934 -7.0934 -7.0894 -7.0894 -5.0672 -5.0672 -4.8522 -4.8522 0.8124 0.8124 0.8402 0.8402 1.4858 1.4858 1.5278 1.5278 1.9855 1.9855 2.0653 2.0653 3.2092 3.2092 3.2647 3.2647 3.3703 3.3703 3.4097 3.4097 3.7124 3.7124 4.5804 4.5804 6.5556 6.5556 6.6900 6.6900 6.8558 6.8558 7.0333 7.0333 7.0454 7.0454 7.2431 7.2431 9.7793 9.7793 10.6096 10.6096 10.8564 10.8564 k = 0.0000 0.0000 0.0982 ( 5630 PWs) bands (ev): -23.6858 -23.6858 -23.6849 -23.6849 -7.4240 -7.4240 -7.3727 -7.3727 -7.1757 -7.1757 -7.1195 -7.1195 -7.0933 -7.0933 -7.0895 -7.0895 -5.0605 -5.0605 -4.8587 -4.8587 0.8133 0.8133 0.8394 0.8394 1.4871 1.4871 1.5265 1.5265 1.9873 1.9873 2.0619 2.0619 3.2109 3.2109 3.2629 3.2629 3.3718 3.3718 3.4086 3.4086 3.7357 3.7357 4.5478 4.5478 6.5689 6.5689 6.6910 6.6910 6.8607 6.8607 7.0274 7.0274 7.0511 7.0511 7.2366 7.2366 9.7971 9.7971 10.6227 10.6227 10.8735 10.8735 k = 0.0000 0.0000 0.1122 ( 5630 PWs) bands (ev): -23.6858 -23.6858 -23.6849 -23.6849 -7.4218 -7.4218 -7.3742 -7.3742 -7.1742 -7.1742 -7.1222 -7.1222 -7.0932 -7.0932 -7.0897 -7.0897 -5.0528 -5.0528 -4.8660 -4.8660 0.8142 0.8142 0.8384 0.8384 1.4885 1.4885 1.5250 1.5250 1.9893 1.9893 2.0581 2.0581 3.2128 3.2128 3.2609 3.2609 3.3735 3.3735 3.4073 3.4073 3.7622 3.7622 4.5117 4.5117 6.5826 6.5826 6.6919 6.6919 6.8663 6.8663 7.0207 7.0207 7.0576 7.0576 7.2293 7.2293 9.8188 9.8188 10.6371 10.6371 10.8417 10.8417 k = 0.0000 0.0000 0.1262 ( 5630 PWs) bands (ev): -23.6858 -23.6858 -23.6850 -23.6850 -7.4194 -7.4194 -7.3760 -7.3760 -7.1725 -7.1725 -7.1252 -7.1252 -7.0930 -7.0930 -7.0898 -7.0898 -5.0443 -5.0443 -4.8741 -4.8741 0.8153 0.8153 0.8373 0.8373 1.4901 1.4901 1.5234 1.5234 1.9916 1.9916 2.0541 2.0541 3.2149 3.2149 3.2588 3.2588 3.3752 3.3752 3.4058 3.4058 3.7917 3.7917 4.4727 4.4727 6.5965 6.5965 6.6926 6.6926 6.8726 6.8726 7.0133 7.0133 7.0648 7.0648 7.2213 7.2213 9.8446 9.8446 10.6510 10.6510 10.7796 10.7796 k = 0.0000 0.0000 0.1402 ( 5642 PWs) bands (ev): -23.6858 -23.6858 -23.6850 -23.6850 -7.4168 -7.4168 -7.3779 -7.3779 -7.1706 -7.1706 -7.1284 -7.1284 -7.0929 -7.0929 -7.0900 -7.0900 -5.0352 -5.0352 -4.8829 -4.8829 0.8164 0.8164 0.8362 0.8362 1.4919 1.4919 1.5217 1.5217 1.9941 1.9941 2.0498 2.0498 3.2171 3.2171 3.2564 3.2564 3.3770 3.3770 3.4043 3.4043 3.8241 3.8241 4.4313 4.4313 6.6102 6.6102 6.6931 6.6931 6.8795 6.8795 7.0053 7.0053 7.0727 7.0727 7.2126 7.2126 9.8748 9.8748 10.6549 10.6549 10.7265 10.7265 k = 0.0000 0.0000 0.1543 ( 5642 PWs) bands (ev): -23.6857 -23.6857 -23.6850 -23.6850 -7.4140 -7.4140 -7.3800 -7.3800 -7.1685 -7.1685 -7.1317 -7.1317 -7.0927 -7.0927 -7.0902 -7.0902 -5.0254 -5.0254 -4.8924 -4.8924 0.8177 0.8177 0.8349 0.8349 1.4937 1.4937 1.5198 1.5198 1.9969 1.9969 2.0454 2.0454 3.2196 3.2196 3.2539 3.2539 3.3789 3.3789 3.4026 3.4026 3.8591 3.8591 4.3879 4.3879 6.6232 6.6232 6.6932 6.6932 6.8870 6.8870 6.9969 6.9969 7.0812 7.0812 7.2034 7.2034 9.9094 9.9094 10.6157 10.6157 10.7163 10.7163 k = 0.0000 0.0000 0.1683 ( 5636 PWs) bands (ev): -23.6856 -23.6856 -23.6851 -23.6851 -7.4111 -7.4111 -7.3823 -7.3823 -7.1662 -7.1662 -7.1350 -7.1350 -7.0925 -7.0925 -7.0904 -7.0904 -5.0150 -5.0150 -4.9024 -4.9024 0.8190 0.8190 0.8336 0.8336 1.4957 1.4957 1.5178 1.5178 2.0000 2.0000 2.0408 2.0408 3.2222 3.2222 3.2512 3.2512 3.3808 3.3808 3.4008 3.4008 3.8965 3.8965 4.3430 4.3430 6.6354 6.6354 6.6927 6.6927 6.8949 6.8949 6.9880 6.9880 7.0902 7.0902 7.1936 7.1936 9.9487 9.9487 10.5507 10.5507 10.7329 10.7329 k = 0.0000 0.0000 0.1823 ( 5624 PWs) bands (ev): -23.6856 -23.6856 -23.6851 -23.6851 -7.4081 -7.4081 -7.3847 -7.3847 -7.1637 -7.1637 -7.1385 -7.1385 -7.0923 -7.0923 -7.0906 -7.0906 -5.0042 -5.0042 -4.9130 -4.9130 0.8204 0.8204 0.8322 0.8322 1.4978 1.4978 1.5157 1.5157 2.0033 2.0033 2.0363 2.0363 3.2249 3.2249 3.2484 3.2484 3.3828 3.3828 3.3990 3.3990 3.9360 3.9360 4.2971 4.2971 6.6465 6.6465 6.6917 6.6917 6.9033 6.9033 6.9787 6.9787 7.0998 7.0998 7.1835 7.1835 9.9927 9.9927 10.4812 10.4812 10.7555 10.7555 k = 0.0000 0.0000 0.1963 ( 5624 PWs) bands (ev): -23.6855 -23.6855 -23.6852 -23.6852 -7.4051 -7.4051 -7.3874 -7.3874 -7.1611 -7.1611 -7.1419 -7.1419 -7.0921 -7.0921 -7.0908 -7.0908 -4.9930 -4.9930 -4.9239 -4.9239 0.8218 0.8218 0.8308 0.8308 1.5000 1.5000 1.5135 1.5135 2.0068 2.0068 2.0317 2.0317 3.2277 3.2277 3.2455 3.2455 3.3848 3.3848 3.3970 3.3970 3.9775 3.9775 4.2505 4.2505 6.6564 6.6564 6.6899 6.6899 6.9121 6.9121 6.9693 6.9693 7.1097 7.1097 7.1731 7.1731 10.0412 10.0412 10.4113 10.4113 10.7808 10.7808 k = 0.0000 0.0000 0.2104 ( 5618 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.4020 -7.4020 -7.3901 -7.3901 -7.1582 -7.1582 -7.1453 -7.1453 -7.0919 -7.0919 -7.0910 -7.0910 -4.9816 -4.9816 -4.9352 -4.9352 0.8233 0.8233 0.8293 0.8293 1.5022 1.5022 1.5113 1.5113 2.0105 2.0105 2.0272 2.0272 3.2306 3.2306 3.2426 3.2426 3.3869 3.3869 3.3951 3.3951 4.0206 4.0206 4.2036 4.2036 6.6651 6.6651 6.6871 6.6871 6.9213 6.9213 6.9596 6.9596 7.1199 7.1199 7.1625 7.1625 10.0940 10.0940 10.3425 10.3425 10.8079 10.8079 k = 0.0000 0.0000 0.2244 ( 5612 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3989 -7.3989 -7.3930 -7.3930 -7.1552 -7.1552 -7.1487 -7.1487 -7.0916 -7.0916 -7.0912 -7.0912 -4.9700 -4.9700 -4.9467 -4.9467 0.8248 0.8248 0.8278 0.8278 1.5045 1.5045 1.5090 1.5090 2.0145 2.0145 2.0228 2.0228 3.2336 3.2336 3.2396 3.2396 3.3889 3.3889 3.3930 3.3930 4.0650 4.0650 4.1569 4.1569 6.6725 6.6725 6.6834 6.6834 6.9307 6.9307 6.9499 6.9499 7.1304 7.1304 7.1518 7.1518 10.1510 10.1510 10.2758 10.2758 10.8364 10.8364 k = 0.0000 0.0000 0.2384 ( 5606 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0915 -7.0915 -7.0914 -7.0914 -4.9583 -4.9583 -4.9583 -4.9583 0.8263 0.8263 0.8263 0.8263 1.5067 1.5067 1.5067 1.5067 2.0186 2.0186 2.0186 2.0186 3.2366 3.2366 3.2366 3.2366 3.3910 3.3910 3.3910 3.3910 4.1106 4.1106 4.1106 4.1106 6.6785 6.6785 6.6785 6.6785 6.9402 6.9402 6.9402 6.9402 7.1411 7.1411 7.1411 7.1411 10.2118 10.2118 10.2118 10.2118 10.8659 10.8659 k = 0.0000 0.0000 0.2384 ( 5606 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0915 -7.0915 -7.0914 -7.0914 -4.9583 -4.9583 -4.9583 -4.9583 0.8263 0.8263 0.8263 0.8263 1.5067 1.5067 1.5067 1.5067 2.0186 2.0186 2.0186 2.0186 3.2366 3.2366 3.2366 3.2366 3.3910 3.3910 3.3910 3.3910 4.1106 4.1106 4.1106 4.1106 6.6785 6.6785 6.6785 6.6785 6.9402 6.9402 6.9402 6.9402 7.1411 7.1411 7.1411 7.1411 10.2118 10.2118 10.2118 10.2118 10.8659 10.8659 k = 0.0125 0.0072 0.2384 ( 5614 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0915 -7.0915 -7.0915 -7.0915 -4.9577 -4.9577 -4.9577 -4.9577 0.8266 0.8266 0.8266 0.8266 1.5067 1.5067 1.5067 1.5067 2.0184 2.0184 2.0184 2.0184 3.2343 3.2343 3.2343 3.2343 3.3923 3.3923 3.3924 3.3924 4.1128 4.1128 4.1128 4.1128 6.6365 6.6365 6.6366 6.6366 6.9571 6.9571 6.9571 6.9571 7.1604 7.1604 7.1604 7.1604 10.2102 10.2102 10.2102 10.2102 10.8670 10.8670 k = 0.0250 0.0144 0.2384 ( 5616 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0918 -7.0918 -7.0917 -7.0917 -4.9558 -4.9558 -4.9558 -4.9558 0.8274 0.8274 0.8274 0.8274 1.5066 1.5066 1.5066 1.5066 2.0178 2.0178 2.0178 2.0178 3.2277 3.2277 3.2277 3.2277 3.3961 3.3961 3.3961 3.3961 4.1196 4.1196 4.1197 4.1197 6.5430 6.5430 6.5430 6.5430 6.9733 6.9733 6.9733 6.9733 7.2204 7.2204 7.2204 7.2204 10.2055 10.2055 10.2055 10.2055 10.8697 10.8697 k = 0.0375 0.0217 0.2384 ( 5608 PWs) bands (ev): -23.6853 -23.6853 -23.6852 -23.6852 -7.3959 -7.3959 -7.3958 -7.3958 -7.1520 -7.1520 -7.1520 -7.1520 -7.0922 -7.0922 -7.0921 -7.0921 -4.9525 -4.9525 -4.9525 -4.9525 0.8288 0.8288 0.8288 0.8288 1.5065 1.5065 1.5065 1.5065 2.0168 2.0168 2.0168 2.0168 3.2176 3.2176 3.2176 3.2176 3.4017 3.4017 3.4017 3.4017 4.1309 4.1309 4.1309 4.1309 6.4300 6.4300 6.4300 6.4300 6.9681 6.9681 6.9681 6.9681 7.3099 7.3099 7.3099 7.3099 10.1975 10.1975 10.1975 10.1975 10.8725 10.8725 k = 0.0500 0.0289 0.2384 ( 5614 PWs) bands (ev): -23.6853 -23.6853 -23.6852 -23.6852 -7.3959 -7.3959 -7.3958 -7.3958 -7.1520 -7.1520 -7.1520 -7.1520 -7.0928 -7.0928 -7.0927 -7.0927 -4.9480 -4.9480 -4.9480 -4.9480 0.8306 0.8306 0.8306 0.8306 1.5064 1.5064 1.5064 1.5064 2.0154 2.0154 2.0154 2.0154 3.2048 3.2048 3.2048 3.2048 3.4082 3.4082 3.4083 3.4083 4.1464 4.1464 4.1464 4.1464 6.3089 6.3089 6.3090 6.3090 6.9470 6.9470 6.9470 6.9470 7.4123 7.4123 7.4123 7.4123 10.1861 10.1861 10.1861 10.1861 10.8735 10.8735 k = 0.0625 0.0361 0.2384 ( 5626 PWs) bands (ev): -23.6853 -23.6853 -23.6852 -23.6852 -7.3958 -7.3958 -7.3958 -7.3958 -7.1521 -7.1521 -7.1520 -7.1520 -7.0935 -7.0935 -7.0934 -7.0934 -4.9423 -4.9423 -4.9423 -4.9423 0.8330 0.8330 0.8330 0.8330 1.5063 1.5063 1.5063 1.5063 2.0137 2.0137 2.0137 2.0137 3.1902 3.1902 3.1902 3.1902 3.4152 3.4152 3.4152 3.4152 4.1660 4.1660 4.1660 4.1660 6.1839 6.1839 6.1839 6.1839 6.9149 6.9149 6.9149 6.9149 7.5188 7.5188 7.5188 7.5188 10.1711 10.1711 10.1711 10.1711 10.8714 10.8714 k = 0.0750 0.0433 0.2384 ( 5624 PWs) bands (ev): -23.6852 -23.6852 -23.6851 -23.6851 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1520 -7.1520 -7.0944 -7.0944 -7.0943 -7.0943 -4.9354 -4.9354 -4.9354 -4.9354 0.8358 0.8358 0.8358 0.8358 1.5063 1.5063 1.5063 1.5063 2.0116 2.0116 2.0116 2.0116 3.1742 3.1742 3.1742 3.1742 3.4222 3.4222 3.4222 3.4222 4.1893 4.1893 4.1894 4.1894 6.0567 6.0567 6.0567 6.0567 6.8744 6.8744 6.8744 6.8744 7.6254 7.6254 7.6254 7.6254 10.1521 10.1521 10.1522 10.1522 10.8662 10.8662 k = 0.0875 0.0505 0.2384 ( 5632 PWs) bands (ev): -23.6851 -23.6851 -23.6851 -23.6851 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1520 -7.1520 -7.0954 -7.0954 -7.0953 -7.0953 -4.9272 -4.9272 -4.9272 -4.9272 0.8391 0.8391 0.8391 0.8391 1.5065 1.5065 1.5065 1.5065 2.0092 2.0092 2.0092 2.0092 3.1574 3.1574 3.1574 3.1574 3.4288 3.4288 3.4288 3.4288 4.2162 4.2162 4.2162 4.2162 5.9285 5.9285 5.9285 5.9285 6.8269 6.8269 6.8269 6.8269 7.7300 7.7300 7.7300 7.7300 10.1289 10.1289 10.1289 10.1289 10.8594 10.8594 k = 0.1000 0.0577 0.2384 ( 5622 PWs) bands (ev): -23.6851 -23.6851 -23.6850 -23.6850 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1520 -7.1520 -7.0965 -7.0965 -7.0964 -7.0964 -4.9179 -4.9179 -4.9179 -4.9179 0.8427 0.8427 0.8427 0.8427 1.5069 1.5069 1.5069 1.5069 2.0064 2.0064 2.0064 2.0064 3.1401 3.1401 3.1401 3.1401 3.4349 3.4349 3.4349 3.4349 4.2462 4.2462 4.2462 4.2462 5.8002 5.8002 5.8002 5.8002 6.7733 6.7733 6.7733 6.7733 7.8313 7.8313 7.8313 7.8313 10.1011 10.1011 10.1011 10.1011 10.8536 10.8536 k = 0.1125 0.0650 0.2384 ( 5626 PWs) bands (ev): -23.6850 -23.6850 -23.6849 -23.6849 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1520 -7.1520 -7.0977 -7.0977 -7.0976 -7.0976 -4.9075 -4.9075 -4.9075 -4.9075 0.8466 0.8466 0.8466 0.8466 1.5076 1.5076 1.5076 1.5076 2.0034 2.0034 2.0034 2.0034 3.1226 3.1226 3.1226 3.1226 3.4405 3.4405 3.4405 3.4405 4.2790 4.2790 4.2790 4.2790 5.6721 5.6721 5.6721 5.6721 6.7144 6.7144 6.7144 6.7144 7.9284 7.9284 7.9284 7.9284 10.0685 10.0685 10.0685 10.0685 10.8513 10.8513 k = 0.1250 0.0722 0.2384 ( 5632 PWs) bands (ev): -23.6849 -23.6849 -23.6848 -23.6848 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1521 -7.1521 -7.0990 -7.0990 -7.0989 -7.0989 -4.8960 -4.8960 -4.8960 -4.8960 0.8508 0.8508 0.8508 0.8508 1.5087 1.5087 1.5087 1.5087 2.0002 2.0002 2.0002 2.0002 3.1051 3.1051 3.1051 3.1051 3.4454 3.4454 3.4454 3.4454 4.3141 4.3141 4.3141 4.3141 5.5451 5.5451 5.5451 5.5451 6.6510 6.6510 6.6510 6.6510 8.0204 8.0204 8.0204 8.0204 10.0312 10.0312 10.0312 10.0312 10.8547 10.8547 k = 0.1375 0.0794 0.2384 ( 5636 PWs) bands (ev): -23.6848 -23.6848 -23.6847 -23.6847 -7.3958 -7.3958 -7.3958 -7.3958 -7.1522 -7.1522 -7.1521 -7.1521 -7.1003 -7.1003 -7.1003 -7.1003 -4.8835 -4.8835 -4.8835 -4.8835 0.8552 0.8552 0.8552 0.8552 1.5102 1.5102 1.5102 1.5102 1.9968 1.9968 1.9968 1.9968 3.0879 3.0879 3.0879 3.0879 3.4498 3.4498 3.4498 3.4498 4.3511 4.3511 4.3511 4.3511 5.4196 5.4196 5.4196 5.4196 6.5837 6.5837 6.5837 6.5837 8.1067 8.1067 8.1067 8.1067 9.9894 9.9894 9.9894 9.9894 10.8655 10.8655 k = 0.1500 0.0866 0.2384 ( 5640 PWs) bands (ev): -23.6847 -23.6847 -23.6846 -23.6846 -7.3959 -7.3959 -7.3959 -7.3959 -7.1522 -7.1522 -7.1522 -7.1522 -7.1018 -7.1018 -7.1017 -7.1017 -4.8700 -4.8700 -4.8700 -4.8700 0.8598 0.8598 0.8598 0.8598 1.5122 1.5122 1.5122 1.5122 1.9932 1.9932 1.9932 1.9932 3.0709 3.0709 3.0709 3.0709 3.4535 3.4535 3.4535 3.4535 4.3892 4.3892 4.3892 4.3892 5.2964 5.2964 5.2965 5.2965 6.5132 6.5132 6.5132 6.5132 8.1867 8.1867 8.1867 8.1867 9.9434 9.9434 9.9434 9.9434 10.8848 10.8848 k = 0.1625 0.0938 0.2384 ( 5650 PWs) bands (ev): -23.6846 -23.6846 -23.6845 -23.6845 -7.3960 -7.3960 -7.3960 -7.3960 -7.1523 -7.1523 -7.1522 -7.1522 -7.1032 -7.1032 -7.1031 -7.1031 -4.8556 -4.8556 -4.8556 -4.8556 0.8645 0.8645 0.8645 0.8645 1.5147 1.5147 1.5147 1.5147 1.9894 1.9894 1.9894 1.9894 3.0543 3.0543 3.0543 3.0543 3.4567 3.4567 3.4567 3.4567 4.4274 4.4274 4.4274 4.4274 5.1768 5.1768 5.1768 5.1768 6.4400 6.4400 6.4400 6.4400 8.2599 8.2599 8.2599 8.2599 9.8940 9.8940 9.8940 9.8940 10.9133 10.9133 k = 0.1750 0.1010 0.2384 ( 5646 PWs) bands (ev): -23.6845 -23.6845 -23.6844 -23.6844 -7.3962 -7.3962 -7.3961 -7.3961 -7.1524 -7.1524 -7.1523 -7.1523 -7.1047 -7.1047 -7.1046 -7.1046 -4.8404 -4.8404 -4.8404 -4.8404 0.8693 0.8693 0.8693 0.8693 1.5178 1.5178 1.5178 1.5178 1.9856 1.9856 1.9857 1.9857 3.0381 3.0381 3.0381 3.0381 3.4593 3.4593 3.4593 3.4593 4.4640 4.4640 4.4640 4.4640 5.0624 5.0624 5.0624 5.0624 6.3648 6.3648 6.3648 6.3648 8.3260 8.3260 8.3260 8.3260 9.8416 9.8416 9.8416 9.8416 10.9511 10.9511 k = 0.1875 0.1083 0.2384 ( 5652 PWs) bands (ev): -23.6843 -23.6843 -23.6843 -23.6843 -7.3964 -7.3964 -7.3963 -7.3963 -7.1525 -7.1525 -7.1525 -7.1525 -7.1061 -7.1061 -7.1060 -7.1060 -4.8245 -4.8245 -4.8245 -4.8245 0.8742 0.8742 0.8742 0.8742 1.5215 1.5215 1.5215 1.5215 1.9818 1.9818 1.9818 1.9818 3.0225 3.0225 3.0225 3.0225 3.4613 3.4613 3.4613 3.4613 4.4953 4.4953 4.4953 4.4953 4.9570 4.9570 4.9570 4.9570 6.2879 6.2879 6.2879 6.2879 8.3849 8.3849 8.3849 8.3849 9.7870 9.7870 9.7870 9.7870 10.9982 10.9982 k = 0.2000 0.1155 0.2384 ( 5652 PWs) bands (ev): -23.6842 -23.6842 -23.6841 -23.6841 -7.3967 -7.3967 -7.3966 -7.3966 -7.1527 -7.1527 -7.1526 -7.1526 -7.1075 -7.1075 -7.1075 -7.1075 -4.8079 -4.8079 -4.8079 -4.8079 0.8791 0.8791 0.8791 0.8791 1.5257 1.5257 1.5257 1.5257 1.9780 1.9780 1.9780 1.9780 3.0073 3.0073 3.0073 3.0073 3.4627 3.4627 3.4627 3.4627 4.5132 4.5132 4.5132 4.5132 4.8689 4.8689 4.8689 4.8689 6.2099 6.2099 6.2099 6.2099 8.4364 8.4364 8.4364 8.4364 9.7308 9.7308 9.7308 9.7308 11.0542 11.0542 k = 0.2125 0.1227 0.2384 ( 5656 PWs) bands (ev): -23.6841 -23.6841 -23.6840 -23.6840 -7.3970 -7.3970 -7.3969 -7.3969 -7.1529 -7.1529 -7.1529 -7.1529 -7.1089 -7.1089 -7.1088 -7.1088 -4.7907 -4.7907 -4.7907 -4.7907 0.8841 0.8841 0.8841 0.8841 1.5305 1.5305 1.5305 1.5305 1.9743 1.9743 1.9743 1.9743 2.9928 2.9928 2.9928 2.9928 3.4634 3.4634 3.4635 3.4635 4.5022 4.5022 4.5022 4.5022 4.8136 4.8136 4.8137 4.8137 6.1312 6.1312 6.1312 6.1312 8.4808 8.4808 8.4808 8.4808 9.6735 9.6735 9.6735 9.6735 11.1185 11.1185 k = 0.2250 0.1299 0.2384 ( 5656 PWs) bands (ev): -23.6840 -23.6840 -23.6839 -23.6839 -7.3973 -7.3973 -7.3972 -7.3972 -7.1532 -7.1532 -7.1531 -7.1531 -7.1102 -7.1102 -7.1101 -7.1101 -4.7731 -4.7731 -4.7731 -4.7731 0.8892 0.8892 0.8892 0.8892 1.5356 1.5356 1.5356 1.5356 1.9707 1.9707 1.9707 1.9707 2.9788 2.9788 2.9788 2.9788 3.4635 3.4635 3.4635 3.4635 4.4520 4.4520 4.4520 4.4520 4.8019 4.8019 4.8019 4.8019 6.0522 6.0522 6.0522 6.0522 8.5183 8.5183 8.5183 8.5183 9.6156 9.6156 9.6156 9.6156 11.1902 11.1902 k = 0.2375 0.1371 0.2384 ( 5656 PWs) bands (ev): -23.6838 -23.6838 -23.6838 -23.6838 -7.3977 -7.3977 -7.3976 -7.3976 -7.1535 -7.1535 -7.1534 -7.1534 -7.1114 -7.1114 -7.1113 -7.1113 -4.7550 -4.7550 -4.7550 -4.7550 0.8944 0.8944 0.8944 0.8944 1.5411 1.5411 1.5411 1.5411 1.9674 1.9674 1.9674 1.9674 2.9654 2.9654 2.9654 2.9654 3.4629 3.4629 3.4629 3.4629 4.3743 4.3743 4.3743 4.3743 4.8219 4.8219 4.8219 4.8219 5.9733 5.9733 5.9733 5.9733 8.5493 8.5493 8.5493 8.5493 9.5574 9.5574 9.5574 9.5574 11.2683 11.2684 k = 0.2500 0.1443 0.2384 ( 5666 PWs) bands (ev): -23.6837 -23.6837 -23.6836 -23.6836 -7.3982 -7.3982 -7.3981 -7.3981 -7.1539 -7.1539 -7.1538 -7.1538 -7.1125 -7.1125 -7.1125 -7.1125 -4.7367 -4.7367 -4.7367 -4.7367 0.8997 0.8997 0.8997 0.8997 1.5469 1.5469 1.5469 1.5469 1.9642 1.9642 1.9643 1.9643 2.9525 2.9525 2.9525 2.9525 3.4613 3.4613 3.4613 3.4613 4.2857 4.2857 4.2857 4.2857 4.8574 4.8574 4.8574 4.8574 5.8950 5.8950 5.8950 5.8950 8.5744 8.5744 8.5744 8.5744 9.4994 9.4994 9.4994 9.4994 11.3518 11.3518 k = 0.2625 0.1516 0.2384 ( 5658 PWs) bands (ev): -23.6836 -23.6836 -23.6835 -23.6835 -7.3987 -7.3987 -7.3986 -7.3986 -7.1543 -7.1543 -7.1542 -7.1542 -7.1135 -7.1135 -7.1135 -7.1135 -4.7182 -4.7182 -4.7182 -4.7182 0.9052 0.9052 0.9052 0.9052 1.5526 1.5526 1.5526 1.5526 1.9614 1.9614 1.9614 1.9614 2.9402 2.9402 2.9402 2.9402 3.4586 3.4586 3.4586 3.4586 4.1948 4.1948 4.1948 4.1948 4.9001 4.9001 4.9001 4.9001 5.8176 5.8176 5.8176 5.8176 8.5939 8.5939 8.5939 8.5939 9.4418 9.4418 9.4418 9.4418 11.4393 11.4393 k = 0.2750 0.1588 0.2384 ( 5658 PWs) bands (ev): -23.6834 -23.6834 -23.6833 -23.6833 -7.3992 -7.3992 -7.3991 -7.3991 -7.1548 -7.1548 -7.1547 -7.1547 -7.1144 -7.1144 -7.1144 -7.1144 -4.6996 -4.6996 -4.6996 -4.6996 0.9108 0.9108 0.9108 0.9108 1.5582 1.5582 1.5582 1.5582 1.9590 1.9590 1.9590 1.9590 2.9285 2.9285 2.9285 2.9285 3.4546 3.4546 3.4546 3.4546 4.1056 4.1056 4.1056 4.1056 4.9462 4.9462 4.9462 4.9462 5.7414 5.7414 5.7414 5.7414 8.6086 8.6086 8.6086 8.6086 9.3849 9.3849 9.3849 9.3849 11.5295 11.5295 k = 0.2875 0.1660 0.2384 ( 5654 PWs) bands (ev): -23.6833 -23.6833 -23.6832 -23.6832 -7.3997 -7.3997 -7.3997 -7.3997 -7.1553 -7.1553 -7.1553 -7.1553 -7.1152 -7.1152 -7.1152 -7.1152 -4.6810 -4.6810 -4.6810 -4.6810 0.9168 0.9168 0.9168 0.9168 1.5635 1.5635 1.5635 1.5635 1.9569 1.9569 1.9569 1.9569 2.9172 2.9172 2.9172 2.9172 3.4488 3.4488 3.4488 3.4488 4.0205 4.0205 4.0205 4.0205 4.9938 4.9938 4.9938 4.9938 5.6670 5.6670 5.6670 5.6670 8.6191 8.6191 8.6191 8.6191 9.3290 9.3290 9.3290 9.3290 11.6208 11.6208 k = 0.3000 0.1732 0.2384 ( 5652 PWs) bands (ev): -23.6831 -23.6831 -23.6831 -23.6831 -7.4003 -7.4003 -7.4003 -7.4003 -7.1559 -7.1559 -7.1559 -7.1559 -7.1159 -7.1159 -7.1158 -7.1158 -4.6626 -4.6626 -4.6626 -4.6626 0.9231 0.9231 0.9231 0.9231 1.5682 1.5682 1.5682 1.5682 1.9552 1.9552 1.9552 1.9552 2.9065 2.9065 2.9065 2.9065 3.4407 3.4407 3.4407 3.4407 3.9410 3.9410 3.9410 3.9410 5.0418 5.0418 5.0418 5.0418 5.5947 5.5947 5.5947 5.5947 8.6257 8.6257 8.6257 8.6257 9.2744 9.2744 9.2744 9.2744 11.7117 11.7117 k = 0.3125 0.1804 0.2384 ( 5656 PWs) bands (ev): -23.6830 -23.6830 -23.6829 -23.6829 -7.4010 -7.4010 -7.4009 -7.4009 -7.1565 -7.1565 -7.1565 -7.1565 -7.1164 -7.1164 -7.1164 -7.1164 -4.6445 -4.6445 -4.6445 -4.6445 0.9297 0.9297 0.9297 0.9297 1.5722 1.5722 1.5722 1.5722 1.9540 1.9540 1.9540 1.9540 2.8963 2.8963 2.8963 2.8963 3.4297 3.4297 3.4297 3.4297 3.8687 3.8687 3.8687 3.8687 5.0892 5.0892 5.0892 5.0892 5.5253 5.5253 5.5253 5.5253 8.6292 8.6292 8.6292 8.6292 9.2211 9.2211 9.2211 9.2211 11.8010 11.8010 k = 0.3250 0.1876 0.2384 ( 5656 PWs) bands (ev): -23.6829 -23.6829 -23.6828 -23.6828 -7.4016 -7.4016 -7.4015 -7.4015 -7.1572 -7.1572 -7.1571 -7.1571 -7.1169 -7.1169 -7.1168 -7.1168 -4.6269 -4.6269 -4.6269 -4.6269 0.9367 0.9367 0.9367 0.9367 1.5753 1.5753 1.5753 1.5753 1.9532 1.9532 1.9532 1.9532 2.8865 2.8865 2.8865 2.8865 3.4149 3.4149 3.4149 3.4149 3.8048 3.8048 3.8048 3.8048 5.1346 5.1346 5.1346 5.1346 5.4596 5.4596 5.4596 5.4596 8.6300 8.6300 8.6300 8.6300 9.1697 9.1697 9.1697 9.1697 11.8872 11.8872 k = 0.3375 0.1949 0.2384 ( 5664 PWs) bands (ev): -23.6828 -23.6828 -23.6827 -23.6827 -7.4023 -7.4023 -7.4022 -7.4022 -7.1579 -7.1579 -7.1578 -7.1578 -7.1172 -7.1172 -7.1172 -7.1172 -4.6097 -4.6097 -4.6097 -4.6097 0.9442 0.9442 0.9442 0.9442 1.5774 1.5774 1.5774 1.5774 1.9527 1.9527 1.9527 1.9527 2.8773 2.8773 2.8773 2.8773 3.3956 3.3956 3.3956 3.3956 3.7505 3.7505 3.7505 3.7505 5.1759 5.1759 5.1759 5.1759 5.4000 5.4000 5.4000 5.4000 8.6284 8.6284 8.6284 8.6284 9.1202 9.1202 9.1202 9.1202 11.9696 11.9696 k = 0.3500 0.2021 0.2384 ( 5664 PWs) bands (ev): -23.6827 -23.6827 -23.6826 -23.6826 -7.4029 -7.4029 -7.4028 -7.4028 -7.1586 -7.1586 -7.1585 -7.1585 -7.1175 -7.1175 -7.1174 -7.1174 -4.5932 -4.5932 -4.5932 -4.5932 0.9520 0.9520 0.9520 0.9520 1.5782 1.5782 1.5782 1.5782 1.9525 1.9525 1.9525 1.9525 2.8684 2.8684 2.8684 2.8684 3.3717 3.3717 3.3717 3.3717 3.7064 3.7064 3.7064 3.7064 5.2062 5.2062 5.2062 5.2062 5.3531 5.3531 5.3531 5.3531 8.6250 8.6250 8.6251 8.6251 9.0730 9.0730 9.0730 9.0730 12.0474 12.0474 k = 0.3625 0.2093 0.2384 ( 5672 PWs) bands (ev): -23.6826 -23.6826 -23.6825 -23.6825 -7.4035 -7.4035 -7.4035 -7.4035 -7.1593 -7.1593 -7.1592 -7.1592 -7.1177 -7.1177 -7.1176 -7.1176 -4.5775 -4.5775 -4.5775 -4.5775 0.9602 0.9602 0.9602 0.9602 1.5778 1.5778 1.5778 1.5778 1.9526 1.9526 1.9526 1.9526 2.8601 2.8601 2.8601 2.8601 3.3437 3.3437 3.3437 3.3437 3.6721 3.6721 3.6721 3.6721 5.2074 5.2074 5.2074 5.2074 5.3368 5.3368 5.3368 5.3368 8.6201 8.6201 8.6202 8.6202 9.0284 9.0284 9.0284 9.0284 12.1206 12.1206 k = 0.3750 0.2165 0.2384 ( 5662 PWs) bands (ev): -23.6825 -23.6825 -23.6824 -23.6824 -7.4041 -7.4041 -7.4041 -7.4041 -7.1600 -7.1600 -7.1599 -7.1599 -7.1178 -7.1178 -7.1177 -7.1177 -4.5627 -4.5627 -4.5627 -4.5627 0.9687 0.9687 0.9687 0.9687 1.5762 1.5762 1.5762 1.5762 1.9528 1.9528 1.9528 1.9528 2.8523 2.8523 2.8523 2.8523 3.3130 3.3130 3.3130 3.3130 3.6464 3.6464 3.6464 3.6464 5.1755 5.1755 5.1755 5.1755 5.3553 5.3553 5.3553 5.3553 8.6140 8.6140 8.6141 8.6141 8.9868 8.9868 8.9868 8.9868 12.1892 12.1892 k = 0.3875 0.2237 0.2384 ( 5660 PWs) bands (ev): -23.6824 -23.6824 -23.6823 -23.6823 -7.4047 -7.4047 -7.4047 -7.4047 -7.1606 -7.1606 -7.1605 -7.1605 -7.1178 -7.1178 -7.1178 -7.1178 -4.5489 -4.5489 -4.5489 -4.5489 0.9775 0.9775 0.9775 0.9775 1.5735 1.5735 1.5735 1.5735 1.9530 1.9530 1.9530 1.9530 2.8450 2.8450 2.8450 2.8450 3.2816 3.2816 3.2816 3.2816 3.6276 3.6276 3.6276 3.6276 5.1324 5.1324 5.1324 5.1324 5.3864 5.3864 5.3864 5.3864 8.6070 8.6070 8.6071 8.6071 8.9483 8.9483 8.9483 8.9483 12.2535 12.2535 k = 0.4000 0.2309 0.2384 ( 5648 PWs) bands (ev): -23.6823 -23.6823 -23.6822 -23.6822 -7.4053 -7.4053 -7.4052 -7.4052 -7.1612 -7.1612 -7.1611 -7.1611 -7.1179 -7.1179 -7.1178 -7.1178 -4.5362 -4.5362 -4.5362 -4.5362 0.9863 0.9863 0.9863 0.9863 1.5697 1.5697 1.5697 1.5697 1.9532 1.9532 1.9532 1.9532 2.8382 2.8382 2.8382 2.8382 3.2510 3.2510 3.2510 3.2510 3.6138 3.6138 3.6138 3.6138 5.0889 5.0889 5.0889 5.0889 5.4195 5.4195 5.4195 5.4195 8.5994 8.5994 8.5994 8.5994 8.9134 8.9134 8.9135 8.9135 12.3140 12.3140 k = 0.4125 0.2382 0.2384 ( 5648 PWs) bands (ev): -23.6822 -23.6822 -23.6821 -23.6821 -7.4058 -7.4058 -7.4057 -7.4057 -7.1618 -7.1618 -7.1617 -7.1617 -7.1179 -7.1179 -7.1178 -7.1178 -4.5247 -4.5247 -4.5247 -4.5247 0.9950 0.9950 0.9950 0.9950 1.5652 1.5652 1.5652 1.5652 1.9534 1.9534 1.9534 1.9534 2.8321 2.8321 2.8321 2.8321 3.2228 3.2228 3.2228 3.2228 3.6039 3.6039 3.6039 3.6039 5.0483 5.0483 5.0483 5.0483 5.4511 5.4511 5.4511 5.4511 8.5915 8.5915 8.5915 8.5915 8.8824 8.8824 8.8824 8.8824 12.3707 12.3707 k = 0.4250 0.2454 0.2384 ( 5640 PWs) bands (ev): -23.6821 -23.6821 -23.6820 -23.6820 -7.4062 -7.4062 -7.4062 -7.4062 -7.1623 -7.1623 -7.1622 -7.1622 -7.1178 -7.1178 -7.1178 -7.1178 -4.5146 -4.5146 -4.5146 -4.5146 1.0034 1.0034 1.0034 1.0034 1.5601 1.5601 1.5601 1.5601 1.9534 1.9534 1.9534 1.9534 2.8267 2.8267 2.8267 2.8267 3.1977 3.1977 3.1977 3.1977 3.5966 3.5966 3.5966 3.5966 5.0117 5.0117 5.0117 5.0117 5.4800 5.4800 5.4800 5.4800 8.5835 8.5835 8.5835 8.5835 8.8553 8.8553 8.8553 8.8553 12.4238 12.4238 k = 0.4375 0.2526 0.2384 ( 5644 PWs) bands (ev): -23.6820 -23.6820 -23.6820 -23.6820 -7.4066 -7.4066 -7.4066 -7.4066 -7.1627 -7.1627 -7.1626 -7.1626 -7.1178 -7.1178 -7.1177 -7.1177 -4.5058 -4.5058 -4.5058 -4.5058 1.0112 1.0112 1.0112 1.0112 1.5549 1.5549 1.5549 1.5549 1.9534 1.9534 1.9534 1.9534 2.8220 2.8220 2.8220 2.8220 3.1762 3.1762 3.1762 3.1762 3.5912 3.5912 3.5912 3.5912 4.9799 4.9799 4.9799 4.9799 5.5054 5.5054 5.5054 5.5054 8.5758 8.5758 8.5758 8.5758 8.8325 8.8325 8.8325 8.8325 12.4728 12.4728 k = 0.4500 0.2598 0.2384 ( 5648 PWs) bands (ev): -23.6820 -23.6820 -23.6819 -23.6819 -7.4070 -7.4070 -7.4069 -7.4069 -7.1631 -7.1631 -7.1630 -7.1630 -7.1178 -7.1178 -7.1177 -7.1177 -4.4986 -4.4986 -4.4986 -4.4986 1.0182 1.0182 1.0182 1.0182 1.5498 1.5498 1.5498 1.5498 1.9533 1.9533 1.9533 1.9533 2.8181 2.8181 2.8181 2.8181 3.1586 3.1586 3.1586 3.1586 3.5874 3.5874 3.5874 3.5874 4.9533 4.9533 4.9533 4.9533 5.5269 5.5269 5.5269 5.5269 8.5688 8.5688 8.5688 8.5688 8.8138 8.8138 8.8139 8.8139 12.5169 12.5169 k = 0.4625 0.2670 0.2384 ( 5644 PWs) bands (ev): -23.6820 -23.6820 -23.6819 -23.6819 -7.4072 -7.4072 -7.4072 -7.4072 -7.1634 -7.1634 -7.1633 -7.1633 -7.1177 -7.1177 -7.1177 -7.1177 -4.4929 -4.4929 -4.4929 -4.4929 1.0240 1.0240 1.0240 1.0240 1.5454 1.5454 1.5454 1.5454 1.9531 1.9531 1.9531 1.9531 2.8151 2.8151 2.8151 2.8151 3.1450 3.1450 3.1450 3.1450 3.5846 3.5846 3.5846 3.5846 4.9323 4.9323 4.9323 4.9323 5.5439 5.5439 5.5439 5.5439 8.5629 8.5629 8.5629 8.5629 8.7995 8.7995 8.7995 8.7995 12.5547 12.5547 k = 0.4750 0.2742 0.2384 ( 5648 PWs) bands (ev): -23.6819 -23.6819 -23.6819 -23.6819 -7.4074 -7.4074 -7.4073 -7.4073 -7.1636 -7.1636 -7.1635 -7.1635 -7.1177 -7.1177 -7.1176 -7.1176 -4.4888 -4.4888 -4.4888 -4.4888 1.0284 1.0284 1.0284 1.0284 1.5419 1.5419 1.5419 1.5419 1.9530 1.9530 1.9530 1.9530 2.8129 2.8129 2.8129 2.8129 3.1353 3.1353 3.1353 3.1353 3.5828 3.5828 3.5828 3.5828 4.9171 4.9171 4.9171 4.9171 5.5563 5.5563 5.5563 5.5563 8.5583 8.5583 8.5583 8.5583 8.7893 8.7893 8.7893 8.7893 12.5844 12.5844 k = 0.4875 0.2815 0.2384 ( 5650 PWs) bands (ev): -23.6819 -23.6819 -23.6819 -23.6819 -7.4075 -7.4075 -7.4075 -7.4075 -7.1637 -7.1637 -7.1636 -7.1636 -7.1177 -7.1177 -7.1176 -7.1176 -4.4863 -4.4863 -4.4863 -4.4863 1.0311 1.0311 1.0311 1.0311 1.5397 1.5397 1.5397 1.5397 1.9528 1.9528 1.9528 1.9528 2.8115 2.8115 2.8115 2.8115 3.1295 3.1295 3.1295 3.1295 3.5818 3.5818 3.5818 3.5818 4.9080 4.9080 4.9080 4.9080 5.5638 5.5638 5.5638 5.5638 8.5554 8.5554 8.5554 8.5554 8.7832 8.7832 8.7832 8.7832 12.6035 12.6035 k = 0.5000 0.2887 0.2384 ( 5660 PWs) bands (ev): -23.6819 -23.6819 -23.6819 -23.6819 -7.4076 -7.4076 -7.4075 -7.4075 -7.1637 -7.1637 -7.1637 -7.1637 -7.1177 -7.1177 -7.1176 -7.1176 -4.4855 -4.4855 -4.4855 -4.4855 1.0320 1.0320 1.0320 1.0320 1.5389 1.5389 1.5389 1.5389 1.9528 1.9528 1.9528 1.9528 2.8111 2.8111 2.8111 2.8111 3.1276 3.1276 3.1276 3.1276 3.5814 3.5814 3.5814 3.5814 4.9049 4.9049 4.9049 4.9049 5.5663 5.5663 5.5663 5.5663 8.5544 8.5544 8.5545 8.5545 8.7812 8.7812 8.7812 8.7812 12.6101 12.6101 k = 0.5000 0.2887 0.2384 ( 5660 PWs) bands (ev): -23.6819 -23.6819 -23.6819 -23.6819 -7.4076 -7.4076 -7.4075 -7.4075 -7.1637 -7.1637 -7.1637 -7.1637 -7.1177 -7.1177 -7.1176 -7.1176 -4.4855 -4.4855 -4.4855 -4.4855 1.0320 1.0320 1.0320 1.0320 1.5389 1.5389 1.5389 1.5389 1.9528 1.9528 1.9528 1.9528 2.8111 2.8111 2.8111 2.8111 3.1276 3.1276 3.1276 3.1276 3.5814 3.5814 3.5814 3.5814 4.9049 4.9049 4.9049 4.9049 5.5663 5.5663 5.5663 5.5663 8.5544 8.5544 8.5545 8.5545 8.7812 8.7812 8.7812 8.7812 12.6101 12.6101 k = 0.4928 0.3012 0.2384 ( 5652 PWs) bands (ev): -23.6819 -23.6819 -23.6819 -23.6819 -7.4078 -7.4078 -7.4073 -7.4073 -7.1639 -7.1639 -7.1634 -7.1634 -7.1178 -7.1178 -7.1177 -7.1177 -4.4860 -4.4860 -4.4844 -4.4844 1.0247 1.0247 1.0389 1.0389 1.5238 1.5238 1.5563 1.5563 1.9430 1.9430 1.9631 1.9631 2.8026 2.8026 2.8184 2.8184 3.1247 3.1247 3.1314 3.1314 3.5780 3.5780 3.5844 3.5844 4.8851 4.8851 4.9117 4.9117 5.5599 5.5599 5.5746 5.5746 8.5503 8.5503 8.5673 8.5673 8.7818 8.7818 8.7899 8.7899 12.6065 12.6067 k = 0.4855 0.3138 0.2384 ( 5652 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4080 -7.4080 -7.4071 -7.4071 -7.1641 -7.1641 -7.1630 -7.1630 -7.1180 -7.1180 -7.1179 -7.1179 -4.4859 -4.4859 -4.4828 -4.4828 1.0170 1.0170 1.0452 1.0452 1.5109 1.5109 1.5759 1.5759 1.9337 1.9337 1.9739 1.9739 2.7931 2.7931 2.8244 2.8244 3.1228 3.1228 3.1363 3.1363 3.5741 3.5741 3.5870 3.5870 4.8528 4.8528 4.9055 4.9055 5.5554 5.5554 5.5845 5.5845 8.5546 8.5546 8.5867 8.5867 8.7932 8.7932 8.8083 8.8083 12.5999 12.6000 k = 0.4783 0.3263 0.2384 ( 5656 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4081 -7.4081 -7.4068 -7.4068 -7.1643 -7.1643 -7.1626 -7.1626 -7.1184 -7.1184 -7.1182 -7.1182 -4.4854 -4.4854 -4.4807 -4.4807 1.0090 1.0090 1.0509 1.0509 1.5003 1.5003 1.5977 1.5977 1.9249 1.9249 1.9852 1.9852 2.7825 2.7825 2.8290 2.8290 3.1220 3.1220 3.1421 3.1421 3.5697 3.5697 3.5891 3.5891 4.8090 4.8090 4.8868 4.8868 5.5529 5.5529 5.5960 5.5960 8.5651 8.5651 8.6085 8.6085 8.8184 8.8184 8.8382 8.8382 12.5904 12.5904 k = 0.4710 0.3389 0.2384 ( 5658 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4083 -7.4083 -7.4065 -7.4065 -7.1643 -7.1643 -7.1621 -7.1621 -7.1189 -7.1189 -7.1186 -7.1186 -4.4843 -4.4843 -4.4781 -4.4781 1.0009 1.0009 1.0559 1.0559 1.4917 1.4917 1.6215 1.6215 1.9166 1.9166 1.9970 1.9970 2.7712 2.7712 2.8323 2.8323 3.1223 3.1223 3.1488 3.1488 3.5648 3.5648 3.5909 3.5909 4.7548 4.7548 4.8564 4.8564 5.5524 5.5524 5.6088 5.6088 8.5787 8.5787 8.6278 8.6278 8.8609 8.8609 8.8819 8.8819 12.5777 12.5778 k = 0.4638 0.3514 0.2384 ( 5670 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4084 -7.4084 -7.4062 -7.4062 -7.1643 -7.1643 -7.1616 -7.1616 -7.1195 -7.1195 -7.1192 -7.1192 -4.4828 -4.4828 -4.4751 -4.4751 0.9928 0.9928 1.0603 1.0603 1.4851 1.4851 1.6473 1.6473 1.9089 1.9089 2.0092 2.0092 2.7592 2.7592 2.8341 2.8341 3.1236 3.1236 3.1564 3.1564 3.5595 3.5595 3.5924 3.5924 4.6917 4.6917 4.8155 4.8155 5.5537 5.5537 5.6228 5.6228 8.5926 8.5926 8.6424 8.6424 8.9214 8.9214 8.9410 8.9410 12.5617 12.5618 k = 0.4565 0.3640 0.2384 ( 5666 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4086 -7.4086 -7.4060 -7.4060 -7.1643 -7.1643 -7.1610 -7.1610 -7.1202 -7.1202 -7.1199 -7.1199 -4.4807 -4.4807 -4.4716 -4.4716 0.9848 0.9848 1.0641 1.0641 1.4803 1.4803 1.6749 1.6749 1.9016 1.9016 2.0217 2.0217 2.7467 2.7467 2.8347 2.8347 3.1262 3.1262 3.1648 3.1648 3.5536 3.5536 3.5935 3.5935 4.6214 4.6214 4.7655 4.7655 5.5567 5.5567 5.6377 5.6377 8.6050 8.6050 8.6524 8.6524 8.9977 8.9977 9.0159 9.0159 12.5417 12.5417 k = 0.4493 0.3765 0.2384 ( 5672 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4087 -7.4087 -7.4057 -7.4057 -7.1642 -7.1642 -7.1604 -7.1604 -7.1210 -7.1210 -7.1207 -7.1207 -4.4783 -4.4783 -4.4677 -4.4677 0.9770 0.9770 1.0674 1.0674 1.4771 1.4771 1.7041 1.7041 1.8949 1.8949 2.0347 2.0347 2.7339 2.7339 2.8338 2.8338 3.1299 3.1299 3.1739 3.1739 3.5473 3.5473 3.5944 3.5944 4.5452 4.5452 4.7076 4.7076 5.5612 5.5612 5.6535 5.6535 8.6152 8.6152 8.6592 8.6592 9.0865 9.0865 9.1054 9.1054 12.5162 12.5162 k = 0.4420 0.3891 0.2384 ( 5664 PWs) bands (ev): -23.6818 -23.6818 -23.6818 -23.6818 -7.4088 -7.4088 -7.4054 -7.4054 -7.1641 -7.1641 -7.1596 -7.1596 -7.1218 -7.1218 -7.1216 -7.1216 -4.4755 -4.4755 -4.4635 -4.4635 0.9694 0.9694 1.0703 1.0703 1.4751 1.4751 1.7348 1.7348 1.8888 1.8888 2.0478 2.0478 2.7209 2.7209 2.8318 2.8318 3.1350 3.1350 3.1837 3.1837 3.5405 3.5405 3.5950 3.5950 4.4647 4.4647 4.6434 4.6434 5.5672 5.5672 5.6701 5.6701 8.6233 8.6233 8.6639 8.6639 9.1848 9.1848 9.2077 9.2077 12.4829 12.4829 k = 0.4348 0.4016 0.2384 ( 5664 PWs) bands (ev): -23.6818 -23.6818 -23.6817 -23.6817 -7.4089 -7.4089 -7.4051 -7.4051 -7.1639 -7.1639 -7.1589 -7.1589 -7.1227 -7.1227 -7.1226 -7.1226 -4.4723 -4.4723 -4.4590 -4.4590 0.9622 0.9622 1.0729 1.0729 1.4741 1.4741 1.7667 1.7667 1.8833 1.8833 2.0612 2.0612 2.7079 2.7079 2.8284 2.8284 3.1414 3.1414 3.1941 3.1941 3.5333 3.5333 3.5955 3.5955 4.3814 4.3814 4.5742 4.5742 5.5744 5.5744 5.6872 5.6872 8.6296 8.6296 8.6673 8.6673 9.2900 9.2900 9.3207 9.3207 12.4400 12.4400 k = 0.4275 0.4142 0.2384 ( 5660 PWs) bands (ev): -23.6818 -23.6818 -23.6817 -23.6817 -7.4089 -7.4089 -7.4048 -7.4048 -7.1638 -7.1638 -7.1581 -7.1581 -7.1238 -7.1238 -7.1237 -7.1237 -4.4688 -4.4688 -4.4542 -4.4542 0.9555 0.9555 1.0754 1.0754 1.4738 1.4738 1.7994 1.7994 1.8787 1.8787 2.0746 2.0746 2.6950 2.6950 2.8240 2.8240 3.1495 3.1495 3.2050 3.2050 3.5257 3.5257 3.5958 3.5958 4.2964 4.2964 4.5014 4.5014 5.5827 5.5827 5.7047 5.7047 8.6343 8.6343 8.6696 8.6696 9.3996 9.3996 9.4420 9.4420 12.3891 12.3891 k = 0.4203 0.4267 0.2384 ( 5660 PWs) bands (ev): -23.6817 -23.6817 -23.6817 -23.6817 -7.4090 -7.4090 -7.4045 -7.4045 -7.1636 -7.1636 -7.1573 -7.1573 -7.1249 -7.1249 -7.1247 -7.1247 -4.4651 -4.4651 -4.4494 -4.4494 0.9492 0.9492 1.0778 1.0778 1.4740 1.4740 1.8315 1.8315 1.8760 1.8760 2.0879 2.0879 2.6825 2.6825 2.8184 2.8184 3.1592 3.1592 3.2164 3.2164 3.5178 3.5178 3.5960 3.5960 4.2111 4.2111 4.4260 4.4260 5.5919 5.5919 5.7225 5.7225 8.6377 8.6377 8.6712 8.6712 9.5114 9.5114 9.5696 9.5696 12.3342 12.3342 k = 0.4130 0.4393 0.2384 ( 5660 PWs) bands (ev): -23.6817 -23.6817 -23.6817 -23.6817 -7.4091 -7.4091 -7.4043 -7.4043 -7.1634 -7.1634 -7.1565 -7.1565 -7.1261 -7.1261 -7.1256 -7.1256 -4.4613 -4.4613 -4.4444 -4.4444 0.9435 0.9435 1.0802 1.0802 1.4743 1.4743 1.8551 1.8551 1.8829 1.8829 2.1010 2.1010 2.6705 2.6705 2.8119 2.8119 3.1708 3.1708 3.2283 3.2283 3.5096 3.5096 3.5961 3.5961 4.1266 4.1266 4.3493 4.3493 5.6018 5.6018 5.7403 5.7403 8.6400 8.6400 8.6721 8.6721 9.6233 9.6233 9.7013 9.7013 12.2791 12.2791 k = 0.4058 0.4518 0.2384 ( 5670 PWs) bands (ev): -23.6817 -23.6817 -23.6816 -23.6816 -7.4091 -7.4091 -7.4040 -7.4040 -7.1631 -7.1631 -7.1556 -7.1556 -7.1273 -7.1273 -7.1266 -7.1266 -4.4574 -4.4574 -4.4394 -4.4394 0.9383 0.9383 1.0828 1.0828 1.4746 1.4746 1.8588 1.8588 1.9106 1.9106 2.1137 2.1137 2.6591 2.6591 2.8044 2.8044 3.1843 3.1843 3.2406 3.2406 3.5012 3.5012 3.5961 3.5961 4.0438 4.0438 4.2722 4.2722 5.6121 5.6121 5.7579 5.7579 8.6413 8.6413 8.6724 8.6724 9.7331 9.7331 9.8348 9.8348 12.2261 12.2261 k = 0.3986 0.4644 0.2384 ( 5676 PWs) bands (ev): -23.6817 -23.6817 -23.6816 -23.6816 -7.4092 -7.4092 -7.4038 -7.4038 -7.1629 -7.1629 -7.1548 -7.1548 -7.1285 -7.1285 -7.1276 -7.1276 -4.4534 -4.4534 -4.4345 -4.4345 0.9338 0.9338 1.0856 1.0856 1.4747 1.4747 1.8569 1.8569 1.9441 1.9441 2.1257 2.1257 2.6486 2.6486 2.7961 2.7961 3.1999 3.1999 3.2533 3.2533 3.4927 3.4927 3.5962 3.5962 3.9638 3.9638 4.1957 4.1957 5.6226 5.6226 5.7750 5.7750 8.6416 8.6416 8.6721 8.6721 9.8386 9.8386 9.9676 9.9676 12.1772 12.1772 k = 0.3913 0.4769 0.2384 ( 5666 PWs) bands (ev): -23.6816 -23.6816 -23.6816 -23.6816 -7.4092 -7.4092 -7.4036 -7.4036 -7.1627 -7.1627 -7.1539 -7.1539 -7.1297 -7.1297 -7.1284 -7.1284 -4.4496 -4.4496 -4.4297 -4.4297 0.9298 0.9298 1.0886 1.0886 1.4745 1.4745 1.8545 1.8545 1.9782 1.9782 2.1369 2.1369 2.6390 2.6390 2.7870 2.7870 3.2176 3.2176 3.2665 3.2665 3.4840 3.4840 3.5962 3.5962 3.8876 3.8876 4.1206 4.1206 5.6332 5.6332 5.7916 5.7916 8.6412 8.6412 8.6712 8.6712 9.9378 9.9378 10.0972 10.0972 12.1341 12.1341 k = 0.3841 0.4895 0.2384 ( 5666 PWs) bands (ev): -23.6816 -23.6816 -23.6815 -23.6815 -7.4093 -7.4093 -7.4035 -7.4035 -7.1626 -7.1626 -7.1531 -7.1531 -7.1309 -7.1309 -7.1292 -7.1292 -4.4458 -4.4458 -4.4252 -4.4252 0.9264 0.9264 1.0918 1.0918 1.4739 1.4739 1.8521 1.8521 2.0115 2.0115 2.1472 2.1472 2.6304 2.6304 2.7774 2.7774 3.2374 3.2374 3.2802 3.2802 3.4753 3.4753 3.5964 3.5964 3.8161 3.8161 4.0479 4.0479 5.6435 5.6435 5.8072 5.8072 8.6401 8.6401 8.6699 8.6699 10.0285 10.0285 10.2206 10.2206 12.0983 12.0983 k = 0.3768 0.5020 0.2384 ( 5660 PWs) bands (ev): -23.6816 -23.6816 -23.6815 -23.6815 -7.4093 -7.4093 -7.4033 -7.4033 -7.1624 -7.1624 -7.1523 -7.1523 -7.1319 -7.1319 -7.1299 -7.1299 -4.4423 -4.4423 -4.4209 -4.4209 0.9235 0.9235 1.0951 1.0951 1.4728 1.4728 1.8500 1.8500 2.0431 2.0431 2.1562 2.1562 2.6230 2.6230 2.7675 2.7675 3.2591 3.2591 3.2943 3.2943 3.4667 3.4667 3.5966 3.5966 3.7503 3.7503 3.9783 3.9783 5.6533 5.6533 5.8216 5.8216 8.6384 8.6384 8.6682 8.6682 10.1088 10.1088 10.3345 10.3345 12.0715 12.0715 k = 0.3696 0.5146 0.2384 ( 5664 PWs) bands (ev): -23.6816 -23.6816 -23.6815 -23.6815 -7.4094 -7.4094 -7.4032 -7.4032 -7.1623 -7.1623 -7.1516 -7.1516 -7.1329 -7.1329 -7.1305 -7.1305 -4.4391 -4.4391 -4.4172 -4.4172 0.9213 0.9213 1.0984 1.0984 1.4714 1.4714 1.8483 1.8483 2.0723 2.0723 2.1640 2.1640 2.6168 2.6168 2.7575 2.7575 3.2823 3.2823 3.3089 3.3089 3.4581 3.4581 3.5970 3.5970 3.6911 3.6911 3.9130 3.9130 5.6624 5.6624 5.8345 5.8345 8.6363 8.6363 8.6662 8.6662 10.1773 10.1773 10.4355 10.4355 12.0551 12.0551 k = 0.3623 0.5271 0.2384 ( 5664 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4094 -7.4094 -7.4031 -7.4031 -7.1622 -7.1622 -7.1510 -7.1510 -7.1338 -7.1338 -7.1310 -7.1310 -4.4363 -4.4363 -4.4139 -4.4139 0.9195 0.9195 1.1016 1.1016 1.4698 1.4698 1.8469 1.8469 2.0981 2.0981 2.1703 2.1703 2.6118 2.6118 2.7480 2.7480 3.3063 3.3063 3.3238 3.3238 3.4496 3.4496 3.5976 3.5976 3.6396 3.6396 3.8533 3.8533 5.6704 5.6704 5.8457 5.8457 8.6340 8.6340 8.6641 8.6641 10.2328 10.2328 10.5203 10.5203 12.0504 12.0504 k = 0.3551 0.5397 0.2384 ( 5676 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4031 -7.4031 -7.1622 -7.1622 -7.1505 -7.1505 -7.1345 -7.1345 -7.1314 -7.1314 -4.4340 -4.4340 -4.4112 -4.4112 0.9182 0.9182 1.1045 1.1045 1.4681 1.4681 1.8459 1.8459 2.1196 2.1196 2.1753 2.1753 2.6080 2.6080 2.7395 2.7395 3.3297 3.3297 3.3386 3.3386 3.4415 3.4415 3.5970 3.5970 3.5986 3.5986 3.8010 3.8010 5.6770 5.6770 5.8549 5.8549 8.6317 8.6317 8.6620 8.6620 10.2750 10.2750 10.5865 10.5865 12.0574 12.0574 k = 0.3478 0.5522 0.2384 ( 5680 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1501 -7.1501 -7.1351 -7.1351 -7.1317 -7.1317 -4.4322 -4.4322 -4.4091 -4.4091 0.9174 0.9174 1.1068 1.1068 1.4665 1.4665 1.8451 1.8451 2.1357 2.1357 2.1787 2.1787 2.6054 2.6054 2.7327 2.7327 3.3503 3.3503 3.3521 3.3521 3.4340 3.4340 3.5646 3.5646 3.5999 3.5999 3.7587 3.7587 5.6821 5.6821 5.8617 5.8617 8.6297 8.6297 8.6602 8.6602 10.3041 10.3041 10.6326 10.6326 12.0745 12.0745 k = 0.3406 0.5648 0.2384 ( 5680 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1499 -7.1499 -7.1354 -7.1354 -7.1319 -7.1319 -4.4311 -4.4311 -4.4079 -4.4079 0.9170 0.9170 1.1084 1.1084 1.4654 1.4654 1.8447 1.8447 2.1457 2.1457 2.1807 2.1807 2.6039 2.6039 2.7283 2.7283 3.3622 3.3622 3.3648 3.3648 3.4284 3.4284 3.5441 3.5441 3.6013 3.6013 3.7303 3.7303 5.6854 5.6854 5.8660 5.8660 8.6283 8.6283 8.6589 8.6589 10.3207 10.3207 10.6590 10.6590 12.0962 12.0962 k = 0.3333 0.5774 0.2384 ( 5682 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1498 -7.1498 -7.1355 -7.1355 -7.1319 -7.1319 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8446 1.8446 2.1491 2.1491 2.1814 2.1814 2.6034 2.6034 2.7267 2.7267 3.3658 3.3658 3.3701 3.3701 3.4264 3.4264 3.5370 3.5370 3.6019 3.6019 3.7202 3.7202 5.6865 5.6865 5.8675 5.8675 8.6277 8.6277 8.6584 8.6584 10.3259 10.3259 10.6673 10.6673 12.1085 12.1085 k = 0.3333 0.5774 0.2384 ( 5682 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1498 -7.1498 -7.1355 -7.1355 -7.1319 -7.1319 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8446 1.8446 2.1491 2.1491 2.1814 2.1814 2.6034 2.6034 2.7267 2.7267 3.3658 3.3658 3.3701 3.3701 3.4264 3.4264 3.5370 3.5370 3.6019 3.6019 3.7202 3.7202 5.6865 5.6865 5.8675 5.8675 8.6277 8.6277 8.6584 8.6584 10.3259 10.3259 10.6673 10.6673 12.1085 12.1085 k = 0.3261 0.5648 0.2384 ( 5674 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1499 -7.1499 -7.1354 -7.1354 -7.1319 -7.1319 -4.4312 -4.4312 -4.4079 -4.4079 0.9169 0.9169 1.1084 1.1084 1.4655 1.4655 1.8447 1.8447 2.1458 2.1458 2.1808 2.1808 2.6039 2.6039 2.7283 2.7283 3.3629 3.3629 3.3649 3.3649 3.4276 3.4276 3.5441 3.5441 3.6014 3.6014 3.7302 3.7302 5.6853 5.6853 5.8660 5.8660 8.6284 8.6284 8.6590 8.6590 10.3211 10.3211 10.6599 10.6599 12.0947 12.0947 k = 0.3188 0.5522 0.2384 ( 5682 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1501 -7.1501 -7.1351 -7.1351 -7.1317 -7.1317 -4.4324 -4.4324 -4.4093 -4.4093 0.9172 0.9172 1.1063 1.1063 1.4672 1.4672 1.8451 1.8451 2.1361 2.1361 2.1789 2.1789 2.6052 2.6052 2.7331 2.7331 3.3512 3.3512 3.3569 3.3569 3.4296 3.4296 3.5645 3.5645 3.6006 3.6006 3.7577 3.7577 5.6815 5.6815 5.8612 5.8612 8.6305 8.6305 8.6610 8.6610 10.3076 10.3076 10.6396 10.6396 12.0650 12.0650 k = 0.3116 0.5397 0.2384 ( 5666 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4094 -7.4094 -7.4030 -7.4030 -7.1621 -7.1621 -7.1503 -7.1503 -7.1347 -7.1347 -7.1315 -7.1315 -4.4346 -4.4346 -4.4118 -4.4118 0.9176 0.9176 1.1027 1.1027 1.4702 1.4702 1.8456 1.8456 2.1208 2.1208 2.1759 2.1759 2.6073 2.6073 2.7407 2.7407 3.3326 3.3326 3.3506 3.3506 3.4315 3.4315 3.5957 3.5957 3.6004 3.6004 3.7985 3.7985 5.6750 5.6750 5.8530 5.8530 8.6345 8.6345 8.6646 8.6646 10.2868 10.2868 10.6088 10.6088 12.0305 12.0305 k = 0.3043 0.5271 0.2384 ( 5670 PWs) bands (ev): -23.6816 -23.6816 -23.6815 -23.6815 -7.4094 -7.4094 -7.4030 -7.4030 -7.1620 -7.1620 -7.1506 -7.1506 -7.1342 -7.1342 -7.1312 -7.1312 -4.4378 -4.4378 -4.4153 -4.4153 0.9181 0.9181 1.0975 1.0975 1.4745 1.4745 1.8462 1.8462 2.1010 2.1010 2.1719 2.1719 2.6101 2.6101 2.7508 2.7508 3.3127 3.3127 3.3458 3.3458 3.4336 3.4336 3.6008 3.6008 3.6357 3.6357 3.8491 3.8491 5.6656 5.6656 5.8413 5.8413 8.6406 8.6406 8.6703 8.6703 10.2597 10.2597 10.5699 10.5699 11.9941 11.9941 k = 0.2971 0.5146 0.2384 ( 5678 PWs) bands (ev): -23.6816 -23.6816 -23.6815 -23.6815 -7.4092 -7.4092 -7.4030 -7.4030 -7.1620 -7.1620 -7.1510 -7.1510 -7.1336 -7.1336 -7.1309 -7.1309 -4.4420 -4.4420 -4.4199 -4.4199 0.9186 0.9186 1.0909 1.0909 1.4801 1.4801 1.8470 1.8470 2.0777 2.0777 2.1667 2.1667 2.6138 2.6138 2.7628 2.7628 3.2939 3.2939 3.3431 3.3431 3.4363 3.4363 3.6018 3.6018 3.6831 3.6831 3.9070 3.9070 5.6532 5.6532 5.8260 5.8260 8.6490 8.6490 8.6782 8.6782 10.2273 10.2273 10.5243 10.5243 11.9557 11.9557 k = 0.2899 0.5020 0.2384 ( 5678 PWs) bands (ev): -23.6816 -23.6816 -23.6816 -23.6816 -7.4091 -7.4091 -7.4030 -7.4030 -7.1618 -7.1618 -7.1513 -7.1513 -7.1329 -7.1329 -7.1305 -7.1305 -4.4472 -4.4472 -4.4257 -4.4257 0.9189 0.9189 1.0829 1.0829 1.4869 1.4869 1.8478 1.8478 2.0519 2.0519 2.1606 2.1606 2.6183 2.6183 2.7762 2.7762 3.2779 3.2779 3.3427 3.3427 3.4400 3.4400 3.6034 3.6034 3.7368 3.7368 3.9707 3.9707 5.6377 5.6377 5.8070 5.8070 8.6600 8.6600 8.6885 8.6885 10.1906 10.1906 10.4736 10.4736 11.9140 11.9140 k = 0.2826 0.4895 0.2384 ( 5678 PWs) bands (ev): -23.6817 -23.6817 -23.6816 -23.6816 -7.4089 -7.4089 -7.4030 -7.4030 -7.1617 -7.1617 -7.1516 -7.1516 -7.1322 -7.1322 -7.1300 -7.1300 -4.4535 -4.4535 -4.4327 -4.4327 0.9192 0.9192 1.0737 1.0737 1.4946 1.4946 1.8485 1.8485 2.0247 2.0247 2.1535 2.1535 2.6237 2.6237 2.7908 2.7908 3.2657 3.2657 3.3448 3.3448 3.4449 3.4449 3.6056 3.6056 3.7962 3.7962 4.0393 4.0393 5.6190 5.6190 5.7845 5.7845 8.6737 8.6737 8.7016 8.7016 10.1501 10.1501 10.4186 10.4186 11.8676 11.8676 k = 0.2754 0.4769 0.2384 ( 5674 PWs) bands (ev): -23.6817 -23.6817 -23.6817 -23.6817 -7.4086 -7.4086 -7.4029 -7.4029 -7.1615 -7.1615 -7.1519 -7.1519 -7.1314 -7.1314 -7.1295 -7.1295 -4.4609 -4.4609 -4.4408 -4.4408 0.9193 0.9193 1.0636 1.0636 1.5030 1.5030 1.8489 1.8489 1.9970 1.9970 2.1454 2.1454 2.6301 2.6301 2.8060 2.8060 3.2578 3.2578 3.3494 3.3494 3.4510 3.4510 3.6085 3.6085 3.8609 3.8609 4.1120 4.1120 5.5972 5.5972 5.7584 5.7584 8.6903 8.6903 8.7176 8.7176 10.1065 10.1065 10.3602 10.3602 11.8149 11.8149 k = 0.2681 0.4644 0.2384 ( 5670 PWs) bands (ev): -23.6818 -23.6818 -23.6817 -23.6817 -7.4083 -7.4083 -7.4028 -7.4028 -7.1613 -7.1613 -7.1521 -7.1521 -7.1307 -7.1307 -7.1290 -7.1290 -4.4694 -4.4694 -4.4500 -4.4500 0.9192 0.9192 1.0528 1.0528 1.5117 1.5117 1.8489 1.8489 1.9696 1.9696 2.1363 2.1363 2.6377 2.6377 2.8216 2.8216 3.2545 3.2545 3.3565 3.3565 3.4589 3.4589 3.6121 3.6121 3.9304 3.9304 4.1885 4.1885 5.5723 5.5723 5.7290 5.7290 8.7098 8.7098 8.7366 8.7366 10.0602 10.0602 10.2990 10.2990 11.7556 11.7556 k = 0.2609 0.4518 0.2384 ( 5670 PWs) bands (ev): -23.6818 -23.6818 -23.6818 -23.6818 -7.4080 -7.4080 -7.4027 -7.4027 -7.1610 -7.1610 -7.1523 -7.1523 -7.1299 -7.1299 -7.1284 -7.1284 -4.4790 -4.4790 -4.4604 -4.4604 0.9189 0.9189 1.0417 1.0417 1.5205 1.5205 1.8476 1.8476 1.9435 1.9435 2.1264 2.1264 2.6465 2.6465 2.8372 2.8372 3.2559 3.2559 3.3659 3.3659 3.4690 3.4690 3.6167 3.6167 4.0043 4.0043 4.2681 4.2681 5.5444 5.5444 5.6963 5.6963 8.7323 8.7323 8.7587 8.7587 10.0115 10.0115 10.2353 10.2353 11.6902 11.6902 k = 0.2536 0.4393 0.2384 ( 5656 PWs) bands (ev): -23.6819 -23.6819 -23.6818 -23.6818 -7.4076 -7.4076 -7.4025 -7.4025 -7.1607 -7.1607 -7.1524 -7.1524 -7.1291 -7.1291 -7.1278 -7.1278 -4.4896 -4.4896 -4.4720 -4.4720 0.9183 0.9183 1.0303 1.0303 1.5290 1.5290 1.8439 1.8439 1.9206 1.9206 2.1158 2.1158 2.6565 2.6565 2.8525 2.8525 3.2620 3.2620 3.3770 3.3770 3.4821 3.4821 3.6226 3.6226 4.0822 4.0822 4.3507 4.3507 5.5137 5.5137 5.6606 5.6606 8.7577 8.7577 8.7839 8.7839 9.9607 9.9607 10.1696 10.1696 11.6202 11.6202 k = 0.2464 0.4267 0.2384 ( 5644 PWs) bands (ev): -23.6820 -23.6820 -23.6819 -23.6819 -7.4072 -7.4072 -7.4023 -7.4023 -7.1603 -7.1603 -7.1525 -7.1525 -7.1283 -7.1283 -7.1272 -7.1272 -4.5013 -4.5013 -4.4846 -4.4846 0.9176 0.9176 1.0189 1.0189 1.5370 1.5370 1.8354 1.8354 1.9032 1.9032 2.1046 2.1046 2.6678 2.6678 2.8672 2.8672 3.2725 3.2725 3.3889 3.3889 3.4996 3.4996 3.6301 3.6301 4.1636 4.1636 4.4357 4.4357 5.4803 5.4803 5.6223 5.6223 8.7859 8.7859 8.8123 8.8123 9.9081 9.9081 10.1020 10.1020 11.5475 11.5475 k = 0.2391 0.4142 0.2384 ( 5656 PWs) bands (ev): -23.6821 -23.6821 -23.6820 -23.6820 -7.4067 -7.4067 -7.4020 -7.4020 -7.1599 -7.1599 -7.1526 -7.1526 -7.1275 -7.1275 -7.1265 -7.1265 -4.5139 -4.5139 -4.4982 -4.4982 0.9167 0.9167 1.0076 1.0076 1.5442 1.5442 1.8205 1.8205 1.8933 1.8933 2.0929 2.0929 2.6804 2.6804 2.8810 2.8810 3.2869 3.2869 3.4007 3.4007 3.5226 3.5226 3.6397 3.6397 4.2483 4.2483 4.5230 4.5230 5.4444 5.4444 5.5815 5.5815 8.8168 8.8168 8.8439 8.8439 9.8538 9.8538 10.0329 10.0329 11.4737 11.4737 k = 0.2319 0.4016 0.2384 ( 5664 PWs) bands (ev): -23.6822 -23.6822 -23.6821 -23.6821 -7.4062 -7.4062 -7.4017 -7.4017 -7.1595 -7.1595 -7.1526 -7.1526 -7.1267 -7.1267 -7.1258 -7.1258 -4.5275 -4.5275 -4.5128 -4.5128 0.9155 0.9155 0.9967 0.9967 1.5505 1.5505 1.8007 1.8007 1.8895 1.8895 2.0811 2.0811 2.6941 2.6941 2.8939 2.8939 3.3046 3.3046 3.4114 3.4114 3.5524 3.5524 3.6522 3.6522 4.3358 4.3358 4.6121 4.6121 5.4063 5.4063 5.5389 5.5389 8.8502 8.8502 8.8785 8.8785 9.7980 9.7980 9.9625 9.9625 11.4002 11.4002 k = 0.2246 0.3891 0.2384 ( 5662 PWs) bands (ev): -23.6823 -23.6823 -23.6822 -23.6822 -7.4057 -7.4057 -7.4014 -7.4014 -7.1590 -7.1590 -7.1526 -7.1526 -7.1259 -7.1259 -7.1251 -7.1251 -4.5420 -4.5420 -4.5282 -4.5282 0.9143 0.9143 0.9861 0.9861 1.5557 1.5557 1.7786 1.7786 1.8892 1.8892 2.0694 2.0694 2.7087 2.7087 2.9057 2.9057 3.3247 3.3247 3.4207 3.4207 3.5893 3.5893 3.6684 3.6684 4.4258 4.4258 4.7024 4.7024 5.3664 5.3664 5.4950 5.4950 8.8856 8.8856 8.9159 8.9159 9.7407 9.7407 9.8912 9.8912 11.3281 11.3281 k = 0.2174 0.3765 0.2384 ( 5654 PWs) bands (ev): -23.6824 -23.6824 -23.6823 -23.6823 -7.4051 -7.4051 -7.4011 -7.4011 -7.1585 -7.1585 -7.1525 -7.1525 -7.1250 -7.1250 -7.1244 -7.1244 -4.5574 -4.5574 -4.5445 -4.5445 0.9128 0.9128 0.9761 0.9761 1.5597 1.5597 1.7559 1.7559 1.8909 1.8909 2.0579 2.0579 2.7243 2.7243 2.9164 2.9164 3.3461 3.3461 3.4285 3.4285 3.6335 3.6335 3.6894 3.6894 4.5178 4.5178 4.7931 4.7931 5.3250 5.3250 5.4506 5.4506 8.9228 8.9228 8.9561 8.9561 9.6822 9.6822 9.8193 9.8193 11.2581 11.2581 k = 0.2101 0.3640 0.2384 ( 5662 PWs) bands (ev): -23.6825 -23.6825 -23.6824 -23.6824 -7.4044 -7.4044 -7.4007 -7.4007 -7.1581 -7.1581 -7.1525 -7.1525 -7.1241 -7.1241 -7.1236 -7.1236 -4.5734 -4.5734 -4.5616 -4.5616 0.9112 0.9112 0.9665 0.9665 1.5624 1.5624 1.7333 1.7333 1.8937 1.8937 2.0469 2.0469 2.7405 2.7405 2.9261 2.9261 3.3674 3.3674 3.4351 3.4351 3.6845 3.6845 3.7164 3.7164 4.6113 4.6113 4.8827 4.8827 5.2827 5.2827 5.4074 5.4074 8.9609 8.9609 8.9988 8.9988 9.6225 9.6225 9.7474 9.7474 11.1908 11.1908 k = 0.2029 0.3514 0.2384 ( 5654 PWs) bands (ev): -23.6826 -23.6826 -23.6825 -23.6825 -7.4038 -7.4038 -7.4003 -7.4003 -7.1576 -7.1576 -7.1524 -7.1524 -7.1231 -7.1231 -7.1227 -7.1227 -4.5901 -4.5901 -4.5792 -4.5792 0.9095 0.9095 0.9575 0.9575 1.5638 1.5638 1.7114 1.7114 1.8974 1.8974 2.0366 2.0366 2.7573 2.7573 2.9349 2.9349 3.3876 3.3876 3.4407 3.4407 3.7419 3.7419 3.7505 3.7505 4.7054 4.7054 4.9682 4.9682 5.2404 5.2404 5.3685 5.3685 8.9990 8.9990 9.0435 9.0435 9.5620 9.5620 9.6765 9.6765 11.1268 11.1268 k = 0.1957 0.3389 0.2384 ( 5642 PWs) bands (ev): -23.6827 -23.6827 -23.6826 -23.6826 -7.4031 -7.4031 -7.3999 -7.3999 -7.1570 -7.1570 -7.1523 -7.1523 -7.1222 -7.1222 -7.1218 -7.1218 -4.6074 -4.6074 -4.5975 -4.5975 0.9076 0.9076 0.9490 0.9490 1.5639 1.5639 1.6903 1.6903 1.9017 1.9017 2.0272 2.0272 2.7745 2.7745 2.9430 2.9430 3.4055 3.4055 3.4455 3.4455 3.7926 3.7926 3.8054 3.8054 4.7983 4.7983 5.0416 5.0416 5.1999 5.1999 5.3420 5.3420 9.0353 9.0353 9.0895 9.0895 9.5011 9.5011 9.6083 9.6083 11.0664 11.0664 k = 0.1884 0.3263 0.2384 ( 5646 PWs) bands (ev): -23.6828 -23.6828 -23.6828 -23.6828 -7.4025 -7.4025 -7.3995 -7.3995 -7.1566 -7.1566 -7.1523 -7.1523 -7.1211 -7.1211 -7.1209 -7.1209 -4.6252 -4.6252 -4.6162 -4.6162 0.9056 0.9056 0.9411 0.9411 1.5629 1.5629 1.6702 1.6702 1.9065 1.9065 2.0188 2.0188 2.7920 2.7920 2.9506 2.9506 3.4207 3.4207 3.4495 3.4495 3.8429 3.8429 3.8745 3.8745 4.8853 4.8853 5.0857 5.0857 5.1661 5.1661 5.3451 5.3451 9.0667 9.0667 9.1353 9.1353 9.4412 9.4412 9.5458 9.5458 11.0098 11.0098 k = 0.1812 0.3138 0.2384 ( 5644 PWs) bands (ev): -23.6830 -23.6830 -23.6829 -23.6829 -7.4018 -7.4018 -7.3991 -7.3991 -7.1561 -7.1561 -7.1522 -7.1522 -7.1201 -7.1201 -7.1199 -7.1199 -4.6434 -4.6434 -4.6352 -4.6352 0.9035 0.9035 0.9337 0.9337 1.5608 1.5608 1.6511 1.6511 1.9117 1.9117 2.0115 2.0115 2.8098 2.8098 2.9579 2.9579 3.4330 3.4330 3.4529 3.4529 3.9012 3.9012 3.9486 3.9486 4.9514 4.9514 5.0867 5.0867 5.1540 5.1540 5.3917 5.3917 9.0876 9.0876 9.1766 9.1766 9.3864 9.3864 9.4945 9.4945 10.9572 10.9572 k = 0.1739 0.3012 0.2384 ( 5644 PWs) bands (ev): -23.6831 -23.6831 -23.6830 -23.6830 -7.4012 -7.4012 -7.3987 -7.3987 -7.1556 -7.1556 -7.1521 -7.1521 -7.1189 -7.1189 -7.1188 -7.1188 -4.6618 -4.6618 -4.6545 -4.6545 0.9013 0.9013 0.9267 0.9267 1.5578 1.5578 1.6332 1.6332 1.9172 1.9172 2.0052 2.0052 2.8278 2.8278 2.9650 2.9650 3.4427 3.4427 3.4558 3.4558 3.9669 3.9669 4.0274 4.0274 4.9690 4.9690 5.0582 5.0582 5.1913 5.1913 5.4683 5.4683 9.0897 9.0897 9.1984 9.1984 9.3514 9.3514 9.4625 9.4625 10.9087 10.9087 k = 0.1667 0.2887 0.2384 ( 5660 PWs) bands (ev): -23.6833 -23.6833 -23.6832 -23.6832 -7.4005 -7.4005 -7.3983 -7.3983 -7.1552 -7.1552 -7.1520 -7.1520 -7.1177 -7.1177 -7.1176 -7.1176 -4.6805 -4.6805 -4.6739 -4.6739 0.8988 0.8988 0.9201 0.9201 1.5541 1.5541 1.6164 1.6164 1.9230 1.9230 2.0002 2.0002 2.8460 2.8460 2.9722 2.9722 3.4502 3.4502 3.4582 3.4582 4.0393 4.0393 4.1101 4.1101 4.9466 4.9466 5.0172 5.0172 5.2698 5.2698 5.5582 5.5582 9.0665 9.0665 9.1758 9.1758 9.3607 9.3607 9.4562 9.4562 10.8646 10.8646 k = 0.1594 0.2761 0.2384 ( 5666 PWs) bands (ev): -23.6834 -23.6834 -23.6833 -23.6833 -7.3999 -7.3999 -7.3979 -7.3979 -7.1548 -7.1548 -7.1520 -7.1520 -7.1165 -7.1165 -7.1164 -7.1164 -4.6992 -4.6992 -4.6934 -4.6934 0.8962 0.8962 0.9139 0.9139 1.5498 1.5498 1.6010 1.6010 1.9290 1.9290 1.9962 1.9962 2.8643 2.8643 2.9796 2.9796 3.4557 3.4557 3.4600 3.4600 4.1173 4.1173 4.1959 4.1959 4.9104 4.9104 4.9716 4.9716 5.3640 5.3640 5.6537 5.6537 9.0196 9.0196 9.1211 9.1211 9.4018 9.4018 9.4739 9.4739 10.8249 10.8249 k = 0.1522 0.2636 0.2384 ( 5662 PWs) bands (ev): -23.6835 -23.6835 -23.6835 -23.6835 -7.3993 -7.3993 -7.3975 -7.3975 -7.1544 -7.1544 -7.1519 -7.1519 -7.1152 -7.1152 -7.1151 -7.1151 -4.7179 -4.7179 -4.7128 -4.7128 0.8934 0.8934 0.9079 0.9079 1.5452 1.5452 1.5867 1.5867 1.9351 1.9351 1.9932 1.9932 2.8828 2.8828 2.9872 2.9872 3.4597 3.4597 3.4614 3.4614 4.1997 4.1997 4.2835 4.2835 4.8713 4.8713 4.9252 4.9252 5.4636 5.4636 5.7517 5.7517 8.9565 8.9565 9.0546 9.0546 9.4539 9.4539 9.5078 9.5078 10.7896 10.7896 k = 0.1449 0.2510 0.2384 ( 5658 PWs) bands (ev): -23.6837 -23.6837 -23.6836 -23.6836 -7.3988 -7.3988 -7.3972 -7.3972 -7.1541 -7.1541 -7.1519 -7.1519 -7.1138 -7.1138 -7.1138 -7.1138 -4.7365 -4.7365 -4.7320 -4.7320 0.8904 0.8904 0.9022 0.9022 1.5404 1.5404 1.5738 1.5738 1.9414 1.9414 1.9912 1.9912 2.9014 2.9014 2.9953 2.9953 3.4624 3.4624 3.4624 3.4624 4.2846 4.2846 4.3703 4.3703 4.8349 4.8349 4.8807 4.8807 5.5655 5.5655 5.8505 5.8505 8.8836 8.8836 8.9829 8.9829 9.5101 9.5101 9.5511 9.5511 10.7590 10.7590 k = 0.1377 0.2385 0.2384 ( 5658 PWs) bands (ev): -23.6838 -23.6838 -23.6837 -23.6837 -7.3983 -7.3983 -7.3969 -7.3969 -7.1537 -7.1537 -7.1519 -7.1519 -7.1125 -7.1125 -7.1124 -7.1124 -4.7549 -4.7549 -4.7510 -4.7510 0.8871 0.8871 0.8966 0.8966 1.5355 1.5355 1.5622 1.5622 1.9476 1.9476 1.9901 1.9901 2.9201 2.9201 3.0039 3.0039 3.4629 3.4629 3.4640 3.4640 4.3686 4.3686 4.4506 4.4506 4.8079 4.8079 4.8419 4.8419 5.6682 5.6682 5.9491 5.9491 8.8049 8.8049 8.9077 8.9077 9.5681 9.5681 9.5999 9.5999 10.7332 10.7332 k = 0.1304 0.2259 0.2384 ( 5650 PWs) bands (ev): -23.6839 -23.6839 -23.6839 -23.6839 -7.3978 -7.3978 -7.3966 -7.3966 -7.1535 -7.1535 -7.1519 -7.1519 -7.1110 -7.1110 -7.1109 -7.1109 -4.7729 -4.7729 -4.7696 -4.7696 0.8836 0.8836 0.8912 0.8912 1.5308 1.5308 1.5519 1.5519 1.9539 1.9539 1.9897 1.9897 2.9391 2.9391 3.0131 3.0131 3.4629 3.4629 3.4647 3.4647 4.4447 4.4447 4.5117 4.5117 4.8034 4.8034 4.8157 4.8157 5.7709 5.7709 6.0469 6.0469 8.7222 8.7222 8.8296 8.8296 9.6267 9.6267 9.6515 9.6515 10.7122 10.7122 k = 0.1232 0.2134 0.2384 ( 5654 PWs) bands (ev): -23.6841 -23.6841 -23.6840 -23.6840 -7.3974 -7.3974 -7.3963 -7.3963 -7.1532 -7.1532 -7.1518 -7.1518 -7.1095 -7.1095 -7.1094 -7.1094 -4.7906 -4.7906 -4.7878 -4.7878 0.8799 0.8799 0.8859 0.8859 1.5264 1.5264 1.5429 1.5429 1.9600 1.9600 1.9900 1.9900 2.9582 2.9582 3.0231 3.0231 3.4624 3.4624 3.4647 3.4647 4.4990 4.4990 4.5365 4.5365 4.8163 4.8163 4.8389 4.8389 5.8728 5.8728 6.1433 6.1433 8.6368 8.6368 8.7490 8.7490 9.6853 9.6853 9.7044 9.7044 10.6962 10.6962 k = 0.1159 0.2008 0.2384 ( 5646 PWs) bands (ev): -23.6842 -23.6842 -23.6841 -23.6841 -7.3970 -7.3970 -7.3961 -7.3961 -7.1530 -7.1530 -7.1518 -7.1518 -7.1080 -7.1080 -7.1079 -7.1079 -4.8077 -4.8077 -4.8054 -4.8054 0.8760 0.8760 0.8806 0.8806 1.5224 1.5224 1.5350 1.5350 1.9660 1.9660 1.9909 1.9909 2.9774 2.9774 3.0337 3.0337 3.4615 3.4615 3.4639 3.4639 4.5168 4.5168 4.5265 4.5265 4.8583 4.8583 4.9128 4.9128 5.9736 5.9736 6.2375 6.2375 8.5494 8.5494 8.6656 8.6656 9.7430 9.7430 9.7575 9.7575 10.6855 10.6855 k = 0.1087 0.1883 0.2384 ( 5638 PWs) bands (ev): -23.6843 -23.6843 -23.6842 -23.6842 -7.3967 -7.3967 -7.3960 -7.3960 -7.1528 -7.1528 -7.1518 -7.1518 -7.1065 -7.1065 -7.1064 -7.1064 -4.8243 -4.8243 -4.8224 -4.8224 0.8719 0.8719 0.8755 0.8755 1.5188 1.5188 1.5284 1.5284 1.9719 1.9719 1.9922 1.9922 2.9969 2.9969 3.0451 3.0451 3.4600 3.4600 3.4625 3.4625 4.4984 4.4984 4.5029 4.5029 4.9367 4.9367 5.0083 5.0083 6.0728 6.0728 6.3292 6.3292 8.4601 8.4601 8.5796 8.5796 9.7993 9.7993 9.8099 9.8099 10.6801 10.6801 k = 0.1014 0.1757 0.2384 ( 5622 PWs) bands (ev): -23.6844 -23.6844 -23.6844 -23.6844 -7.3964 -7.3964 -7.3958 -7.3958 -7.1526 -7.1526 -7.1518 -7.1518 -7.1049 -7.1049 -7.1048 -7.1048 -4.8402 -4.8402 -4.8387 -4.8387 0.8677 0.8677 0.8704 0.8704 1.5156 1.5156 1.5229 1.5229 1.9775 1.9775 1.9940 1.9940 3.0164 3.0164 3.0573 3.0573 3.4581 3.4581 3.4605 3.4605 4.4630 4.4630 4.4728 4.4728 5.0360 5.0360 5.1148 5.1148 6.1697 6.1697 6.4176 6.4176 8.3692 8.3692 8.4907 8.4907 9.8535 9.8535 9.8607 9.8607 10.6802 10.6802 k = 0.0942 0.1632 0.2384 ( 5634 PWs) bands (ev): -23.6846 -23.6846 -23.6845 -23.6845 -7.3962 -7.3962 -7.3957 -7.3957 -7.1525 -7.1525 -7.1519 -7.1519 -7.1034 -7.1034 -7.1033 -7.1033 -4.8554 -4.8554 -4.8541 -4.8541 0.8634 0.8634 0.8654 0.8654 1.5130 1.5130 1.5183 1.5183 1.9829 1.9829 1.9960 1.9960 3.0361 3.0361 3.0702 3.0702 3.4556 3.4556 3.4578 3.4578 4.4249 4.4249 4.4360 4.4360 5.1467 5.1467 5.2275 5.2275 6.2641 6.2641 6.5022 6.5022 8.2768 8.2768 8.3989 8.3989 9.9050 9.9050 9.9093 9.9093 10.6857 10.6857 k = 0.0870 0.1506 0.2384 ( 5638 PWs) bands (ev): -23.6847 -23.6847 -23.6846 -23.6846 -7.3961 -7.3961 -7.3957 -7.3957 -7.1524 -7.1524 -7.1519 -7.1519 -7.1019 -7.1019 -7.1018 -7.1018 -4.8698 -4.8698 -4.8688 -4.8688 0.8591 0.8591 0.8605 0.8605 1.5109 1.5109 1.5147 1.5147 1.9880 1.9880 1.9982 1.9982 3.0559 3.0559 3.0839 3.0839 3.4526 3.4526 3.4546 3.4546 4.3863 4.3863 4.3969 4.3969 5.2642 5.2642 5.3442 5.3442 6.3553 6.3553 6.5824 6.5824 8.1828 8.1828 8.3040 8.3040 9.9532 9.9532 9.9550 9.9550 10.6966 10.6966 k = 0.0797 0.1381 0.2384 ( 5634 PWs) bands (ev): -23.6848 -23.6848 -23.6847 -23.6847 -7.3960 -7.3960 -7.3956 -7.3956 -7.1523 -7.1523 -7.1519 -7.1519 -7.1005 -7.1005 -7.1004 -7.1004 -4.8832 -4.8832 -4.8825 -4.8825 0.8548 0.8548 0.8558 0.8558 1.5092 1.5092 1.5119 1.5119 1.9928 1.9928 2.0006 2.0006 3.0757 3.0757 3.0983 3.0983 3.4490 3.4490 3.4508 3.4508 4.3484 4.3484 4.3578 4.3578 5.3863 5.3863 5.4637 5.4637 6.4428 6.4428 6.6576 6.6576 8.0873 8.0873 8.2059 8.2059 9.9973 9.9973 9.9977 9.9977 10.7126 10.7126 k = 0.0725 0.1255 0.2384 ( 5626 PWs) bands (ev): -23.6849 -23.6849 -23.6848 -23.6848 -7.3959 -7.3959 -7.3956 -7.3956 -7.1522 -7.1522 -7.1519 -7.1519 -7.0991 -7.0991 -7.0990 -7.0990 -4.8958 -4.8958 -4.8952 -4.8952 0.8505 0.8505 0.8512 0.8512 1.5080 1.5080 1.5099 1.5099 1.9972 1.9972 2.0030 2.0030 3.0955 3.0955 3.1133 3.1133 3.4447 3.4447 3.4464 3.4464 4.3118 4.3118 4.3197 4.3197 5.5118 5.5118 5.5852 5.5852 6.5261 6.5261 6.7272 6.7272 7.9902 7.9902 8.1045 8.1045 10.0359 10.0359 10.0379 10.0379 10.7329 10.7329 k = 0.0652 0.1130 0.2384 ( 5622 PWs) bands (ev): -23.6850 -23.6850 -23.6849 -23.6849 -7.3958 -7.3958 -7.3956 -7.3956 -7.1522 -7.1522 -7.1519 -7.1519 -7.0977 -7.0977 -7.0977 -7.0977 -4.9073 -4.9073 -4.9068 -4.9068 0.8465 0.8465 0.8469 0.8469 1.5071 1.5071 1.5084 1.5084 2.0013 2.0013 2.0055 2.0055 3.1151 3.1151 3.1288 3.1288 3.4399 3.4399 3.4414 3.4414 4.2772 4.2772 4.2835 4.2835 5.6398 5.6398 5.7080 5.7080 6.6047 6.6047 6.7905 6.7905 7.8916 7.8916 8.0000 8.0000 10.0706 10.0706 10.0736 10.0736 10.7565 10.7565 k = 0.0580 0.1004 0.2384 ( 5614 PWs) bands (ev): -23.6850 -23.6850 -23.6850 -23.6850 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1519 -7.1519 -7.0965 -7.0965 -7.0964 -7.0964 -4.9177 -4.9177 -4.9174 -4.9174 0.8426 0.8426 0.8429 0.8429 1.5066 1.5066 1.5074 1.5074 2.0049 2.0049 2.0078 2.0078 3.1345 3.1345 3.1446 3.1446 3.4344 3.4344 3.4357 3.4357 4.2449 4.2449 4.2497 4.2497 5.7697 5.7697 5.8317 5.8317 6.6779 6.6779 6.8470 6.8470 7.7914 7.7914 7.8923 7.8923 10.1013 10.1013 10.1048 10.1048 10.7819 10.7819 k = 0.0507 0.0879 0.2384 ( 5610 PWs) bands (ev): -23.6851 -23.6851 -23.6850 -23.6850 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1520 -7.1520 -7.0954 -7.0954 -7.0953 -7.0953 -4.9270 -4.9270 -4.9268 -4.9268 0.8391 0.8391 0.8393 0.8393 1.5063 1.5063 1.5068 1.5068 2.0081 2.0081 2.0101 2.0101 3.1533 3.1533 3.1605 3.1605 3.4284 3.4284 3.4295 3.4295 4.2153 4.2153 4.2187 4.2187 5.9007 5.9007 5.9557 5.9557 6.7453 6.7453 6.8960 6.8960 7.6898 7.6898 7.7818 7.7818 10.1280 10.1280 10.1315 10.1315 10.8074 10.8074 k = 0.0435 0.0753 0.2384 ( 5620 PWs) bands (ev): -23.6852 -23.6852 -23.6851 -23.6851 -7.3958 -7.3958 -7.3957 -7.3957 -7.1521 -7.1521 -7.1520 -7.1520 -7.0944 -7.0944 -7.0943 -7.0943 -4.9352 -4.9352 -4.9351 -4.9351 0.8358 0.8358 0.8360 0.8360 1.5062 1.5062 1.5065 1.5065 2.0109 2.0109 2.0121 2.0121 3.1714 3.1714 3.1762 3.1762 3.4219 3.4219 3.4227 3.4227 4.1888 4.1888 4.1911 4.1911 6.0323 6.0323 6.0793 6.0793 6.8061 6.8061 6.9369 6.9369 7.5874 7.5874 7.6690 7.6690 10.1509 10.1509 10.1538 10.1538 10.8306 10.8306 k = 0.0362 0.0628 0.2384 ( 5616 PWs) bands (ev): -23.6852 -23.6852 -23.6852 -23.6852 -7.3958 -7.3958 -7.3958 -7.3958 -7.1520 -7.1520 -7.1520 -7.1520 -7.0935 -7.0935 -7.0934 -7.0934 -4.9422 -4.9422 -4.9421 -4.9421 0.8330 0.8330 0.8331 0.8331 1.5062 1.5062 1.5064 1.5064 2.0133 2.0133 2.0140 2.0140 3.1884 3.1884 3.1913 3.1913 3.4151 3.4151 3.4157 3.4157 4.1657 4.1657 4.1671 4.1671 6.1635 6.1635 6.2019 6.2019 6.8596 6.8596 6.9688 6.9688 7.4850 7.4850 7.5546 7.5546 10.1700 10.1700 10.1721 10.1721 10.8492 10.8492 k = 0.0290 0.0502 0.2384 ( 5612 PWs) bands (ev): -23.6853 -23.6853 -23.6852 -23.6852 -7.3959 -7.3959 -7.3958 -7.3958 -7.1520 -7.1520 -7.1520 -7.1520 -7.0928 -7.0928 -7.0927 -7.0927 -4.9480 -4.9480 -4.9479 -4.9479 0.8307 0.8307 0.8307 0.8307 1.5063 1.5063 1.5064 1.5064 2.0152 2.0152 2.0156 2.0156 3.2038 3.2038 3.2054 3.2054 3.4082 3.4082 3.4086 3.4086 4.1463 4.1463 4.1471 4.1471 6.2932 6.2932 6.3222 6.3222 6.9046 6.9046 6.9902 6.9902 7.3844 7.3844 7.4404 7.4404 10.1853 10.1853 10.1867 10.1867 10.8616 10.8617 k = 0.0217 0.0377 0.2384 ( 5610 PWs) bands (ev): -23.6853 -23.6853 -23.6852 -23.6852 -7.3959 -7.3959 -7.3958 -7.3958 -7.1520 -7.1520 -7.1520 -7.1520 -7.0922 -7.0922 -7.0921 -7.0921 -4.9525 -4.9525 -4.9525 -4.9525 0.8288 0.8288 0.8288 0.8288 1.5065 1.5065 1.5065 1.5065 2.0167 2.0167 2.0168 2.0168 3.2171 3.2171 3.2179 3.2179 3.4016 3.4016 3.4019 3.4019 4.1309 4.1309 4.1312 4.1312 6.4193 6.4193 6.4386 6.4386 6.9391 6.9391 6.9987 6.9987 7.2897 7.2897 7.3298 7.3298 10.1971 10.1971 10.1977 10.1977 10.8674 10.8674 k = 0.0145 0.0251 0.2384 ( 5606 PWs) bands (ev): -23.6853 -23.6853 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0918 -7.0918 -7.0917 -7.0917 -4.9557 -4.9557 -4.9557 -4.9557 0.8274 0.8274 0.8274 0.8274 1.5066 1.5066 1.5066 1.5066 2.0177 2.0177 2.0178 2.0178 3.2276 3.2276 3.2278 3.2278 3.3961 3.3961 3.3962 3.3962 4.1197 4.1197 4.1198 4.1198 6.5374 6.5374 6.5471 6.5471 6.9584 6.9584 6.9892 6.9892 7.2100 7.2100 7.2310 7.2310 10.2053 10.2053 10.2055 10.2055 10.8688 10.8699 k = 0.0072 0.0126 0.2384 ( 5618 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0915 -7.0915 -7.0915 -7.0915 -4.9577 -4.9577 -4.9577 -4.9577 0.8266 0.8266 0.8266 0.8266 1.5067 1.5067 1.5067 1.5067 2.0184 2.0184 2.0184 2.0184 3.2343 3.2343 3.2343 3.2343 3.3923 3.3923 3.3924 3.3924 4.1129 4.1129 4.1129 4.1129 6.6351 6.6351 6.6373 6.6373 6.9541 6.9541 6.9603 6.9603 7.1585 7.1585 7.1626 7.1626 10.2102 10.2102 10.2102 10.2102 10.8668 10.8670 k = 0.0000 0.0000 0.2384 ( 5606 PWs) bands (ev): -23.6854 -23.6854 -23.6853 -23.6853 -7.3959 -7.3959 -7.3959 -7.3959 -7.1520 -7.1520 -7.1520 -7.1520 -7.0915 -7.0915 -7.0914 -7.0914 -4.9583 -4.9583 -4.9583 -4.9583 0.8263 0.8263 0.8263 0.8263 1.5067 1.5067 1.5067 1.5067 2.0186 2.0186 2.0186 2.0186 3.2366 3.2366 3.2366 3.2366 3.3910 3.3910 3.3910 3.3910 4.1106 4.1106 4.1106 4.1106 6.6785 6.6785 6.6785 6.6785 6.9402 6.9402 6.9402 6.9402 7.1411 7.1411 7.1411 7.1411 10.2118 10.2118 10.2118 10.2118 10.8659 10.8659 k = 0.5000 0.2887 0.2384 ( 5660 PWs) bands (ev): -23.6819 -23.6819 -23.6819 -23.6819 -7.4076 -7.4076 -7.4075 -7.4075 -7.1637 -7.1637 -7.1637 -7.1637 -7.1177 -7.1177 -7.1176 -7.1176 -4.4855 -4.4855 -4.4855 -4.4855 1.0320 1.0320 1.0320 1.0320 1.5389 1.5389 1.5389 1.5389 1.9528 1.9528 1.9528 1.9528 2.8111 2.8111 2.8111 2.8111 3.1276 3.1276 3.1276 3.1276 3.5814 3.5814 3.5814 3.5814 4.9049 4.9049 4.9049 4.9049 5.5663 5.5663 5.5663 5.5663 8.5544 8.5544 8.5545 8.5545 8.7812 8.7812 8.7812 8.7812 12.6101 12.6101 k = 0.5000 0.2887 0.2244 ( 5656 PWs) bands (ev): -23.6820 -23.6820 -23.6818 -23.6818 -7.4080 -7.4080 -7.4071 -7.4071 -7.1644 -7.1644 -7.1631 -7.1631 -7.1183 -7.1183 -7.1169 -7.1169 -4.4893 -4.4893 -4.4816 -4.4816 1.0248 1.0248 1.0393 1.0393 1.5379 1.5379 1.5400 1.5400 1.9491 1.9491 1.9566 1.9566 2.8103 2.8103 2.8119 2.8119 3.1229 3.1229 3.1322 3.1322 3.5810 3.5810 3.5819 3.5819 4.8998 4.8998 4.9100 4.9100 5.5538 5.5538 5.5779 5.5779 8.5230 8.5230 8.5827 8.5827 8.7517 8.7517 8.8198 8.8198 12.5486 12.5486 k = 0.5000 0.2887 0.2104 ( 5654 PWs) bands (ev): -23.6820 -23.6820 -23.6818 -23.6818 -7.4085 -7.4085 -7.4067 -7.4067 -7.1650 -7.1650 -7.1624 -7.1624 -7.1189 -7.1189 -7.1162 -7.1162 -4.4931 -4.4931 -4.4779 -4.4779 1.0177 1.0177 1.0464 1.0464 1.5369 1.5369 1.5410 1.5410 1.9455 1.9455 1.9606 1.9606 2.8095 2.8095 2.8126 2.8126 3.1183 3.1183 3.1368 3.1368 3.5806 3.5806 3.5822 3.5822 4.8947 4.8947 4.9151 4.9151 5.5405 5.5405 5.5885 5.5885 8.4912 8.4912 8.6029 8.6029 8.7346 8.7346 8.8664 8.8664 12.4773 12.4773 k = 0.5000 0.2887 0.1963 ( 5662 PWs) bands (ev): -23.6821 -23.6821 -23.6817 -23.6817 -7.4090 -7.4090 -7.4063 -7.4063 -7.1657 -7.1657 -7.1619 -7.1619 -7.1195 -7.1195 -7.1154 -7.1154 -4.4968 -4.4968 -4.4742 -4.4742 1.0107 1.0107 1.0535 1.0535 1.5359 1.5359 1.5420 1.5420 1.9421 1.9421 1.9646 1.9646 2.8087 2.8087 2.8134 2.8134 3.1138 3.1138 3.1412 3.1412 3.5801 3.5801 3.5826 3.5826 4.8898 4.8898 4.9201 4.9201 5.5267 5.5267 5.5980 5.5980 8.4607 8.4607 8.6095 8.6095 8.7341 8.7341 8.9203 8.9203 12.4025 12.4025 k = 0.5000 0.2887 0.1823 ( 5658 PWs) bands (ev): -23.6821 -23.6821 -23.6817 -23.6817 -7.4094 -7.4094 -7.4060 -7.4060 -7.1664 -7.1664 -7.1613 -7.1613 -7.1199 -7.1199 -7.1146 -7.1146 -4.5004 -4.5004 -4.4706 -4.4706 1.0040 1.0040 1.0604 1.0604 1.5349 1.5349 1.5429 1.5429 1.9389 1.9389 1.9686 1.9686 2.8079 2.8079 2.8141 2.8141 3.1093 3.1093 3.1456 3.1456 3.5797 3.5797 3.5829 3.5829 4.8850 4.8850 4.9250 4.9250 5.5126 5.5126 5.6063 5.6063 8.4323 8.4323 8.6033 8.6033 8.7484 8.7484 8.9812 8.9812 12.3276 12.3276 k = 0.5000 0.2887 0.1683 ( 5650 PWs) bands (ev): -23.6821 -23.6821 -23.6816 -23.6816 -7.4099 -7.4099 -7.4057 -7.4057 -7.1670 -7.1670 -7.1608 -7.1608 -7.1204 -7.1204 -7.1138 -7.1138 -4.5039 -4.5039 -4.4671 -4.4671 0.9974 0.9974 1.0671 1.0671 1.5340 1.5340 1.5438 1.5438 1.9359 1.9359 1.9726 1.9726 2.8071 2.8071 2.8147 2.8147 3.1050 3.1050 3.1499 3.1499 3.5792 3.5792 3.5832 3.5832 4.8803 4.8803 4.9297 4.9297 5.4985 5.4985 5.6133 5.6133 8.4066 8.4066 8.5911 8.5911 8.7701 8.7701 9.0484 9.0484 12.2539 12.2539 k = 0.5000 0.2887 0.1543 ( 5642 PWs) bands (ev): -23.6822 -23.6822 -23.6816 -23.6816 -7.4104 -7.4104 -7.4054 -7.4054 -7.1676 -7.1676 -7.1604 -7.1604 -7.1207 -7.1207 -7.1130 -7.1130 -4.5073 -4.5073 -4.4638 -4.4638 0.9912 0.9912 1.0735 1.0735 1.5331 1.5331 1.5447 1.5447 1.9331 1.9331 1.9765 1.9765 2.8063 2.8063 2.8153 2.8153 3.1008 3.1008 3.1539 3.1539 3.5788 3.5788 3.5834 3.5834 4.8759 4.8759 4.9342 4.9342 5.4844 5.4844 5.6191 5.6191 8.3837 8.3837 8.5778 8.5778 8.7940 8.7940 9.1213 9.1213 12.1809 12.1809 k = 0.5000 0.2887 0.1402 ( 5646 PWs) bands (ev): -23.6822 -23.6822 -23.6815 -23.6815 -7.4109 -7.4109 -7.4051 -7.4051 -7.1682 -7.1682 -7.1600 -7.1600 -7.1210 -7.1210 -7.1122 -7.1122 -4.5105 -4.5105 -4.4607 -4.4607 0.9854 0.9854 1.0796 1.0796 1.5322 1.5322 1.5456 1.5456 1.9305 1.9305 1.9803 1.9803 2.8055 2.8055 2.8159 2.8159 3.0969 3.0969 3.1577 3.1577 3.5785 3.5785 3.5835 3.5835 4.8717 4.8717 4.9385 4.9385 5.4707 5.4707 5.6238 5.6238 8.3637 8.3637 8.5654 8.5654 8.8179 8.8179 9.1988 9.1988 12.0946 12.0946 k = 0.5000 0.2887 0.1262 ( 5642 PWs) bands (ev): -23.6823 -23.6823 -23.6815 -23.6815 -7.4114 -7.4114 -7.4049 -7.4049 -7.1688 -7.1688 -7.1596 -7.1596 -7.1212 -7.1212 -7.1114 -7.1114 -4.5134 -4.5134 -4.4577 -4.4577 0.9799 0.9799 1.0852 1.0852 1.5314 1.5314 1.5463 1.5463 1.9282 1.9282 1.9839 1.9839 2.8048 2.8048 2.8165 2.8165 3.0932 3.0932 3.1613 3.1613 3.5781 3.5781 3.5837 3.5837 4.8678 4.8678 4.9424 4.9424 5.4576 5.4576 5.6274 5.6274 8.3464 8.3464 8.5547 8.5547 8.8405 8.8405 9.2801 9.2801 11.9757 11.9757 k = 0.5000 0.2887 0.1122 ( 5638 PWs) bands (ev): -23.6823 -23.6823 -23.6815 -23.6815 -7.4118 -7.4118 -7.4047 -7.4047 -7.1693 -7.1693 -7.1594 -7.1594 -7.1214 -7.1214 -7.1107 -7.1107 -4.5161 -4.5161 -4.4551 -4.4551 0.9749 0.9749 1.0905 1.0905 1.5306 1.5306 1.5470 1.5470 1.9261 1.9261 1.9874 1.9874 2.8041 2.8041 2.8170 2.8170 3.0898 3.0898 3.1646 3.1646 3.5778 3.5778 3.5837 3.5837 4.8643 4.8643 4.9461 4.9461 5.4452 5.4452 5.6301 5.6301 8.3315 8.3315 8.5461 8.5461 8.8615 8.8615 9.3641 9.3641 11.8501 11.8501 k = 0.5000 0.2887 0.0982 ( 5638 PWs) bands (ev): -23.6823 -23.6823 -23.6814 -23.6814 -7.4122 -7.4122 -7.4046 -7.4046 -7.1698 -7.1698 -7.1591 -7.1591 -7.1215 -7.1215 -7.1101 -7.1101 -4.5186 -4.5186 -4.4527 -4.4527 0.9704 0.9704 1.0952 1.0952 1.5299 1.5299 1.5477 1.5477 1.9243 1.9243 1.9905 1.9905 2.8035 2.8035 2.8174 2.8174 3.0866 3.0866 3.1676 3.1676 3.5776 3.5776 3.5838 3.5838 4.8610 4.8610 4.9494 4.9494 5.4338 5.4338 5.6320 5.6320 8.3189 8.3189 8.5396 8.5396 8.8805 8.8805 9.4494 9.4494 11.7261 11.7261 k = 0.5000 0.2887 0.0841 ( 5634 PWs) bands (ev): -23.6823 -23.6823 -23.6814 -23.6814 -7.4125 -7.4125 -7.4044 -7.4044 -7.1702 -7.1702 -7.1589 -7.1589 -7.1216 -7.1216 -7.1095 -7.1095 -4.5208 -4.5208 -4.4505 -4.4505 0.9665 0.9665 1.0994 1.0994 1.5293 1.5293 1.5483 1.5483 1.9227 1.9227 1.9934 1.9934 2.8029 2.8029 2.8178 2.8178 3.0839 3.0839 3.1703 3.1703 3.5773 3.5773 3.5838 3.5838 4.8582 4.8582 4.9524 4.9524 5.4236 5.4236 5.6332 5.6332 8.3083 8.3083 8.5349 8.5349 8.8972 8.8972 9.5344 9.5344 11.6068 11.6068 k = 0.5000 0.2887 0.0701 ( 5644 PWs) bands (ev): -23.6824 -23.6824 -23.6814 -23.6814 -7.4129 -7.4129 -7.4043 -7.4043 -7.1705 -7.1705 -7.1587 -7.1587 -7.1216 -7.1216 -7.1090 -7.1090 -4.5227 -4.5227 -4.4487 -4.4487 0.9630 0.9630 1.1030 1.1030 1.5288 1.5288 1.5487 1.5487 1.9213 1.9213 1.9959 1.9959 2.8024 2.8024 2.8181 2.8181 3.0815 3.0815 3.1726 3.1726 3.5772 3.5772 3.5837 3.5837 4.8557 4.8557 4.9549 4.9549 5.4147 5.4147 5.6339 5.6339 8.2996 8.2996 8.5319 8.5319 8.9114 8.9114 9.6170 9.6170 11.4947 11.4947 k = 0.5000 0.2887 0.0561 ( 5642 PWs) bands (ev): -23.6824 -23.6824 -23.6814 -23.6814 -7.4131 -7.4131 -7.4042 -7.4042 -7.1708 -7.1708 -7.1586 -7.1586 -7.1217 -7.1217 -7.1085 -7.1085 -4.5242 -4.5242 -4.4472 -4.4472 0.9602 0.9602 1.1060 1.1060 1.5284 1.5284 1.5492 1.5492 1.9202 1.9202 1.9980 1.9980 2.8020 2.8020 2.8184 2.8184 3.0795 3.0795 3.1745 3.1745 3.5770 3.5770 3.5837 3.5837 4.8537 4.8537 4.9570 4.9570 5.4072 5.4072 5.6342 5.6342 8.2926 8.2926 8.5301 8.5301 8.9232 8.9232 9.6944 9.6944 11.3930 11.3930 k = 0.5000 0.2887 0.0421 ( 5648 PWs) bands (ev): -23.6824 -23.6824 -23.6813 -23.6813 -7.4133 -7.4133 -7.4042 -7.4042 -7.1711 -7.1711 -7.1585 -7.1585 -7.1217 -7.1217 -7.1082 -7.1082 -4.5255 -4.5255 -4.4460 -4.4460 0.9580 0.9580 1.1083 1.1083 1.5280 1.5280 1.5495 1.5495 1.9194 1.9194 1.9997 1.9997 2.8017 2.8017 2.8186 2.8186 3.0779 3.0779 3.1760 3.1760 3.5769 3.5769 3.5837 3.5837 4.8521 4.8521 4.9586 4.9586 5.4013 5.4013 5.6344 5.6344 8.2873 8.2873 8.5292 8.5292 8.9323 8.9323 9.7627 9.7627 11.3056 11.3056 k = 0.5000 0.2887 0.0280 ( 5654 PWs) bands (ev): -23.6824 -23.6824 -23.6814 -23.6814 -7.4135 -7.4135 -7.4041 -7.4041 -7.1713 -7.1713 -7.1584 -7.1584 -7.1217 -7.1217 -7.1079 -7.1079 -4.5264 -4.5264 -4.4451 -4.4451 0.9564 0.9564 1.1100 1.1100 1.5278 1.5278 1.5497 1.5497 1.9188 1.9188 2.0009 2.0009 2.8014 2.8014 2.8188 2.8188 3.0767 3.0767 3.1771 3.1771 3.5769 3.5769 3.5836 3.5836 4.8510 4.8510 4.9598 4.9598 5.3969 5.3969 5.6344 5.6344 8.2835 8.2835 8.5289 8.5289 8.9389 8.9389 9.8173 9.8173 11.2373 11.2373 k = 0.5000 0.2887 0.0140 ( 5662 PWs) bands (ev): -23.6824 -23.6824 -23.6814 -23.6814 -7.4136 -7.4136 -7.4041 -7.4041 -7.1714 -7.1714 -7.1584 -7.1584 -7.1217 -7.1217 -7.1078 -7.1078 -4.5269 -4.5269 -4.4446 -4.4446 0.9554 0.9554 1.1111 1.1111 1.5276 1.5276 1.5498 1.5498 1.9184 1.9184 2.0017 2.0017 2.8013 2.8013 2.8189 2.8189 3.0760 3.0760 3.1777 3.1777 3.5768 3.5768 3.5836 3.5836 4.8503 4.8503 4.9606 4.9606 5.3943 5.3943 5.6343 5.6343 8.2812 8.2812 8.5288 8.5288 8.9428 8.9428 9.8530 9.8530 11.1934 11.1934 k = 0.5000 0.2887-0.0000 ( 5650 PWs) bands (ev): -23.6825 -23.6825 -23.6813 -23.6813 -7.4136 -7.4136 -7.4041 -7.4041 -7.1714 -7.1714 -7.1584 -7.1584 -7.1217 -7.1217 -7.1077 -7.1077 -4.5271 -4.5271 -4.4444 -4.4444 0.9551 0.9551 1.1114 1.1114 1.5276 1.5276 1.5499 1.5499 1.9183 1.9183 2.0019 2.0019 2.8012 2.8012 2.8189 2.8189 3.0758 3.0758 3.1779 3.1779 3.5768 3.5768 3.5836 3.5836 4.8501 4.8501 4.9608 4.9608 5.3935 5.3935 5.6343 5.6343 8.2805 8.2805 8.5288 8.5288 8.9441 8.9441 9.8654 9.8654 11.1782 11.1782 k = 0.3333 0.5774-0.0000 ( 5685 PWs) bands (ev): -23.6821 -23.6821 -23.6809 -23.6809 -7.4099 -7.4099 -7.4040 -7.4040 -7.1698 -7.1698 -7.1440 -7.1440 -7.1420 -7.1420 -7.1218 -7.1218 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8472 1.8472 2.1414 2.1414 2.1962 2.1962 2.6050 2.6050 2.7260 2.7260 3.2273 3.2273 3.4322 3.4322 3.4396 3.4396 3.6029 3.6029 3.6112 3.6112 3.7209 3.7209 5.6169 5.6169 5.7974 5.7974 8.9427 8.9427 8.9880 8.9880 10.1265 10.1265 10.4113 10.4113 11.4440 11.4440 k = 0.3333 0.5774 0.0140 ( 5697 PWs) bands (ev): -23.6821 -23.6821 -23.6810 -23.6810 -7.4099 -7.4099 -7.4040 -7.4040 -7.1697 -7.1697 -7.1440 -7.1440 -7.1421 -7.1421 -7.1218 -7.1218 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8471 1.8471 2.1414 2.1414 2.1961 2.1961 2.6050 2.6050 2.7260 2.7260 3.2280 3.2280 3.4321 3.4321 3.4395 3.4395 3.6028 3.6028 3.6107 3.6107 3.7209 3.7209 5.6175 5.6175 5.7980 5.7980 8.9395 8.9395 8.9847 8.9847 10.1288 10.1288 10.4141 10.4141 11.4467 11.4467 k = 0.3333 0.5774 0.0280 ( 5691 PWs) bands (ev): -23.6820 -23.6820 -23.6810 -23.6810 -7.4099 -7.4099 -7.4040 -7.4040 -7.1696 -7.1696 -7.1439 -7.1439 -7.1423 -7.1423 -7.1220 -7.1220 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8471 1.8471 2.1416 2.1416 2.1957 2.1957 2.6050 2.6050 2.7260 2.7260 3.2298 3.2298 3.4320 3.4320 3.4392 3.4392 3.6024 3.6024 3.6093 3.6093 3.7209 3.7209 5.6192 5.6192 5.7997 5.7997 8.9301 8.9301 8.9749 8.9749 10.1355 10.1355 10.4223 10.4223 11.4547 11.4547 k = 0.3333 0.5774 0.0421 ( 5688 PWs) bands (ev): -23.6820 -23.6820 -23.6810 -23.6810 -7.4099 -7.4099 -7.4040 -7.4040 -7.1693 -7.1693 -7.1437 -7.1437 -7.1425 -7.1425 -7.1222 -7.1222 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8470 1.8470 2.1418 2.1418 2.1952 2.1952 2.6049 2.6049 2.7260 2.7260 3.2330 3.2330 3.4317 3.4317 3.4387 3.4387 3.6015 3.6015 3.6074 3.6074 3.7208 3.7208 5.6220 5.6220 5.8025 5.8025 8.9150 8.9150 8.9592 8.9592 10.1461 10.1461 10.4354 10.4354 11.4679 11.4679 k = 0.3333 0.5774 0.0561 ( 5682 PWs) bands (ev): -23.6820 -23.6820 -23.6810 -23.6810 -7.4099 -7.4099 -7.4039 -7.4039 -7.1690 -7.1690 -7.1434 -7.1434 -7.1428 -7.1428 -7.1226 -7.1226 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8468 1.8468 2.1422 2.1422 2.1945 2.1945 2.6048 2.6048 2.7261 2.7261 3.2373 3.2373 3.4314 3.4314 3.4380 3.4380 3.5993 3.5993 3.6056 3.6056 3.7208 3.7208 5.6257 5.6257 5.8062 5.8062 8.8951 8.8951 8.9384 8.9384 10.1599 10.1599 10.4526 10.4526 11.4864 11.4864 k = 0.3333 0.5774 0.0701 ( 5688 PWs) bands (ev): -23.6820 -23.6820 -23.6810 -23.6810 -7.4098 -7.4098 -7.4038 -7.4038 -7.1686 -7.1686 -7.1432 -7.1432 -7.1431 -7.1431 -7.1230 -7.1230 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8466 1.8466 2.1426 2.1426 2.1936 2.1936 2.6047 2.6047 2.7261 2.7261 3.2429 3.2429 3.4310 3.4310 3.4369 3.4369 3.5954 3.5954 3.6046 3.6046 3.7208 3.7208 5.6303 5.6303 5.8108 5.8108 8.8712 8.8712 8.9136 8.9136 10.1761 10.1761 10.4729 10.4729 11.5101 11.5101 k = 0.3333 0.5774 0.0841 ( 5673 PWs) bands (ev): -23.6819 -23.6819 -23.6810 -23.6810 -7.4098 -7.4098 -7.4037 -7.4037 -7.1681 -7.1681 -7.1437 -7.1437 -7.1427 -7.1427 -7.1236 -7.1236 -4.4309 -4.4309 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8464 1.8464 2.1431 2.1431 2.1925 2.1925 2.6046 2.6046 2.7262 2.7262 3.2495 3.2495 3.4306 3.4306 3.4355 3.4355 3.5902 3.5902 3.6041 3.6041 3.7207 3.7207 5.6357 5.6357 5.8162 5.8162 8.8446 8.8446 8.8858 8.8858 10.1940 10.1940 10.4954 10.4954 11.5388 11.5388 k = 0.3333 0.5774 0.0982 ( 5673 PWs) bands (ev): -23.6819 -23.6819 -23.6811 -23.6811 -7.4098 -7.4098 -7.4037 -7.4037 -7.1676 -7.1676 -7.1443 -7.1443 -7.1422 -7.1422 -7.1242 -7.1242 -4.4308 -4.4308 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8462 1.8462 2.1437 2.1437 2.1913 2.1913 2.6045 2.6045 2.7262 2.7262 3.2572 3.2572 3.4301 3.4301 3.4336 3.4336 3.5842 3.5842 3.6037 3.6037 3.7206 3.7206 5.6416 5.6416 5.8221 5.8221 8.8163 8.8163 8.8562 8.8562 10.2125 10.2125 10.5190 10.5190 11.5726 11.5726 k = 0.3333 0.5774 0.1122 ( 5682 PWs) bands (ev): -23.6819 -23.6819 -23.6811 -23.6811 -7.4097 -7.4097 -7.4036 -7.4036 -7.1670 -7.1670 -7.1449 -7.1449 -7.1416 -7.1416 -7.1249 -7.1249 -4.4308 -4.4308 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8460 1.8460 2.1443 2.1443 2.1901 2.1901 2.6043 2.6043 2.7263 2.7263 3.2659 3.2659 3.4296 3.4296 3.4312 3.4312 3.5777 3.5777 3.6034 3.6034 3.7206 3.7206 5.6479 5.6479 5.8284 5.8284 8.7873 8.7873 8.8259 8.8259 10.2311 10.2311 10.5429 10.5429 11.6113 11.6113 k = 0.3333 0.5774 0.1262 ( 5682 PWs) bands (ev): -23.6819 -23.6819 -23.6811 -23.6811 -7.4097 -7.4097 -7.4035 -7.4035 -7.1663 -7.1663 -7.1456 -7.1456 -7.1410 -7.1410 -7.1257 -7.1257 -4.4308 -4.4308 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8458 1.8458 2.1450 2.1450 2.1887 2.1887 2.6042 2.6042 2.7264 2.7264 3.2755 3.2755 3.4281 3.4281 3.4290 3.4290 3.5710 3.5710 3.6031 3.6031 3.7205 3.7205 5.6543 5.6543 5.8349 5.8349 8.7587 8.7587 8.7959 8.7959 10.2490 10.2490 10.5660 10.5660 11.6548 11.6548 k = 0.3333 0.5774 0.1402 ( 5673 PWs) bands (ev): -23.6818 -23.6818 -23.6812 -23.6812 -7.4097 -7.4097 -7.4034 -7.4034 -7.1656 -7.1656 -7.1463 -7.1463 -7.1403 -7.1403 -7.1265 -7.1265 -4.4308 -4.4308 -4.4075 -4.4075 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8455 1.8455 2.1457 2.1457 2.1874 2.1874 2.6040 2.6040 2.7264 2.7264 3.2858 3.2858 3.4242 3.4242 3.4285 3.4285 3.5642 3.5642 3.6028 3.6028 3.7204 3.7204 5.6606 5.6606 5.8413 5.8413 8.7313 8.7313 8.7672 8.7672 10.2658 10.2658 10.5879 10.5879 11.7029 11.7029 k = 0.3333 0.5774 0.1543 ( 5661 PWs) bands (ev): -23.6817 -23.6817 -23.6812 -23.6812 -7.4096 -7.4096 -7.4033 -7.4033 -7.1649 -7.1649 -7.1470 -7.1470 -7.1396 -7.1396 -7.1274 -7.1274 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8453 1.8453 2.1464 2.1464 2.1860 2.1860 2.6039 2.6039 2.7265 2.7265 3.2968 3.2968 3.4194 3.4194 3.4280 3.4280 3.5577 3.5577 3.6026 3.6026 3.7204 3.7204 5.6667 5.6667 5.8474 5.8474 8.7059 8.7059 8.7406 8.7406 10.2810 10.2810 10.6078 10.6078 11.7554 11.7554 k = 0.3333 0.5774 0.1683 ( 5649 PWs) bands (ev): -23.6817 -23.6817 -23.6812 -23.6812 -7.4096 -7.4096 -7.4032 -7.4032 -7.1642 -7.1642 -7.1477 -7.1477 -7.1388 -7.1388 -7.1283 -7.1283 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8451 1.8451 2.1471 2.1471 2.1848 2.1848 2.6038 2.6038 2.7266 2.7266 3.3083 3.3083 3.4135 3.4135 3.4276 3.4276 3.5518 3.5518 3.6024 3.6024 3.7203 3.7203 5.6723 5.6723 5.8531 5.8531 8.6833 8.6833 8.7168 8.7168 10.2943 10.2943 10.6253 10.6253 11.8122 11.8122 k = 0.3333 0.5774 0.1823 ( 5667 PWs) bands (ev): -23.6816 -23.6816 -23.6813 -23.6813 -7.4096 -7.4096 -7.4031 -7.4031 -7.1635 -7.1635 -7.1483 -7.1483 -7.1380 -7.1380 -7.1292 -7.1292 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8449 1.8449 2.1478 2.1478 2.1837 2.1837 2.6037 2.6037 2.7266 2.7266 3.3202 3.3202 3.4065 3.4065 3.4272 3.4272 3.5467 3.5467 3.6022 3.6022 3.7203 3.7203 5.6771 5.6771 5.8580 5.8580 8.6639 8.6639 8.6965 8.6965 10.3055 10.3055 10.6401 10.6401 11.8729 11.8729 k = 0.3333 0.5774 0.1963 ( 5673 PWs) bands (ev): -23.6816 -23.6816 -23.6814 -23.6814 -7.4096 -7.4096 -7.4031 -7.4031 -7.1630 -7.1630 -7.1489 -7.1489 -7.1372 -7.1372 -7.1301 -7.1301 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8448 1.8448 2.1483 2.1483 2.1827 2.1827 2.6036 2.6036 2.7267 2.7267 3.3323 3.3323 3.3984 3.3984 3.4269 3.4269 3.5425 3.5425 3.6020 3.6020 3.7202 3.7202 5.6811 5.6811 5.8621 5.8621 8.6484 8.6484 8.6801 8.6801 10.3144 10.3144 10.6518 10.6518 11.9371 11.9371 k = 0.3333 0.5774 0.2104 ( 5673 PWs) bands (ev): -23.6816 -23.6816 -23.6814 -23.6814 -7.4095 -7.4095 -7.4031 -7.4031 -7.1625 -7.1625 -7.1494 -7.1494 -7.1364 -7.1364 -7.1310 -7.1310 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8447 1.8447 2.1488 2.1488 2.1820 2.1820 2.6035 2.6035 2.7267 2.7267 3.3444 3.3444 3.3892 3.3892 3.4266 3.4266 3.5394 3.5394 3.6019 3.6019 3.7202 3.7202 5.6841 5.6841 5.8651 5.8651 8.6370 8.6370 8.6682 8.6682 10.3207 10.3207 10.6604 10.6604 12.0036 12.0036 k = 0.3333 0.5774 0.2244 ( 5673 PWs) bands (ev): -23.6815 -23.6815 -23.6814 -23.6814 -7.4095 -7.4095 -7.4030 -7.4030 -7.1622 -7.1622 -7.1497 -7.1497 -7.1358 -7.1358 -7.1316 -7.1316 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8446 1.8446 2.1490 2.1490 2.1816 2.1816 2.6035 2.6035 2.7267 2.7267 3.3562 3.3562 3.3792 3.3792 3.4265 3.4265 3.5376 3.5376 3.6019 3.6019 3.7202 3.7202 5.6859 5.6859 5.8669 5.8669 8.6301 8.6301 8.6609 8.6609 10.3246 10.3246 10.6655 10.6655 12.0690 12.0690 k = 0.3333 0.5774 0.2384 ( 5682 PWs) bands (ev): -23.6815 -23.6815 -23.6815 -23.6815 -7.4095 -7.4095 -7.4030 -7.4030 -7.1621 -7.1621 -7.1498 -7.1498 -7.1355 -7.1355 -7.1319 -7.1319 -4.4308 -4.4308 -4.4074 -4.4074 0.9168 0.9168 1.1090 1.1090 1.4650 1.4650 1.8446 1.8446 2.1491 2.1491 2.1814 2.1814 2.6034 2.6034 2.7267 2.7267 3.3658 3.3658 3.3701 3.3701 3.4264 3.4264 3.5370 3.5370 3.6019 3.6019 3.7202 3.7202 5.6865 5.6865 5.8675 5.8675 8.6277 8.6277 8.6584 8.6584 10.3259 10.3259 10.6673 10.6673 12.1085 12.1085 Writing output data file KTeAu.save init_run : 0.61s CPU 1.24s WALL ( 1 calls) electrons : 315.99s CPU 319.71s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.44s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 315.98s CPU 319.70s 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 : 0.22s CPU 0.32s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.10s WALL ( 278 calls) cegterg : 296.93s CPU 300.02s WALL ( 733 calls) Called by sum_band: Called by *egterg: h_psi : 161.24s CPU 163.74s WALL ( 12617 calls) s_psi : 13.47s CPU 13.36s WALL ( 12617 calls) g_psi : 0.44s CPU 0.47s WALL ( 11606 calls) cdiaghg : 99.98s CPU 100.73s WALL ( 11884 calls) cegterg:over : 13.51s CPU 13.51s WALL ( 11606 calls) cegterg:upda : 12.67s CPU 12.93s WALL ( 11606 calls) cegterg:last : 5.60s CPU 5.62s WALL ( 1567 calls) cdiaghg:chol : 5.73s CPU 5.78s WALL ( 11884 calls) cdiaghg:inve : 3.87s CPU 3.97s WALL ( 11884 calls) cdiaghg:para : 6.19s CPU 6.16s WALL ( 23768 calls) Called by h_psi: h_psi:vloc : 132.18s CPU 134.46s WALL ( 12617 calls) h_psi:vnl : 28.54s CPU 28.78s WALL ( 12617 calls) add_vuspsi : 15.51s CPU 15.65s WALL ( 12617 calls) General routines calbec : 13.00s CPU 13.10s WALL ( 12617 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 118.80s CPU 120.99s WALL ( 1156952 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.28s WALL ( 556 calls) Parallel routines fft_scatter : 37.92s CPU 38.30s WALL ( 1156975 calls) PWSCF : 5m35.76s CPU 5m50.80s WALL This run was terminated on: 13:39: 0 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=