Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:19:55 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: ./In2Se3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D 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 23 18 5 1331 876 141 Max 24 19 6 1346 888 148 Sum 847 649 199 48211 31729 5183 bravais-lattice index = 14 lattice parameter (alat) = 7.5589 a.u. unit-cell volume = 893.9331 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.558904 celldm(2)= 1.000000 celldm(3)= 2.390000 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 2.390000 ) 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 0.418410 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Se 6.00 78.96000 Se( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0032051 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0032051 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0032051 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0032051 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0032051 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0032051 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0032051 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0032051 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0032051 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0032051 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0032051 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0032051 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0032051 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0032051 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0032051 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0032051 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0032051 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0032051 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0032051 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0032051 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0032051 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0032051 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0032051 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0032051 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0032051 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0032051 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0032051 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0032051 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0032051 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0032051 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0032051 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0032051 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0032051 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0032051 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0032051 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0032051 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0032051 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0032051 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0032051 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0032051 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0032051 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0032051 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0032051 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0032051 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0032051 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0032051 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0032051 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0032051 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0032051 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0032051 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0032051 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0032051 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0032051 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0032051 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0032051 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0032051 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0032051 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0032051 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0032051 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.0123062), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.0246124), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.0369185), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.0492247), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.0615309), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.0738371), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.0861432), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.0984494), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.1107556), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.1230618), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.1353680), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.1476741), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.1599803), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.1722865), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.1845927), wk = 0.0032051 k( 146) = ( 0.0000000 0.0000000 0.1968988), wk = 0.0032051 k( 147) = ( 0.0000000 0.0000000 0.2092050), wk = 0.0032051 k( 148) = ( 0.0000000 0.0000000 0.2092050), wk = 0.0032051 k( 149) = ( 0.0108696 0.0062755 0.2092050), wk = 0.0032051 k( 150) = ( 0.0217391 0.0125511 0.2092050), wk = 0.0032051 k( 151) = ( 0.0326087 0.0188266 0.2092050), wk = 0.0032051 k( 152) = ( 0.0434783 0.0251022 0.2092050), wk = 0.0032051 k( 153) = ( 0.0543478 0.0313777 0.2092050), wk = 0.0032051 k( 154) = ( 0.0652174 0.0376533 0.2092050), wk = 0.0032051 k( 155) = ( 0.0760870 0.0439288 0.2092050), wk = 0.0032051 k( 156) = ( 0.0869565 0.0502044 0.2092050), wk = 0.0032051 k( 157) = ( 0.0978261 0.0564799 0.2092050), wk = 0.0032051 k( 158) = ( 0.1086957 0.0627555 0.2092050), wk = 0.0032051 k( 159) = ( 0.1195652 0.0690310 0.2092050), wk = 0.0032051 k( 160) = ( 0.1304348 0.0753066 0.2092050), wk = 0.0032051 k( 161) = ( 0.1413043 0.0815821 0.2092050), wk = 0.0032051 k( 162) = ( 0.1521739 0.0878576 0.2092050), wk = 0.0032051 k( 163) = ( 0.1630435 0.0941332 0.2092050), wk = 0.0032051 k( 164) = ( 0.1739130 0.1004087 0.2092050), wk = 0.0032051 k( 165) = ( 0.1847826 0.1066843 0.2092050), wk = 0.0032051 k( 166) = ( 0.1956522 0.1129598 0.2092050), wk = 0.0032051 k( 167) = ( 0.2065217 0.1192354 0.2092050), wk = 0.0032051 k( 168) = ( 0.2173913 0.1255109 0.2092050), wk = 0.0032051 k( 169) = ( 0.2282609 0.1317865 0.2092050), wk = 0.0032051 k( 170) = ( 0.2391304 0.1380620 0.2092050), wk = 0.0032051 k( 171) = ( 0.2500000 0.1443376 0.2092050), wk = 0.0032051 k( 172) = ( 0.2608696 0.1506131 0.2092050), wk = 0.0032051 k( 173) = ( 0.2717391 0.1568887 0.2092050), wk = 0.0032051 k( 174) = ( 0.2826087 0.1631642 0.2092050), wk = 0.0032051 k( 175) = ( 0.2934783 0.1694398 0.2092050), wk = 0.0032051 k( 176) = ( 0.3043478 0.1757153 0.2092050), wk = 0.0032051 k( 177) = ( 0.3152174 0.1819908 0.2092050), wk = 0.0032051 k( 178) = ( 0.3260870 0.1882664 0.2092050), wk = 0.0032051 k( 179) = ( 0.3369565 0.1945419 0.2092050), wk = 0.0032051 k( 180) = ( 0.3478261 0.2008175 0.2092050), wk = 0.0032051 k( 181) = ( 0.3586956 0.2070930 0.2092050), wk = 0.0032051 k( 182) = ( 0.3695652 0.2133686 0.2092050), wk = 0.0032051 k( 183) = ( 0.3804348 0.2196441 0.2092050), wk = 0.0032051 k( 184) = ( 0.3913044 0.2259197 0.2092050), wk = 0.0032051 k( 185) = ( 0.4021739 0.2321952 0.2092050), wk = 0.0032051 k( 186) = ( 0.4130435 0.2384708 0.2092050), wk = 0.0032051 k( 187) = ( 0.4239130 0.2447463 0.2092050), wk = 0.0032051 k( 188) = ( 0.4347826 0.2510219 0.2092050), wk = 0.0032051 k( 189) = ( 0.4456522 0.2572974 0.2092050), wk = 0.0032051 k( 190) = ( 0.4565217 0.2635729 0.2092050), wk = 0.0032051 k( 191) = ( 0.4673913 0.2698485 0.2092050), wk = 0.0032051 k( 192) = ( 0.4782609 0.2761240 0.2092050), wk = 0.0032051 k( 193) = ( 0.4891304 0.2823996 0.2092050), wk = 0.0032051 k( 194) = ( 0.5000000 0.2886751 0.2092050), wk = 0.0032051 k( 195) = ( 0.5000000 0.2886751 0.2092050), wk = 0.0032051 k( 196) = ( 0.4938272 0.2993668 0.2092050), wk = 0.0032051 k( 197) = ( 0.4876543 0.3100585 0.2092050), wk = 0.0032051 k( 198) = ( 0.4814815 0.3207502 0.2092050), wk = 0.0032051 k( 199) = ( 0.4753086 0.3314418 0.2092050), wk = 0.0032051 k( 200) = ( 0.4691358 0.3421335 0.2092050), wk = 0.0032051 k( 201) = ( 0.4629630 0.3528252 0.2092050), wk = 0.0032051 k( 202) = ( 0.4567901 0.3635168 0.2092050), wk = 0.0032051 k( 203) = ( 0.4506173 0.3742085 0.2092050), wk = 0.0032051 k( 204) = ( 0.4444444 0.3849002 0.2092050), wk = 0.0032051 k( 205) = ( 0.4382716 0.3955918 0.2092050), wk = 0.0032051 k( 206) = ( 0.4320988 0.4062835 0.2092050), wk = 0.0032051 k( 207) = ( 0.4259259 0.4169752 0.2092050), wk = 0.0032051 k( 208) = ( 0.4197531 0.4276669 0.2092050), wk = 0.0032051 k( 209) = ( 0.4135802 0.4383585 0.2092050), wk = 0.0032051 k( 210) = ( 0.4074074 0.4490502 0.2092050), wk = 0.0032051 k( 211) = ( 0.4012346 0.4597419 0.2092050), wk = 0.0032051 k( 212) = ( 0.3950617 0.4704335 0.2092050), wk = 0.0032051 k( 213) = ( 0.3888889 0.4811252 0.2092050), wk = 0.0032051 k( 214) = ( 0.3827160 0.4918169 0.2092050), wk = 0.0032051 k( 215) = ( 0.3765432 0.5025086 0.2092050), wk = 0.0032051 k( 216) = ( 0.3703704 0.5132002 0.2092050), wk = 0.0032051 k( 217) = ( 0.3641975 0.5238919 0.2092050), wk = 0.0032051 k( 218) = ( 0.3580247 0.5345836 0.2092050), wk = 0.0032051 k( 219) = ( 0.3518519 0.5452753 0.2092050), wk = 0.0032051 k( 220) = ( 0.3456790 0.5559669 0.2092050), wk = 0.0032051 k( 221) = ( 0.3395062 0.5666586 0.2092050), wk = 0.0032051 k( 222) = ( 0.3333333 0.5773503 0.2092050), wk = 0.0032051 k( 223) = ( 0.3333333 0.5773503 0.2092050), wk = 0.0032051 k( 224) = ( 0.3270440 0.5664569 0.2092050), wk = 0.0032051 k( 225) = ( 0.3207547 0.5555635 0.2092050), wk = 0.0032051 k( 226) = ( 0.3144654 0.5446701 0.2092050), wk = 0.0032051 k( 227) = ( 0.3081761 0.5337767 0.2092050), wk = 0.0032051 k( 228) = ( 0.3018868 0.5228833 0.2092050), wk = 0.0032051 k( 229) = ( 0.2955975 0.5119899 0.2092050), wk = 0.0032051 k( 230) = ( 0.2893082 0.5010965 0.2092050), wk = 0.0032051 k( 231) = ( 0.2830189 0.4902031 0.2092050), wk = 0.0032051 k( 232) = ( 0.2767296 0.4793097 0.2092050), wk = 0.0032051 k( 233) = ( 0.2704402 0.4684163 0.2092050), wk = 0.0032051 k( 234) = ( 0.2641509 0.4575228 0.2092050), wk = 0.0032051 k( 235) = ( 0.2578616 0.4466295 0.2092050), wk = 0.0032051 k( 236) = ( 0.2515723 0.4357361 0.2092050), wk = 0.0032051 k( 237) = ( 0.2452830 0.4248427 0.2092050), wk = 0.0032051 k( 238) = ( 0.2389937 0.4139492 0.2092050), wk = 0.0032051 k( 239) = ( 0.2327044 0.4030558 0.2092050), wk = 0.0032051 k( 240) = ( 0.2264151 0.3921624 0.2092050), wk = 0.0032051 k( 241) = ( 0.2201258 0.3812691 0.2092050), wk = 0.0032051 k( 242) = ( 0.2138365 0.3703756 0.2092050), wk = 0.0032051 k( 243) = ( 0.2075472 0.3594822 0.2092050), wk = 0.0032051 k( 244) = ( 0.2012579 0.3485888 0.2092050), wk = 0.0032051 k( 245) = ( 0.1949685 0.3376954 0.2092050), wk = 0.0032051 k( 246) = ( 0.1886792 0.3268020 0.2092050), wk = 0.0032051 k( 247) = ( 0.1823899 0.3159086 0.2092050), wk = 0.0032051 k( 248) = ( 0.1761006 0.3050152 0.2092050), wk = 0.0032051 k( 249) = ( 0.1698113 0.2941218 0.2092050), wk = 0.0032051 k( 250) = ( 0.1635220 0.2832284 0.2092050), wk = 0.0032051 k( 251) = ( 0.1572327 0.2723350 0.2092050), wk = 0.0032051 k( 252) = ( 0.1509434 0.2614416 0.2092050), wk = 0.0032051 k( 253) = ( 0.1446541 0.2505482 0.2092050), wk = 0.0032051 k( 254) = ( 0.1383648 0.2396548 0.2092050), wk = 0.0032051 k( 255) = ( 0.1320755 0.2287614 0.2092050), wk = 0.0032051 k( 256) = ( 0.1257862 0.2178680 0.2092050), wk = 0.0032051 k( 257) = ( 0.1194969 0.2069746 0.2092050), wk = 0.0032051 k( 258) = ( 0.1132076 0.1960812 0.2092050), wk = 0.0032051 k( 259) = ( 0.1069182 0.1851878 0.2092050), wk = 0.0032051 k( 260) = ( 0.1006289 0.1742944 0.2092050), wk = 0.0032051 k( 261) = ( 0.0943396 0.1634010 0.2092050), wk = 0.0032051 k( 262) = ( 0.0880503 0.1525076 0.2092050), wk = 0.0032051 k( 263) = ( 0.0817610 0.1416142 0.2092050), wk = 0.0032051 k( 264) = ( 0.0754717 0.1307208 0.2092050), wk = 0.0032051 k( 265) = ( 0.0691824 0.1198274 0.2092050), wk = 0.0032051 k( 266) = ( 0.0628931 0.1089340 0.2092050), wk = 0.0032051 k( 267) = ( 0.0566038 0.0980406 0.2092050), wk = 0.0032051 k( 268) = ( 0.0503145 0.0871472 0.2092050), wk = 0.0032051 k( 269) = ( 0.0440252 0.0762538 0.2092050), wk = 0.0032051 k( 270) = ( 0.0377359 0.0653604 0.2092050), wk = 0.0032051 k( 271) = ( 0.0314465 0.0544670 0.2092050), wk = 0.0032051 k( 272) = ( 0.0251572 0.0435736 0.2092050), wk = 0.0032051 k( 273) = ( 0.0188679 0.0326802 0.2092050), wk = 0.0032051 k( 274) = ( 0.0125786 0.0217868 0.2092050), wk = 0.0032051 k( 275) = ( 0.0062893 0.0108934 0.2092050), wk = 0.0032051 k( 276) = ( 0.0000000 0.0000000 0.2092050), wk = 0.0032051 k( 277) = ( 0.5000000 0.2886751 0.2092050), wk = 0.0032051 k( 278) = ( 0.5000000 0.2886751 0.1968988), wk = 0.0032051 k( 279) = ( 0.5000000 0.2886751 0.1845927), wk = 0.0032051 k( 280) = ( 0.5000000 0.2886751 0.1722865), wk = 0.0032051 k( 281) = ( 0.5000000 0.2886751 0.1599803), wk = 0.0032051 k( 282) = ( 0.5000000 0.2886751 0.1476741), wk = 0.0032051 k( 283) = ( 0.5000000 0.2886751 0.1353680), wk = 0.0032051 k( 284) = ( 0.5000000 0.2886751 0.1230618), wk = 0.0032051 k( 285) = ( 0.5000000 0.2886751 0.1107556), wk = 0.0032051 k( 286) = ( 0.5000000 0.2886751 0.0984494), wk = 0.0032051 k( 287) = ( 0.5000000 0.2886751 0.0861432), wk = 0.0032051 k( 288) = ( 0.5000000 0.2886751 0.0738371), wk = 0.0032051 k( 289) = ( 0.5000000 0.2886751 0.0615309), wk = 0.0032051 k( 290) = ( 0.5000000 0.2886751 0.0492247), wk = 0.0032051 k( 291) = ( 0.5000000 0.2886751 0.0369185), wk = 0.0032051 k( 292) = ( 0.5000000 0.2886751 0.0246124), wk = 0.0032051 k( 293) = ( 0.5000000 0.2886751 0.0123062), wk = 0.0032051 k( 294) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0032051 k( 295) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0032051 k( 296) = ( 0.3333333 0.5773503 0.0123062), wk = 0.0032051 k( 297) = ( 0.3333333 0.5773503 0.0246124), wk = 0.0032051 k( 298) = ( 0.3333333 0.5773503 0.0369185), wk = 0.0032051 k( 299) = ( 0.3333333 0.5773503 0.0492247), wk = 0.0032051 k( 300) = ( 0.3333333 0.5773503 0.0615309), wk = 0.0032051 k( 301) = ( 0.3333333 0.5773503 0.0738371), wk = 0.0032051 k( 302) = ( 0.3333333 0.5773503 0.0861432), wk = 0.0032051 k( 303) = ( 0.3333333 0.5773503 0.0984494), wk = 0.0032051 k( 304) = ( 0.3333333 0.5773503 0.1107556), wk = 0.0032051 k( 305) = ( 0.3333333 0.5773503 0.1230618), wk = 0.0032051 k( 306) = ( 0.3333333 0.5773503 0.1353680), wk = 0.0032051 k( 307) = ( 0.3333333 0.5773503 0.1476741), wk = 0.0032051 k( 308) = ( 0.3333333 0.5773503 0.1599803), wk = 0.0032051 k( 309) = ( 0.3333333 0.5773503 0.1722865), wk = 0.0032051 k( 310) = ( 0.3333333 0.5773503 0.1845927), wk = 0.0032051 k( 311) = ( 0.3333333 0.5773503 0.1968988), wk = 0.0032051 k( 312) = ( 0.3333333 0.5773503 0.2092050), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0108696 -0.0000000 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0217391 -0.0000000 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0326087 -0.0000000 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0434783 -0.0000000 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0543478 -0.0000000 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0652174 -0.0000000 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0760870 -0.0000000 0.0000000), wk = 0.0032051 k( 9) = ( 0.0869565 -0.0000000 -0.0000000), wk = 0.0032051 k( 10) = ( 0.0978261 -0.0000000 -0.0000000), wk = 0.0032051 k( 11) = ( 0.1086957 -0.0000000 -0.0000000), wk = 0.0032051 k( 12) = ( 0.1195652 -0.0000000 0.0000000), wk = 0.0032051 k( 13) = ( 0.1304348 -0.0000000 -0.0000000), wk = 0.0032051 k( 14) = ( 0.1413043 -0.0000000 -0.0000000), wk = 0.0032051 k( 15) = ( 0.1521739 -0.0000000 -0.0000000), wk = 0.0032051 k( 16) = ( 0.1630435 -0.0000000 -0.0000000), wk = 0.0032051 k( 17) = ( 0.1739130 -0.0000000 -0.0000000), wk = 0.0032051 k( 18) = ( 0.1847826 -0.0000000 -0.0000000), wk = 0.0032051 k( 19) = ( 0.1956522 -0.0000000 -0.0000000), wk = 0.0032051 k( 20) = ( 0.2065217 -0.0000000 -0.0000000), wk = 0.0032051 k( 21) = ( 0.2173913 -0.0000000 -0.0000000), wk = 0.0032051 k( 22) = ( 0.2282609 -0.0000000 -0.0000000), wk = 0.0032051 k( 23) = ( 0.2391304 -0.0000000 -0.0000000), wk = 0.0032051 k( 24) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0032051 k( 25) = ( 0.2608696 -0.0000000 0.0000000), wk = 0.0032051 k( 26) = ( 0.2717391 -0.0000000 -0.0000000), wk = 0.0032051 k( 27) = ( 0.2826087 -0.0000000 -0.0000000), wk = 0.0032051 k( 28) = ( 0.2934783 -0.0000000 0.0000000), wk = 0.0032051 k( 29) = ( 0.3043478 -0.0000000 0.0000000), wk = 0.0032051 k( 30) = ( 0.3152174 -0.0000000 -0.0000000), wk = 0.0032051 k( 31) = ( 0.3260870 -0.0000000 -0.0000000), wk = 0.0032051 k( 32) = ( 0.3369565 -0.0000000 -0.0000000), wk = 0.0032051 k( 33) = ( 0.3478261 -0.0000000 -0.0000000), wk = 0.0032051 k( 34) = ( 0.3586956 -0.0000000 -0.0000000), wk = 0.0032051 k( 35) = ( 0.3695652 -0.0000000 -0.0000000), wk = 0.0032051 k( 36) = ( 0.3804348 -0.0000000 -0.0000000), wk = 0.0032051 k( 37) = ( 0.3913044 -0.0000000 -0.0000000), wk = 0.0032051 k( 38) = ( 0.4021739 -0.0000000 -0.0000000), wk = 0.0032051 k( 39) = ( 0.4130435 -0.0000000 -0.0000000), wk = 0.0032051 k( 40) = ( 0.4239130 -0.0000000 -0.0000000), wk = 0.0032051 k( 41) = ( 0.4347826 -0.0000000 -0.0000000), wk = 0.0032051 k( 42) = ( 0.4456522 -0.0000000 -0.0000000), wk = 0.0032051 k( 43) = ( 0.4565217 -0.0000000 -0.0000000), wk = 0.0032051 k( 44) = ( 0.4673913 -0.0000000 -0.0000000), wk = 0.0032051 k( 45) = ( 0.4782609 -0.0000000 -0.0000000), wk = 0.0032051 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0032051 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 48) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 49) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0032051 k( 50) = ( 0.4876543 0.0246914 -0.0000000), wk = 0.0032051 k( 51) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0032051 k( 52) = ( 0.4753086 0.0493827 -0.0000000), wk = 0.0032051 k( 53) = ( 0.4691358 0.0617284 -0.0000000), wk = 0.0032051 k( 54) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0032051 k( 55) = ( 0.4567901 0.0864197 -0.0000000), wk = 0.0032051 k( 56) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0032051 k( 57) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0032051 k( 58) = ( 0.4382716 0.1234568 -0.0000000), wk = 0.0032051 k( 59) = ( 0.4320988 0.1358025 -0.0000000), wk = 0.0032051 k( 60) = ( 0.4259259 0.1481482 -0.0000000), wk = 0.0032051 k( 61) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0032051 k( 62) = ( 0.4135802 0.1728395 -0.0000000), wk = 0.0032051 k( 63) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0032051 k( 64) = ( 0.4012346 0.1975309 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3950617 0.2098765 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0032051 k( 67) = ( 0.3827160 0.2345679 -0.0000000), wk = 0.0032051 k( 68) = ( 0.3765432 0.2469136 0.0000000), wk = 0.0032051 k( 69) = ( 0.3703704 0.2592593 -0.0000000), wk = 0.0032051 k( 70) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0032051 k( 71) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0032051 k( 72) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0032051 k( 73) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0032051 k( 74) = ( 0.3395062 0.3209876 -0.0000000), wk = 0.0032051 k( 75) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 76) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 77) = ( 0.3270440 0.3270440 -0.0000000), wk = 0.0032051 k( 78) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0032051 k( 79) = ( 0.3144654 0.3144654 -0.0000000), wk = 0.0032051 k( 80) = ( 0.3081761 0.3081761 -0.0000000), wk = 0.0032051 k( 81) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0032051 k( 82) = ( 0.2955975 0.2955975 -0.0000000), wk = 0.0032051 k( 83) = ( 0.2893082 0.2893082 0.0000000), wk = 0.0032051 k( 84) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0032051 k( 85) = ( 0.2767296 0.2767296 -0.0000000), wk = 0.0032051 k( 86) = ( 0.2704402 0.2704402 -0.0000000), wk = 0.0032051 k( 87) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0032051 k( 88) = ( 0.2578616 0.2578616 -0.0000000), wk = 0.0032051 k( 89) = ( 0.2515723 0.2515723 -0.0000000), wk = 0.0032051 k( 90) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0032051 k( 91) = ( 0.2389937 0.2389937 -0.0000000), wk = 0.0032051 k( 92) = ( 0.2327044 0.2327044 0.0000000), wk = 0.0032051 k( 93) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0032051 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0032051 k( 95) = ( 0.2138365 0.2138365 -0.0000000), wk = 0.0032051 k( 96) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0032051 k( 97) = ( 0.2012579 0.2012579 -0.0000000), wk = 0.0032051 k( 98) = ( 0.1949685 0.1949685 -0.0000000), wk = 0.0032051 k( 99) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0032051 k( 100) = ( 0.1823899 0.1823899 -0.0000000), wk = 0.0032051 k( 101) = ( 0.1761006 0.1761006 -0.0000000), wk = 0.0032051 k( 102) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0032051 k( 103) = ( 0.1635220 0.1635220 -0.0000000), wk = 0.0032051 k( 104) = ( 0.1572327 0.1572327 -0.0000000), wk = 0.0032051 k( 105) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0032051 k( 106) = ( 0.1446541 0.1446541 0.0000000), wk = 0.0032051 k( 107) = ( 0.1383648 0.1383648 -0.0000000), wk = 0.0032051 k( 108) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0032051 k( 109) = ( 0.1257862 0.1257862 -0.0000000), wk = 0.0032051 k( 110) = ( 0.1194969 0.1194969 -0.0000000), wk = 0.0032051 k( 111) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0032051 k( 112) = ( 0.1069182 0.1069182 -0.0000000), wk = 0.0032051 k( 113) = ( 0.1006289 0.1006289 -0.0000000), wk = 0.0032051 k( 114) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0032051 k( 115) = ( 0.0880503 0.0880503 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0817610 0.0817610 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0691824 0.0691824 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0628931 0.0628931 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0032051 k( 121) = ( 0.0503145 0.0503145 -0.0000000), wk = 0.0032051 k( 122) = ( 0.0440252 0.0440252 0.0000000), wk = 0.0032051 k( 123) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0032051 k( 124) = ( 0.0314465 0.0314465 -0.0000000), wk = 0.0032051 k( 125) = ( 0.0251572 0.0251572 -0.0000000), wk = 0.0032051 k( 126) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0032051 k( 127) = ( 0.0125786 0.0125786 -0.0000000), wk = 0.0032051 k( 128) = ( 0.0062893 0.0062893 -0.0000000), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.0294118), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.0588235), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.0882353), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.1176471), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.1470588), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.1764706), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.2058823), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.2352941), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.2647059), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.2941177), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.3235294), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.3529412), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.3823529), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.4117647), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.4411765), wk = 0.0032051 k( 146) = ( 0.0000000 0.0000000 0.4705882), wk = 0.0032051 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 149) = ( 0.0108696 -0.0000000 0.5000000), wk = 0.0032051 k( 150) = ( 0.0217391 -0.0000000 0.5000000), wk = 0.0032051 k( 151) = ( 0.0326087 -0.0000000 0.5000000), wk = 0.0032051 k( 152) = ( 0.0434783 -0.0000000 0.5000000), wk = 0.0032051 k( 153) = ( 0.0543478 -0.0000000 0.5000000), wk = 0.0032051 k( 154) = ( 0.0652174 -0.0000000 0.5000000), wk = 0.0032051 k( 155) = ( 0.0760870 -0.0000000 0.5000000), wk = 0.0032051 k( 156) = ( 0.0869565 -0.0000000 0.5000000), wk = 0.0032051 k( 157) = ( 0.0978261 -0.0000000 0.5000000), wk = 0.0032051 k( 158) = ( 0.1086957 -0.0000000 0.5000000), wk = 0.0032051 k( 159) = ( 0.1195652 -0.0000000 0.5000000), wk = 0.0032051 k( 160) = ( 0.1304348 -0.0000000 0.5000000), wk = 0.0032051 k( 161) = ( 0.1413043 -0.0000000 0.5000000), wk = 0.0032051 k( 162) = ( 0.1521739 -0.0000000 0.5000000), wk = 0.0032051 k( 163) = ( 0.1630435 -0.0000000 0.5000000), wk = 0.0032051 k( 164) = ( 0.1739130 -0.0000000 0.5000000), wk = 0.0032051 k( 165) = ( 0.1847826 -0.0000000 0.5000000), wk = 0.0032051 k( 166) = ( 0.1956522 -0.0000000 0.5000000), wk = 0.0032051 k( 167) = ( 0.2065217 -0.0000000 0.5000000), wk = 0.0032051 k( 168) = ( 0.2173913 -0.0000000 0.5000000), wk = 0.0032051 k( 169) = ( 0.2282609 -0.0000000 0.5000000), wk = 0.0032051 k( 170) = ( 0.2391304 -0.0000000 0.5000000), wk = 0.0032051 k( 171) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0032051 k( 172) = ( 0.2608696 -0.0000000 0.5000000), wk = 0.0032051 k( 173) = ( 0.2717391 -0.0000000 0.5000000), wk = 0.0032051 k( 174) = ( 0.2826087 -0.0000000 0.5000000), wk = 0.0032051 k( 175) = ( 0.2934783 -0.0000000 0.5000000), wk = 0.0032051 k( 176) = ( 0.3043478 -0.0000000 0.5000000), wk = 0.0032051 k( 177) = ( 0.3152174 -0.0000000 0.5000000), wk = 0.0032051 k( 178) = ( 0.3260870 -0.0000000 0.5000000), wk = 0.0032051 k( 179) = ( 0.3369565 -0.0000000 0.5000000), wk = 0.0032051 k( 180) = ( 0.3478261 -0.0000000 0.5000000), wk = 0.0032051 k( 181) = ( 0.3586956 -0.0000000 0.5000000), wk = 0.0032051 k( 182) = ( 0.3695652 -0.0000000 0.5000000), wk = 0.0032051 k( 183) = ( 0.3804348 -0.0000000 0.5000000), wk = 0.0032051 k( 184) = ( 0.3913044 -0.0000000 0.5000000), wk = 0.0032051 k( 185) = ( 0.4021739 -0.0000000 0.5000000), wk = 0.0032051 k( 186) = ( 0.4130435 -0.0000000 0.5000000), wk = 0.0032051 k( 187) = ( 0.4239130 -0.0000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.4347826 -0.0000000 0.5000000), wk = 0.0032051 k( 189) = ( 0.4456522 -0.0000000 0.5000000), wk = 0.0032051 k( 190) = ( 0.4565217 -0.0000000 0.5000000), wk = 0.0032051 k( 191) = ( 0.4673913 -0.0000000 0.5000000), wk = 0.0032051 k( 192) = ( 0.4782609 -0.0000000 0.5000000), wk = 0.0032051 k( 193) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0032051 k( 194) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032051 k( 195) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032051 k( 196) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0032051 k( 197) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0032051 k( 198) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0032051 k( 199) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0032051 k( 200) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0032051 k( 201) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0032051 k( 202) = ( 0.4567901 0.0864197 0.5000000), wk = 0.0032051 k( 203) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0032051 k( 204) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0032051 k( 205) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0032051 k( 206) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0032051 k( 207) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0032051 k( 208) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0032051 k( 209) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0032051 k( 210) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0032051 k( 211) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0032051 k( 212) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0032051 k( 213) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0032051 k( 214) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0032051 k( 215) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0032051 k( 216) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0032051 k( 217) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0032051 k( 218) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0032051 k( 219) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0032051 k( 220) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0032051 k( 221) = ( 0.3395062 0.3209876 0.5000000), wk = 0.0032051 k( 222) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 223) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 224) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0032051 k( 225) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0032051 k( 226) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0032051 k( 227) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0032051 k( 228) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0032051 k( 229) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0032051 k( 230) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0032051 k( 231) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0032051 k( 232) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0032051 k( 233) = ( 0.2704402 0.2704402 0.5000000), wk = 0.0032051 k( 234) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0032051 k( 235) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0032051 k( 236) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0032051 k( 237) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0032051 k( 238) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0032051 k( 239) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0032051 k( 240) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0032051 k( 241) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0032051 k( 242) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0032051 k( 243) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0032051 k( 244) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0032051 k( 245) = ( 0.1949685 0.1949685 0.5000000), wk = 0.0032051 k( 246) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0032051 k( 247) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0032051 k( 248) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0032051 k( 249) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0032051 k( 250) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0032051 k( 251) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0032051 k( 252) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0032051 k( 253) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0032051 k( 254) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0032051 k( 255) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0032051 k( 256) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0032051 k( 257) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0032051 k( 258) = ( 0.1132076 0.1132075 0.5000000), wk = 0.0032051 k( 259) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0032051 k( 260) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0032051 k( 261) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0032051 k( 262) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0032051 k( 263) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0032051 k( 264) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0032051 k( 265) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0032051 k( 266) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0032051 k( 267) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0032051 k( 268) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0032051 k( 269) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0032051 k( 270) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0032051 k( 271) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0032051 k( 272) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0032051 k( 273) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0032051 k( 274) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0032051 k( 275) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0032051 k( 276) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 277) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0032051 k( 278) = ( 0.5000000 -0.0000000 0.4705882), wk = 0.0032051 k( 279) = ( 0.5000000 -0.0000000 0.4411765), wk = 0.0032051 k( 280) = ( 0.5000000 -0.0000000 0.4117647), wk = 0.0032051 k( 281) = ( 0.5000000 -0.0000000 0.3823529), wk = 0.0032051 k( 282) = ( 0.5000000 -0.0000000 0.3529412), wk = 0.0032051 k( 283) = ( 0.5000000 -0.0000000 0.3235294), wk = 0.0032051 k( 284) = ( 0.5000000 -0.0000000 0.2941177), wk = 0.0032051 k( 285) = ( 0.5000000 -0.0000000 0.2647059), wk = 0.0032051 k( 286) = ( 0.5000000 -0.0000000 0.2352941), wk = 0.0032051 k( 287) = ( 0.5000000 -0.0000000 0.2058824), wk = 0.0032051 k( 288) = ( 0.5000000 -0.0000000 0.1764706), wk = 0.0032051 k( 289) = ( 0.5000000 -0.0000000 0.1470588), wk = 0.0032051 k( 290) = ( 0.5000000 -0.0000000 0.1176471), wk = 0.0032051 k( 291) = ( 0.5000000 -0.0000000 0.0882353), wk = 0.0032051 k( 292) = ( 0.5000000 -0.0000000 0.0588235), wk = 0.0032051 k( 293) = ( 0.5000000 -0.0000000 0.0294118), wk = 0.0032051 k( 294) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032051 k( 295) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 296) = ( 0.3333333 0.3333333 0.0294118), wk = 0.0032051 k( 297) = ( 0.3333333 0.3333333 0.0588235), wk = 0.0032051 k( 298) = ( 0.3333333 0.3333333 0.0882353), wk = 0.0032051 k( 299) = ( 0.3333333 0.3333333 0.1176471), wk = 0.0032051 k( 300) = ( 0.3333333 0.3333333 0.1470588), wk = 0.0032051 k( 301) = ( 0.3333333 0.3333333 0.1764706), wk = 0.0032051 k( 302) = ( 0.3333333 0.3333333 0.2058823), wk = 0.0032051 k( 303) = ( 0.3333333 0.3333333 0.2352941), wk = 0.0032051 k( 304) = ( 0.3333333 0.3333333 0.2647059), wk = 0.0032051 k( 305) = ( 0.3333333 0.3333333 0.2941177), wk = 0.0032051 k( 306) = ( 0.3333333 0.3333333 0.3235294), wk = 0.0032051 k( 307) = ( 0.3333333 0.3333333 0.3529412), wk = 0.0032051 k( 308) = ( 0.3333333 0.3333333 0.3823529), wk = 0.0032051 k( 309) = ( 0.3333333 0.3333333 0.4117647), wk = 0.0032051 k( 310) = ( 0.3333333 0.3333333 0.4411765), wk = 0.0032051 k( 311) = ( 0.3333333 0.3333333 0.4705882), wk = 0.0032051 k( 312) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 Dense grid: 48211 G-vectors FFT dimensions: ( 36, 36, 90) Smooth grid: 31729 G-vectors FFT dimensions: ( 32, 32, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 230, 52) NL pseudopotentials 0.19 Mb ( 115, 110) Each V/rho on FFT grid 0.06 Mb ( 3888) Each G-vector array 0.01 Mb ( 1335) G-vector shells 0.01 Mb ( 679) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.73 Mb ( 230, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.17 Mb ( 110, 2, 52) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./In2Se3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.9 secs Computing kpt #: 2 total cpu time spent up to now is 2.3 secs Computing kpt #: 3 total cpu time spent up to now is 2.7 secs Computing kpt #: 4 total cpu time spent up to now is 3.1 secs Computing kpt #: 5 total cpu time spent up to now is 3.4 secs Computing kpt #: 6 total cpu time spent up to now is 3.8 secs Computing kpt #: 7 total cpu time spent up to now is 4.1 secs Computing kpt #: 8 total cpu time spent up to now is 4.4 secs Computing kpt #: 9 total cpu time spent up to now is 4.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.1 secs Computing kpt #: 11 total cpu time spent up to now is 5.4 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.4 secs Computing kpt #: 15 total cpu time spent up to now is 6.7 secs Computing kpt #: 16 total cpu time spent up to now is 7.1 secs Computing kpt #: 17 total cpu time spent up to now is 7.5 secs Computing kpt #: 18 total cpu time spent up to now is 7.9 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.7 secs Computing kpt #: 21 total cpu time spent up to now is 9.0 secs Computing kpt #: 22 total cpu time spent up to now is 9.4 secs Computing kpt #: 23 total cpu time spent up to now is 9.8 secs Computing kpt #: 24 total cpu time spent up to now is 10.2 secs Computing kpt #: 25 total cpu time spent up to now is 10.6 secs Computing kpt #: 26 total cpu time spent up to now is 11.0 secs Computing kpt #: 27 total cpu time spent up to now is 11.4 secs Computing kpt #: 28 total cpu time spent up to now is 11.9 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.7 secs Computing kpt #: 31 total cpu time spent up to now is 13.2 secs Computing kpt #: 32 total cpu time spent up to now is 13.7 secs Computing kpt #: 33 total cpu time spent up to now is 14.2 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.1 secs Computing kpt #: 36 total cpu time spent up to now is 15.6 secs Computing kpt #: 37 total cpu time spent up to now is 16.1 secs Computing kpt #: 38 total cpu time spent up to now is 16.5 secs Computing kpt #: 39 total cpu time spent up to now is 17.0 secs Computing kpt #: 40 total cpu time spent up to now is 17.4 secs Computing kpt #: 41 total cpu time spent up to now is 17.9 secs Computing kpt #: 42 total cpu time spent up to now is 18.3 secs Computing kpt #: 43 total cpu time spent up to now is 18.8 secs Computing kpt #: 44 total cpu time spent up to now is 19.3 secs Computing kpt #: 45 total cpu time spent up to now is 19.7 secs Computing kpt #: 46 total cpu time spent up to now is 20.2 secs Computing kpt #: 47 total cpu time spent up to now is 20.7 secs Computing kpt #: 48 total cpu time spent up to now is 21.1 secs Computing kpt #: 49 total cpu time spent up to now is 21.6 secs Computing kpt #: 50 total cpu time spent up to now is 22.0 secs Computing kpt #: 51 total cpu time spent up to now is 22.4 secs Computing kpt #: 52 total cpu time spent up to now is 22.8 secs Computing kpt #: 53 total cpu time spent up to now is 23.2 secs Computing kpt #: 54 total cpu time spent up to now is 23.6 secs Computing kpt #: 55 total cpu time spent up to now is 23.9 secs Computing kpt #: 56 total cpu time spent up to now is 24.2 secs Computing kpt #: 57 total cpu time spent up to now is 24.6 secs Computing kpt #: 58 total cpu time spent up to now is 24.9 secs Computing kpt #: 59 total cpu time spent up to now is 25.2 secs Computing kpt #: 60 total cpu time spent up to now is 25.5 secs Computing kpt #: 61 total cpu time spent up to now is 25.8 secs Computing kpt #: 62 total cpu time spent up to now is 26.2 secs Computing kpt #: 63 total cpu time spent up to now is 26.5 secs Computing kpt #: 64 total cpu time spent up to now is 26.8 secs Computing kpt #: 65 total cpu time spent up to now is 27.2 secs Computing kpt #: 66 total cpu time spent up to now is 27.5 secs Computing kpt #: 67 total cpu time spent up to now is 27.8 secs Computing kpt #: 68 total cpu time spent up to now is 28.1 secs Computing kpt #: 69 total cpu time spent up to now is 28.5 secs Computing kpt #: 70 total cpu time spent up to now is 28.8 secs Computing kpt #: 71 total cpu time spent up to now is 29.1 secs Computing kpt #: 72 total cpu time spent up to now is 29.5 secs Computing kpt #: 73 total cpu time spent up to now is 29.9 secs Computing kpt #: 74 total cpu time spent up to now is 30.3 secs Computing kpt #: 75 total cpu time spent up to now is 30.7 secs Computing kpt #: 76 total cpu time spent up to now is 31.0 secs Computing kpt #: 77 total cpu time spent up to now is 31.4 secs Computing kpt #: 78 total cpu time spent up to now is 31.8 secs Computing kpt #: 79 total cpu time spent up to now is 32.2 secs Computing kpt #: 80 total cpu time spent up to now is 32.5 secs Computing kpt #: 81 total cpu time spent up to now is 32.9 secs Computing kpt #: 82 total cpu time spent up to now is 33.2 secs Computing kpt #: 83 total cpu time spent up to now is 33.5 secs Computing kpt #: 84 total cpu time spent up to now is 33.8 secs Computing kpt #: 85 total cpu time spent up to now is 34.2 secs Computing kpt #: 86 total cpu time spent up to now is 34.5 secs Computing kpt #: 87 total cpu time spent up to now is 34.8 secs Computing kpt #: 88 total cpu time spent up to now is 35.2 secs Computing kpt #: 89 total cpu time spent up to now is 35.5 secs Computing kpt #: 90 total cpu time spent up to now is 35.8 secs Computing kpt #: 91 total cpu time spent up to now is 36.1 secs Computing kpt #: 92 total cpu time spent up to now is 36.5 secs Computing kpt #: 93 total cpu time spent up to now is 36.9 secs Computing kpt #: 94 total cpu time spent up to now is 37.2 secs Computing kpt #: 95 total cpu time spent up to now is 37.6 secs Computing kpt #: 96 total cpu time spent up to now is 37.9 secs Computing kpt #: 97 total cpu time spent up to now is 38.2 secs Computing kpt #: 98 total cpu time spent up to now is 38.5 secs Computing kpt #: 99 total cpu time spent up to now is 38.8 secs Computing kpt #: 100 total cpu time spent up to now is 39.1 secs Computing kpt #: 101 total cpu time spent up to now is 39.4 secs Computing kpt #: 102 total cpu time spent up to now is 39.8 secs Computing kpt #: 103 total cpu time spent up to now is 40.1 secs Computing kpt #: 104 total cpu time spent up to now is 40.4 secs Computing kpt #: 105 total cpu time spent up to now is 40.8 secs Computing kpt #: 106 total cpu time spent up to now is 41.1 secs Computing kpt #: 107 total cpu time spent up to now is 41.5 secs Computing kpt #: 108 total cpu time spent up to now is 41.8 secs Computing kpt #: 109 total cpu time spent up to now is 42.2 secs Computing kpt #: 110 total cpu time spent up to now is 42.6 secs Computing kpt #: 111 total cpu time spent up to now is 43.0 secs Computing kpt #: 112 total cpu time spent up to now is 43.4 secs Computing kpt #: 113 total cpu time spent up to now is 43.8 secs Computing kpt #: 114 total cpu time spent up to now is 44.2 secs Computing kpt #: 115 total cpu time spent up to now is 44.6 secs Computing kpt #: 116 total cpu time spent up to now is 44.9 secs Computing kpt #: 117 total cpu time spent up to now is 45.3 secs Computing kpt #: 118 total cpu time spent up to now is 45.6 secs Computing kpt #: 119 total cpu time spent up to now is 45.9 secs Computing kpt #: 120 total cpu time spent up to now is 46.2 secs Computing kpt #: 121 total cpu time spent up to now is 46.5 secs Computing kpt #: 122 total cpu time spent up to now is 46.9 secs Computing kpt #: 123 total cpu time spent up to now is 47.2 secs Computing kpt #: 124 total cpu time spent up to now is 47.6 secs Computing kpt #: 125 total cpu time spent up to now is 47.9 secs Computing kpt #: 126 total cpu time spent up to now is 48.3 secs Computing kpt #: 127 total cpu time spent up to now is 48.7 secs Computing kpt #: 128 total cpu time spent up to now is 49.1 secs Computing kpt #: 129 total cpu time spent up to now is 49.4 secs Computing kpt #: 130 total cpu time spent up to now is 49.8 secs Computing kpt #: 131 total cpu time spent up to now is 50.1 secs Computing kpt #: 132 total cpu time spent up to now is 50.4 secs Computing kpt #: 133 total cpu time spent up to now is 50.8 secs Computing kpt #: 134 total cpu time spent up to now is 51.1 secs Computing kpt #: 135 total cpu time spent up to now is 51.5 secs Computing kpt #: 136 total cpu time spent up to now is 51.8 secs Computing kpt #: 137 total cpu time spent up to now is 52.2 secs Computing kpt #: 138 total cpu time spent up to now is 52.5 secs Computing kpt #: 139 total cpu time spent up to now is 52.9 secs Computing kpt #: 140 total cpu time spent up to now is 53.2 secs Computing kpt #: 141 total cpu time spent up to now is 53.6 secs Computing kpt #: 142 total cpu time spent up to now is 53.9 secs Computing kpt #: 143 total cpu time spent up to now is 54.3 secs Computing kpt #: 144 total cpu time spent up to now is 54.6 secs Computing kpt #: 145 total cpu time spent up to now is 54.9 secs Computing kpt #: 146 total cpu time spent up to now is 55.3 secs Computing kpt #: 147 total cpu time spent up to now is 55.6 secs Computing kpt #: 148 total cpu time spent up to now is 55.9 secs Computing kpt #: 149 total cpu time spent up to now is 56.3 secs Computing kpt #: 150 total cpu time spent up to now is 56.6 secs Computing kpt #: 151 total cpu time spent up to now is 57.0 secs Computing kpt #: 152 total cpu time spent up to now is 57.3 secs Computing kpt #: 153 total cpu time spent up to now is 57.7 secs Computing kpt #: 154 total cpu time spent up to now is 58.0 secs Computing kpt #: 155 total cpu time spent up to now is 58.4 secs Computing kpt #: 156 total cpu time spent up to now is 58.7 secs Computing kpt #: 157 total cpu time spent up to now is 59.0 secs Computing kpt #: 158 total cpu time spent up to now is 59.3 secs Computing kpt #: 159 total cpu time spent up to now is 59.6 secs Computing kpt #: 160 total cpu time spent up to now is 59.9 secs Computing kpt #: 161 total cpu time spent up to now is 60.3 secs Computing kpt #: 162 total cpu time spent up to now is 60.6 secs Computing kpt #: 163 total cpu time spent up to now is 61.0 secs Computing kpt #: 164 total cpu time spent up to now is 61.4 secs Computing kpt #: 165 total cpu time spent up to now is 61.8 secs Computing kpt #: 166 total cpu time spent up to now is 62.2 secs Computing kpt #: 167 total cpu time spent up to now is 62.7 secs Computing kpt #: 168 total cpu time spent up to now is 63.2 secs Computing kpt #: 169 total cpu time spent up to now is 63.7 secs Computing kpt #: 170 total cpu time spent up to now is 64.2 secs Computing kpt #: 171 total cpu time spent up to now is 64.6 secs Computing kpt #: 172 total cpu time spent up to now is 65.1 secs Computing kpt #: 173 total cpu time spent up to now is 65.5 secs Computing kpt #: 174 total cpu time spent up to now is 66.0 secs Computing kpt #: 175 total cpu time spent up to now is 66.4 secs Computing kpt #: 176 total cpu time spent up to now is 66.8 secs Computing kpt #: 177 total cpu time spent up to now is 67.2 secs Computing kpt #: 178 total cpu time spent up to now is 67.6 secs Computing kpt #: 179 total cpu time spent up to now is 68.0 secs Computing kpt #: 180 total cpu time spent up to now is 68.4 secs Computing kpt #: 181 total cpu time spent up to now is 68.8 secs Computing kpt #: 182 total cpu time spent up to now is 69.2 secs Computing kpt #: 183 total cpu time spent up to now is 69.6 secs Computing kpt #: 184 total cpu time spent up to now is 69.9 secs Computing kpt #: 185 total cpu time spent up to now is 70.2 secs Computing kpt #: 186 total cpu time spent up to now is 70.6 secs Computing kpt #: 187 total cpu time spent up to now is 71.0 secs Computing kpt #: 188 total cpu time spent up to now is 71.4 secs Computing kpt #: 189 total cpu time spent up to now is 71.7 secs Computing kpt #: 190 total cpu time spent up to now is 72.1 secs Computing kpt #: 191 total cpu time spent up to now is 72.4 secs Computing kpt #: 192 total cpu time spent up to now is 72.8 secs Computing kpt #: 193 total cpu time spent up to now is 73.2 secs Computing kpt #: 194 total cpu time spent up to now is 73.5 secs Computing kpt #: 195 total cpu time spent up to now is 73.9 secs Computing kpt #: 196 total cpu time spent up to now is 74.3 secs Computing kpt #: 197 total cpu time spent up to now is 74.6 secs Computing kpt #: 198 total cpu time spent up to now is 75.0 secs Computing kpt #: 199 total cpu time spent up to now is 75.3 secs Computing kpt #: 200 total cpu time spent up to now is 75.6 secs Computing kpt #: 201 total cpu time spent up to now is 75.9 secs Computing kpt #: 202 total cpu time spent up to now is 76.2 secs Computing kpt #: 203 total cpu time spent up to now is 76.5 secs Computing kpt #: 204 total cpu time spent up to now is 76.9 secs Computing kpt #: 205 total cpu time spent up to now is 77.2 secs Computing kpt #: 206 total cpu time spent up to now is 77.5 secs Computing kpt #: 207 total cpu time spent up to now is 77.8 secs Computing kpt #: 208 total cpu time spent up to now is 78.1 secs Computing kpt #: 209 total cpu time spent up to now is 78.4 secs Computing kpt #: 210 total cpu time spent up to now is 78.8 secs Computing kpt #: 211 total cpu time spent up to now is 79.1 secs Computing kpt #: 212 total cpu time spent up to now is 79.5 secs Computing kpt #: 213 total cpu time spent up to now is 79.9 secs Computing kpt #: 214 total cpu time spent up to now is 80.3 secs Computing kpt #: 215 total cpu time spent up to now is 80.6 secs Computing kpt #: 216 total cpu time spent up to now is 81.0 secs Computing kpt #: 217 total cpu time spent up to now is 81.5 secs Computing kpt #: 218 total cpu time spent up to now is 81.9 secs Computing kpt #: 219 total cpu time spent up to now is 82.3 secs Computing kpt #: 220 total cpu time spent up to now is 82.7 secs Computing kpt #: 221 total cpu time spent up to now is 83.2 secs Computing kpt #: 222 total cpu time spent up to now is 83.7 secs Computing kpt #: 223 total cpu time spent up to now is 84.1 secs Computing kpt #: 224 total cpu time spent up to now is 84.6 secs Computing kpt #: 225 total cpu time spent up to now is 85.0 secs Computing kpt #: 226 total cpu time spent up to now is 85.5 secs Computing kpt #: 227 total cpu time spent up to now is 85.9 secs Computing kpt #: 228 total cpu time spent up to now is 86.4 secs Computing kpt #: 229 total cpu time spent up to now is 86.8 secs Computing kpt #: 230 total cpu time spent up to now is 87.3 secs Computing kpt #: 231 total cpu time spent up to now is 87.7 secs Computing kpt #: 232 total cpu time spent up to now is 88.2 secs Computing kpt #: 233 total cpu time spent up to now is 88.6 secs Computing kpt #: 234 total cpu time spent up to now is 89.0 secs Computing kpt #: 235 total cpu time spent up to now is 89.5 secs Computing kpt #: 236 total cpu time spent up to now is 89.9 secs Computing kpt #: 237 total cpu time spent up to now is 90.3 secs Computing kpt #: 238 total cpu time spent up to now is 90.7 secs Computing kpt #: 239 total cpu time spent up to now is 91.1 secs Computing kpt #: 240 total cpu time spent up to now is 91.6 secs Computing kpt #: 241 total cpu time spent up to now is 92.0 secs Computing kpt #: 242 total cpu time spent up to now is 92.4 secs Computing kpt #: 243 total cpu time spent up to now is 92.8 secs Computing kpt #: 244 total cpu time spent up to now is 93.2 secs Computing kpt #: 245 total cpu time spent up to now is 93.7 secs Computing kpt #: 246 total cpu time spent up to now is 94.1 secs Computing kpt #: 247 total cpu time spent up to now is 94.5 secs Computing kpt #: 248 total cpu time spent up to now is 94.9 secs Computing kpt #: 249 total cpu time spent up to now is 95.3 secs Computing kpt #: 250 total cpu time spent up to now is 95.7 secs Computing kpt #: 251 total cpu time spent up to now is 96.1 secs Computing kpt #: 252 total cpu time spent up to now is 96.5 secs Computing kpt #: 253 total cpu time spent up to now is 96.9 secs Computing kpt #: 254 total cpu time spent up to now is 97.4 secs Computing kpt #: 255 total cpu time spent up to now is 97.8 secs Computing kpt #: 256 total cpu time spent up to now is 98.2 secs Computing kpt #: 257 total cpu time spent up to now is 98.5 secs Computing kpt #: 258 total cpu time spent up to now is 98.9 secs Computing kpt #: 259 total cpu time spent up to now is 99.2 secs Computing kpt #: 260 total cpu time spent up to now is 99.5 secs Computing kpt #: 261 total cpu time spent up to now is 99.9 secs Computing kpt #: 262 total cpu time spent up to now is 100.2 secs Computing kpt #: 263 total cpu time spent up to now is 100.5 secs Computing kpt #: 264 total cpu time spent up to now is 100.8 secs Computing kpt #: 265 total cpu time spent up to now is 101.1 secs Computing kpt #: 266 total cpu time spent up to now is 101.4 secs Computing kpt #: 267 total cpu time spent up to now is 101.7 secs Computing kpt #: 268 total cpu time spent up to now is 102.1 secs Computing kpt #: 269 total cpu time spent up to now is 102.4 secs Computing kpt #: 270 total cpu time spent up to now is 102.7 secs Computing kpt #: 271 total cpu time spent up to now is 103.0 secs Computing kpt #: 272 total cpu time spent up to now is 103.4 secs Computing kpt #: 273 total cpu time spent up to now is 103.7 secs Computing kpt #: 274 total cpu time spent up to now is 104.1 secs Computing kpt #: 275 total cpu time spent up to now is 104.5 secs Computing kpt #: 276 total cpu time spent up to now is 104.8 secs Computing kpt #: 277 total cpu time spent up to now is 105.2 secs Computing kpt #: 278 total cpu time spent up to now is 105.5 secs Computing kpt #: 279 total cpu time spent up to now is 105.9 secs Computing kpt #: 280 total cpu time spent up to now is 106.3 secs Computing kpt #: 281 total cpu time spent up to now is 106.9 secs Computing kpt #: 282 total cpu time spent up to now is 107.3 secs Computing kpt #: 283 total cpu time spent up to now is 107.7 secs Computing kpt #: 284 total cpu time spent up to now is 108.2 secs Computing kpt #: 285 total cpu time spent up to now is 108.6 secs Computing kpt #: 286 total cpu time spent up to now is 109.0 secs Computing kpt #: 287 total cpu time spent up to now is 109.4 secs Computing kpt #: 288 total cpu time spent up to now is 109.7 secs Computing kpt #: 289 total cpu time spent up to now is 110.2 secs Computing kpt #: 290 total cpu time spent up to now is 110.7 secs Computing kpt #: 291 total cpu time spent up to now is 111.1 secs Computing kpt #: 292 total cpu time spent up to now is 111.6 secs Computing kpt #: 293 total cpu time spent up to now is 112.0 secs Computing kpt #: 294 total cpu time spent up to now is 112.5 secs Computing kpt #: 295 total cpu time spent up to now is 112.8 secs Computing kpt #: 296 total cpu time spent up to now is 113.2 secs Computing kpt #: 297 total cpu time spent up to now is 113.6 secs Computing kpt #: 298 total cpu time spent up to now is 114.0 secs Computing kpt #: 299 total cpu time spent up to now is 114.4 secs Computing kpt #: 300 total cpu time spent up to now is 114.8 secs Computing kpt #: 301 total cpu time spent up to now is 115.2 secs Computing kpt #: 302 total cpu time spent up to now is 115.6 secs Computing kpt #: 303 total cpu time spent up to now is 116.0 secs Computing kpt #: 304 total cpu time spent up to now is 116.4 secs Computing kpt #: 305 total cpu time spent up to now is 116.8 secs Computing kpt #: 306 total cpu time spent up to now is 117.2 secs Computing kpt #: 307 total cpu time spent up to now is 117.6 secs Computing kpt #: 308 total cpu time spent up to now is 118.0 secs Computing kpt #: 309 total cpu time spent up to now is 118.4 secs Computing kpt #: 310 total cpu time spent up to now is 118.8 secs Computing kpt #: 311 total cpu time spent up to now is 119.2 secs Computing kpt #: 312 total cpu time spent up to now is 119.6 secs ethr = 2.27E-08, avg # of iterations = 21.7 total cpu time spent up to now is 119.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.4999 -7.4999 -7.4901 -7.4901 -7.4420 -7.4420 -7.4375 -7.4375 -7.4310 -7.4310 -7.4258 -7.4258 -6.9297 -6.9297 -6.1458 -6.1458 -5.8709 -5.8709 1.0531 1.0531 2.6044 2.6044 5.2988 5.2988 5.6243 5.6243 5.6336 5.6336 5.8184 5.8184 5.9209 5.9209 6.1392 6.1392 6.1788 6.1788 7.0361 7.0361 9.1389 9.1389 9.2621 9.2621 10.9785 10.9785 k = 0.0109 0.0063-0.0000 ( 3989 PWs) bands (ev): -8.3058 -8.3058 -8.3025 -8.3025 -8.3018 -8.3018 -8.2981 -8.2981 -7.5008 -7.5008 -7.4895 -7.4895 -7.4422 -7.4422 -7.4378 -7.4378 -7.4309 -7.4309 -7.4256 -7.4256 -6.9288 -6.9288 -6.1447 -6.1447 -5.8697 -5.8697 1.0537 1.0537 2.6036 2.6036 5.2931 5.2931 5.5893 5.5893 5.6582 5.6582 5.8096 5.8096 5.9207 5.9207 6.1321 6.1321 6.1799 6.1799 7.0496 7.0496 9.1427 9.1427 9.2707 9.2707 10.9701 10.9701 k = 0.0217 0.0126-0.0000 ( 3985 PWs) bands (ev): -8.3074 -8.3074 -8.3026 -8.3026 -8.3010 -8.3010 -8.2977 -8.2977 -7.5031 -7.5031 -7.4881 -7.4881 -7.4427 -7.4427 -7.4387 -7.4387 -7.4306 -7.4306 -7.4251 -7.4251 -6.9263 -6.9263 -6.1414 -6.1414 -5.8661 -5.8661 1.0554 1.0554 2.6013 2.6013 5.2760 5.2760 5.5414 5.5414 5.6752 5.6752 5.7848 5.7848 5.9187 5.9187 6.1118 6.1118 6.1837 6.1837 7.0885 7.0885 9.1537 9.1537 9.2960 9.2960 10.9430 10.9430 k = 0.0326 0.0188-0.0000 ( 3985 PWs) bands (ev): -8.3094 -8.3094 -8.3028 -8.3028 -8.3003 -8.3003 -8.2972 -8.2972 -7.5061 -7.5061 -7.4865 -7.4865 -7.4436 -7.4436 -7.4399 -7.4399 -7.4302 -7.4302 -7.4244 -7.4244 -6.9219 -6.9219 -6.1360 -6.1360 -5.8600 -5.8600 1.0583 1.0583 2.5974 2.5974 5.2470 5.2470 5.4869 5.4869 5.6765 5.6765 5.7503 5.7503 5.9128 5.9128 6.0832 6.0832 6.1895 6.1895 7.1487 7.1487 9.1705 9.1705 9.3368 9.3368 10.8956 10.8956 k = 0.0435 0.0251-0.0000 ( 3981 PWs) bands (ev): -8.3117 -8.3117 -8.3031 -8.3031 -8.2998 -8.2998 -8.2967 -8.2967 -7.5097 -7.5097 -7.4850 -7.4850 -7.4448 -7.4448 -7.4412 -7.4412 -7.4297 -7.4297 -7.4235 -7.4235 -6.9159 -6.9159 -6.1284 -6.1284 -5.8515 -5.8515 1.0624 1.0624 2.5917 2.5917 5.2053 5.2053 5.4289 5.4289 5.6485 5.6485 5.7204 5.7204 5.9011 5.9011 6.0528 6.0528 6.1961 6.1961 7.2252 7.2252 9.1909 9.1909 9.3914 9.3914 10.8342 10.8342 k = 0.0543 0.0314-0.0000 ( 3981 PWs) bands (ev): -8.3142 -8.3142 -8.3034 -8.3034 -8.2993 -8.2993 -8.2962 -8.2962 -7.5137 -7.5137 -7.4837 -7.4837 -7.4466 -7.4466 -7.4426 -7.4426 -7.4291 -7.4291 -7.4226 -7.4226 -6.9081 -6.9081 -6.1187 -6.1187 -5.8408 -5.8408 1.0675 1.0675 2.5842 2.5842 5.1509 5.1509 5.3698 5.3698 5.5883 5.5883 5.6993 5.6993 5.8825 5.8825 6.0267 6.0267 6.2021 6.2021 7.3137 7.3137 9.2113 9.2113 9.4578 9.4578 10.7701 10.7701 k = 0.0652 0.0377-0.0000 ( 3967 PWs) bands (ev): -8.3168 -8.3168 -8.3038 -8.3038 -8.2989 -8.2989 -8.2958 -8.2958 -7.5181 -7.5181 -7.4825 -7.4825 -7.4487 -7.4487 -7.4438 -7.4438 -7.4284 -7.4284 -7.4216 -7.4216 -6.8986 -6.8986 -6.1070 -6.1070 -5.8278 -5.8278 1.0736 1.0736 2.5745 2.5745 5.0851 5.0851 5.3105 5.3105 5.5107 5.5107 5.6734 5.6734 5.8583 5.8583 6.0081 6.0081 6.2069 6.2069 7.4109 7.4109 9.2270 9.2270 9.5338 9.5338 10.7140 10.7140 k = 0.0761 0.0439-0.0000 ( 3967 PWs) bands (ev): -8.3197 -8.3197 -8.3043 -8.3043 -8.2985 -8.2985 -8.2955 -8.2955 -7.5227 -7.5227 -7.4817 -7.4817 -7.4512 -7.4512 -7.4450 -7.4450 -7.4277 -7.4277 -7.4205 -7.4205 -6.8874 -6.8874 -6.0933 -6.0933 -5.8127 -5.8127 1.0806 1.0806 2.5624 2.5624 5.0102 5.0102 5.2490 5.2490 5.4244 5.4244 5.6368 5.6368 5.8318 5.8318 5.9958 5.9958 6.2100 6.2100 7.5140 7.5140 9.2328 9.2328 9.6175 9.6175 10.6744 10.6744 k = 0.0870 0.0502-0.0000 ( 3967 PWs) bands (ev): -8.3228 -8.3228 -8.3049 -8.3049 -8.2981 -8.2981 -8.2953 -8.2953 -7.5277 -7.5277 -7.4812 -7.4812 -7.4538 -7.4538 -7.4460 -7.4460 -7.4269 -7.4269 -7.4194 -7.4194 -6.8744 -6.8744 -6.0776 -6.0776 -5.7956 -5.7956 1.0884 1.0884 2.5478 2.5478 4.9295 4.9295 5.1816 5.1816 5.3358 5.3358 5.5891 5.5891 5.8058 5.8058 5.9877 5.9877 6.2114 6.2114 7.6209 7.6209 9.2235 9.2235 9.7068 9.7068 10.6576 10.6576 k = 0.0978 0.0565-0.0000 ( 3967 PWs) bands (ev): -8.3261 -8.3261 -8.3056 -8.3056 -8.2978 -8.2978 -8.2952 -8.2952 -7.5328 -7.5328 -7.4813 -7.4813 -7.4564 -7.4564 -7.4470 -7.4470 -7.4260 -7.4260 -7.4183 -7.4183 -6.8598 -6.8598 -6.0600 -6.0600 -5.7766 -5.7766 1.0969 1.0969 2.5301 2.5301 4.8455 4.8455 5.1027 5.1027 5.2520 5.2520 5.5322 5.5322 5.7809 5.7809 5.9816 5.9816 6.2111 6.2111 7.7301 7.7301 9.1958 9.1958 9.8000 9.8000 10.6670 10.6670 k = 0.1087 0.0628-0.0000 ( 3963 PWs) bands (ev): -8.3295 -8.3295 -8.3065 -8.3065 -8.2976 -8.2976 -8.2950 -8.2950 -7.5382 -7.5382 -7.4820 -7.4820 -7.4588 -7.4588 -7.4479 -7.4479 -7.4252 -7.4252 -7.4171 -7.4171 -6.8434 -6.8434 -6.0407 -6.0407 -5.7558 -5.7558 1.1060 1.1060 2.5093 2.5093 4.7602 4.7602 5.0094 5.0094 5.1773 5.1773 5.4685 5.4685 5.7565 5.7565 5.9763 5.9763 6.2091 6.2091 7.8401 7.8401 9.1490 9.1490 9.8956 9.8956 10.7027 10.7027 k = 0.1196 0.0690-0.0000 ( 3961 PWs) bands (ev): -8.3331 -8.3331 -8.3076 -8.3076 -8.2975 -8.2975 -8.2948 -8.2948 -7.5437 -7.5437 -7.4834 -7.4834 -7.4608 -7.4608 -7.4488 -7.4488 -7.4242 -7.4242 -7.4159 -7.4159 -6.8253 -6.8253 -6.0196 -6.0196 -5.7333 -5.7333 1.1154 1.1154 2.4848 2.4848 4.6748 4.6748 4.9050 4.9050 5.1101 5.1101 5.4006 5.4006 5.7319 5.7319 5.9710 5.9710 6.2057 6.2057 7.9495 7.9495 9.0849 9.0849 9.9920 9.9920 10.7617 10.7617 k = 0.1304 0.0753-0.0000 ( 3961 PWs) bands (ev): -8.3368 -8.3368 -8.3089 -8.3089 -8.2975 -8.2975 -8.2945 -8.2945 -7.5493 -7.5493 -7.4858 -7.4858 -7.4622 -7.4622 -7.4495 -7.4495 -7.4232 -7.4232 -7.4146 -7.4146 -6.8055 -6.8055 -5.9969 -5.9969 -5.7093 -5.7093 1.1250 1.1250 2.4565 2.4565 4.5893 4.5893 4.7953 4.7953 5.0470 5.0470 5.3303 5.3303 5.7067 5.7067 5.9652 5.9652 6.2008 6.2008 8.0569 8.0569 9.0071 9.0071 10.0875 10.0875 10.8391 10.8391 k = 0.1413 0.0816-0.0000 ( 3967 PWs) bands (ev): -8.3406 -8.3406 -8.3105 -8.3105 -8.2975 -8.2975 -8.2942 -8.2942 -7.5549 -7.5549 -7.4889 -7.4889 -7.4631 -7.4631 -7.4502 -7.4502 -7.4222 -7.4222 -7.4133 -7.4133 -6.7841 -6.7841 -5.9727 -5.9727 -5.6840 -5.6840 1.1345 1.1345 2.4242 2.4242 4.5026 4.5026 4.6859 4.6859 4.9853 4.9853 5.2591 5.2591 5.6806 5.6806 5.9587 5.9587 6.1946 6.1946 8.1604 8.1604 8.9201 8.9201 10.1799 10.1799 10.9291 10.9291 k = 0.1522 0.0879-0.0000 ( 3963 PWs) bands (ev): -8.3446 -8.3446 -8.3124 -8.3124 -8.2975 -8.2975 -8.2938 -8.2938 -7.5605 -7.5605 -7.4927 -7.4927 -7.4635 -7.4635 -7.4509 -7.4509 -7.4211 -7.4211 -7.4120 -7.4120 -6.7611 -6.7611 -5.9471 -5.9471 -5.6573 -5.6573 1.1437 1.1437 2.3877 2.3877 4.4113 4.4113 4.5831 4.5831 4.9240 4.9240 5.1883 5.1883 5.6534 5.6534 5.9513 5.9513 6.1871 6.1871 8.2570 8.2570 8.8293 8.8293 10.2668 10.2668 11.0251 11.0251 k = 0.1630 0.0941-0.0000 ( 3967 PWs) bands (ev): -8.3487 -8.3487 -8.3145 -8.3145 -8.2974 -8.2974 -8.2934 -8.2934 -7.5660 -7.5660 -7.4970 -7.4970 -7.4637 -7.4637 -7.4515 -7.4515 -7.4200 -7.4200 -7.4107 -7.4107 -6.7365 -6.7365 -5.9202 -5.9202 -5.6295 -5.6295 1.1522 1.1522 2.3470 2.3470 4.3114 4.3114 4.4927 4.4927 4.8625 4.8625 5.1188 5.1188 5.6253 5.6253 5.9430 5.9430 6.1783 6.1783 8.3392 8.3392 8.7438 8.7438 10.3447 10.3447 11.1192 11.1192 k = 0.1739 0.1004-0.0000 ( 3961 PWs) bands (ev): -8.3530 -8.3530 -8.3169 -8.3169 -8.2974 -8.2974 -8.2930 -8.2930 -7.5714 -7.5714 -7.5016 -7.5016 -7.4637 -7.4637 -7.4520 -7.4520 -7.4188 -7.4188 -7.4093 -7.4093 -6.7104 -6.7104 -5.8920 -5.8920 -5.6008 -5.6008 1.1597 1.1597 2.3023 2.3023 4.2018 4.2018 4.4171 4.4171 4.8008 4.8008 5.0513 5.0513 5.5962 5.5962 5.9338 5.9338 6.1682 6.1682 8.3863 8.3863 8.6858 8.6858 10.4098 10.4098 11.2013 11.2013 k = 0.1848 0.1067-0.0000 ( 3953 PWs) bands (ev): -8.3573 -8.3573 -8.3196 -8.3196 -8.2973 -8.2973 -8.2926 -8.2926 -7.5767 -7.5767 -7.5064 -7.5064 -7.4636 -7.4636 -7.4525 -7.4525 -7.4176 -7.4176 -7.4078 -7.4078 -6.6828 -6.6828 -5.8628 -5.8628 -5.5712 -5.5712 1.1658 1.1658 2.2539 2.2539 4.0852 4.0852 4.3544 4.3544 4.7393 4.7393 4.9863 4.9863 5.5663 5.5663 5.9238 5.9238 6.1569 6.1569 8.3650 8.3650 8.6892 8.6892 10.4585 10.4585 11.2642 11.2642 k = 0.1957 0.1130-0.0000 ( 3953 PWs) bands (ev): -8.3617 -8.3617 -8.3225 -8.3225 -8.2972 -8.2972 -8.2922 -8.2922 -7.5818 -7.5818 -7.5113 -7.5113 -7.4634 -7.4634 -7.4529 -7.4529 -7.4163 -7.4163 -7.4063 -7.4063 -6.6539 -6.6539 -5.8327 -5.8327 -5.5409 -5.5409 1.1700 1.1700 2.2023 2.2023 3.9649 3.9649 4.3016 4.3016 4.6786 4.6786 4.9243 4.9243 5.5358 5.5358 5.9129 5.9129 6.1443 6.1443 8.2878 8.2878 8.7418 8.7418 10.4885 10.4885 11.3140 11.3140 k = 0.2065 0.1192-0.0000 ( 3953 PWs) bands (ev): -8.3662 -8.3662 -8.3256 -8.3256 -8.2970 -8.2970 -8.2918 -8.2918 -7.5867 -7.5867 -7.5164 -7.5164 -7.4632 -7.4632 -7.4533 -7.4533 -7.4150 -7.4150 -7.4048 -7.4048 -6.6236 -6.6236 -5.8018 -5.8018 -5.5100 -5.5100 1.1718 1.1718 2.1481 2.1481 3.8432 3.8432 4.2565 4.2565 4.6196 4.6196 4.8654 4.8654 5.5047 5.5047 5.9012 5.9012 6.1304 6.1304 8.1886 8.1886 8.8102 8.8102 10.5002 10.5002 11.3634 11.3634 k = 0.2174 0.1255-0.0000 ( 3949 PWs) bands (ev): -8.3708 -8.3708 -8.3289 -8.3289 -8.2968 -8.2968 -8.2914 -8.2914 -7.5914 -7.5914 -7.5214 -7.5214 -7.4630 -7.4630 -7.4536 -7.4536 -7.4137 -7.4137 -7.4033 -7.4033 -6.5920 -6.5920 -5.7702 -5.7702 -5.4787 -5.4787 1.1705 1.1705 2.0922 2.0922 3.7217 3.7217 4.2173 4.2173 4.5632 4.5632 4.8098 4.8098 5.4733 5.4733 5.8888 5.8888 6.1153 6.1153 8.0815 8.0815 8.8800 8.8800 10.4966 10.4966 11.4180 11.4180 k = 0.2283 0.1318-0.0000 ( 3953 PWs) bands (ev): -8.3754 -8.3754 -8.3323 -8.3323 -8.2966 -8.2966 -8.2911 -8.2911 -7.5959 -7.5959 -7.5265 -7.5265 -7.4627 -7.4627 -7.4539 -7.4539 -7.4124 -7.4124 -7.4018 -7.4018 -6.5593 -6.5593 -5.7380 -5.7380 -5.4471 -5.4471 1.1656 1.1656 2.0354 2.0354 3.6013 3.6013 4.1825 4.1825 4.5104 4.5104 4.7575 4.7575 5.4417 5.4417 5.8757 5.8757 6.0988 6.0988 7.9717 7.9717 8.9462 8.9462 10.4821 10.4821 11.4775 11.4775 k = 0.2391 0.1381-0.0000 ( 3957 PWs) bands (ev): -8.3801 -8.3801 -8.3359 -8.3359 -8.2964 -8.2964 -8.2907 -8.2907 -7.6001 -7.6001 -7.5315 -7.5315 -7.4625 -7.4625 -7.4541 -7.4541 -7.4110 -7.4110 -7.4002 -7.4002 -6.5256 -6.5256 -5.7056 -5.7056 -5.4153 -5.4153 1.1565 1.1565 1.9788 1.9788 3.4827 3.4827 4.1510 4.1510 4.4623 4.4623 4.7087 4.7087 5.4100 5.4100 5.8620 5.8620 6.0811 6.0811 7.8613 7.8613 9.0065 9.0065 10.4609 10.4609 11.5391 11.5391 k = 0.2500 0.1443-0.0000 ( 3953 PWs) bands (ev): -8.3848 -8.3848 -8.3395 -8.3395 -8.2961 -8.2961 -8.2904 -8.2904 -7.6040 -7.6040 -7.5364 -7.5364 -7.4623 -7.4623 -7.4543 -7.4543 -7.4096 -7.4096 -7.3987 -7.3987 -6.4908 -6.4908 -5.6729 -5.6729 -5.3834 -5.3834 1.1424 1.1424 1.9231 1.9231 3.3665 3.3665 4.1214 4.1214 4.4196 4.4196 4.6637 4.6637 5.3785 5.3785 5.8477 5.8477 6.0621 6.0621 7.7513 7.7513 9.0597 9.0597 10.4365 10.4365 11.5996 11.5996 k = 0.2609 0.1506-0.0000 ( 3957 PWs) bands (ev): -8.3895 -8.3895 -8.3432 -8.3432 -8.2958 -8.2958 -8.2901 -8.2901 -7.6076 -7.6076 -7.5412 -7.5412 -7.4621 -7.4621 -7.4544 -7.4544 -7.4082 -7.4082 -7.3971 -7.3971 -6.4553 -6.4553 -5.6402 -5.6402 -5.3516 -5.3516 1.1230 1.1230 1.8694 1.8694 3.2532 3.2532 4.0932 4.0932 4.3826 4.3826 4.6230 4.6230 5.3472 5.3472 5.8327 5.8327 6.0420 6.0420 7.6425 7.6425 9.1052 9.1052 10.4114 10.4114 11.6564 11.6564 k = 0.2717 0.1569-0.0000 ( 3941 PWs) bands (ev): -8.3942 -8.3942 -8.3470 -8.3470 -8.2955 -8.2955 -8.2898 -8.2898 -7.6110 -7.6110 -7.5458 -7.5458 -7.4619 -7.4619 -7.4545 -7.4545 -7.4068 -7.4068 -7.3956 -7.3956 -6.4190 -6.4190 -5.6077 -5.6077 -5.3200 -5.3200 1.0980 1.0980 1.8181 1.8181 3.1431 3.1431 4.0659 4.0659 4.3510 4.3510 4.5871 4.5871 5.3164 5.3164 5.8172 5.8172 6.0208 6.0208 7.5354 7.5354 9.1427 9.1427 10.3873 10.3873 11.7075 11.7075 k = 0.2826 0.1632-0.0000 ( 3943 PWs) bands (ev): -8.3989 -8.3989 -8.3507 -8.3507 -8.2952 -8.2952 -8.2895 -8.2895 -7.6141 -7.6141 -7.5504 -7.5504 -7.4617 -7.4617 -7.4546 -7.4546 -7.4054 -7.4054 -7.3941 -7.3941 -6.3821 -6.3821 -5.5755 -5.5755 -5.2888 -5.2888 1.0672 1.0672 1.7697 1.7697 3.0368 3.0368 4.0397 4.0397 4.3236 4.3236 4.5568 4.5568 5.2861 5.2861 5.8009 5.8009 5.9987 5.9987 7.4304 7.4304 9.1721 9.1721 10.3652 10.3652 11.7517 11.7517 k = 0.2935 0.1694-0.0000 ( 3945 PWs) bands (ev): -8.4035 -8.4035 -8.3545 -8.3545 -8.2949 -8.2949 -8.2893 -8.2893 -7.6170 -7.6170 -7.5548 -7.5548 -7.4615 -7.4615 -7.4546 -7.4546 -7.4040 -7.4040 -7.3926 -7.3926 -6.3447 -6.3447 -5.5439 -5.5439 -5.2579 -5.2579 1.0312 1.0312 1.7243 1.7243 2.9345 2.9345 4.0153 4.0153 4.2991 4.2991 4.5328 4.5328 5.2566 5.2566 5.7838 5.7838 5.9758 5.9758 7.3279 7.3279 9.1937 9.1937 10.3456 10.3456 11.7882 11.7882 k = 0.3043 0.1757-0.0000 ( 3945 PWs) bands (ev): -8.4081 -8.4081 -8.3582 -8.3582 -8.2946 -8.2946 -8.2890 -8.2890 -7.6196 -7.6196 -7.5590 -7.5590 -7.4614 -7.4614 -7.4547 -7.4547 -7.4027 -7.4027 -7.3911 -7.3911 -6.3071 -6.3071 -5.5130 -5.5130 -5.2276 -5.2276 0.9904 0.9904 1.6815 1.6815 2.8365 2.8365 3.9932 3.9932 4.2761 4.2761 4.5156 4.5156 5.2279 5.2279 5.7657 5.7657 5.9525 5.9525 7.2281 7.2281 9.2081 9.2081 10.3285 10.3285 11.8165 11.8165 k = 0.3152 0.1820-0.0000 ( 3951 PWs) bands (ev): -8.4126 -8.4126 -8.3618 -8.3618 -8.2943 -8.2943 -8.2888 -8.2888 -7.6219 -7.6219 -7.5631 -7.5631 -7.4612 -7.4612 -7.4547 -7.4547 -7.4013 -7.4013 -7.3896 -7.3896 -6.2694 -6.2694 -5.4830 -5.4830 -5.1979 -5.1979 0.9458 0.9458 1.6410 1.6410 2.7431 2.7431 3.9742 3.9742 4.2535 4.2535 4.5052 4.5052 5.2002 5.2002 5.7464 5.7464 5.9292 5.9292 7.1313 7.1313 9.2161 9.2161 10.3138 10.3138 11.8353 11.8353 k = 0.3261 0.1883-0.0000 ( 3959 PWs) bands (ev): -8.4170 -8.4170 -8.3653 -8.3653 -8.2940 -8.2940 -8.2887 -8.2887 -7.6240 -7.6240 -7.5669 -7.5669 -7.4611 -7.4611 -7.4546 -7.4546 -7.4000 -7.4000 -7.3882 -7.3882 -6.2317 -6.2317 -5.4542 -5.4542 -5.1689 -5.1689 0.8984 0.8984 1.6021 1.6021 2.6547 2.6547 3.9588 3.9588 4.2311 4.2311 4.5011 4.5011 5.1736 5.1736 5.7256 5.7256 5.9061 5.9061 7.0378 7.0378 9.2185 9.2185 10.3011 10.3011 11.8365 11.8365 k = 0.3370 0.1945-0.0000 ( 3954 PWs) bands (ev): -8.4212 -8.4212 -8.3687 -8.3687 -8.2937 -8.2937 -8.2885 -8.2885 -7.6259 -7.6259 -7.5706 -7.5706 -7.4609 -7.4609 -7.4546 -7.4546 -7.3987 -7.3987 -7.3869 -7.3869 -6.1943 -6.1943 -5.4267 -5.4267 -5.1408 -5.1408 0.8492 0.8492 1.5644 1.5644 2.5714 2.5714 3.9473 3.9473 4.2092 4.2092 4.5023 4.5023 5.1482 5.1482 5.7031 5.7031 5.8838 5.8838 6.9478 6.9478 9.2163 9.2163 10.2898 10.2898 11.8083 11.8083 k = 0.3478 0.2008-0.0000 ( 3960 PWs) bands (ev): -8.4253 -8.4253 -8.3720 -8.3720 -8.2933 -8.2933 -8.2884 -8.2884 -7.6275 -7.6275 -7.5741 -7.5741 -7.4608 -7.4608 -7.4545 -7.4545 -7.3975 -7.3975 -7.3856 -7.3856 -6.1574 -6.1574 -5.4007 -5.4007 -5.1137 -5.1137 0.7994 0.7994 1.5276 1.5276 2.4934 2.4934 3.9395 3.9395 4.1884 4.1884 4.5075 4.5075 5.1241 5.1241 5.6788 5.6788 5.8627 5.8627 6.8617 6.8617 9.2104 9.2104 10.2796 10.2796 11.7674 11.7674 k = 0.3587 0.2071-0.0000 ( 3960 PWs) bands (ev): -8.4292 -8.4292 -8.3752 -8.3752 -8.2930 -8.2930 -8.2884 -8.2884 -7.6289 -7.6289 -7.5774 -7.5774 -7.4607 -7.4607 -7.4544 -7.4544 -7.3963 -7.3963 -7.3844 -7.3844 -6.1212 -6.1212 -5.3764 -5.3764 -5.0876 -5.0876 0.7498 0.7498 1.4913 1.4913 2.4209 2.4209 3.9351 3.9351 4.1696 4.1696 4.5156 4.5156 5.1015 5.1015 5.6525 5.6525 5.8431 5.8431 6.7797 6.7797 9.2019 9.2019 10.2701 10.2701 11.7239 11.7239 k = 0.3696 0.2134-0.0000 ( 3966 PWs) bands (ev): -8.4330 -8.4330 -8.3781 -8.3781 -8.2927 -8.2927 -8.2883 -8.2883 -7.6302 -7.6302 -7.5804 -7.5804 -7.4606 -7.4606 -7.4544 -7.4544 -7.3951 -7.3951 -7.3832 -7.3832 -6.0859 -6.0859 -5.3540 -5.3540 -5.0627 -5.0627 0.7012 0.7012 1.4555 1.4555 2.3539 2.3539 3.9335 3.9335 4.1537 4.1537 4.5254 4.5254 5.0804 5.0804 5.6244 5.6244 5.8254 5.8254 6.7020 6.7020 9.1914 9.1914 10.2610 10.2610 11.6805 11.6805 k = 0.3804 0.2196-0.0000 ( 3966 PWs) bands (ev): -8.4365 -8.4365 -8.3809 -8.3809 -8.2924 -8.2924 -8.2883 -8.2883 -7.6313 -7.6313 -7.5833 -7.5833 -7.4605 -7.4605 -7.4543 -7.4543 -7.3941 -7.3941 -7.3821 -7.3821 -6.0518 -6.0518 -5.3334 -5.3334 -5.0390 -5.0390 0.6545 0.6545 1.4203 1.4203 2.2924 2.2924 3.9336 3.9336 4.1420 4.1420 4.5358 4.5358 5.0608 5.0608 5.5951 5.5951 5.8096 5.8096 6.6289 6.6289 9.1798 9.1798 10.2522 10.2522 11.6386 11.6386 k = 0.3913 0.2259-0.0000 ( 3966 PWs) bands (ev): -8.4398 -8.4398 -8.3835 -8.3835 -8.2921 -8.2921 -8.2882 -8.2882 -7.6322 -7.6322 -7.5860 -7.5860 -7.4604 -7.4604 -7.4542 -7.4542 -7.3931 -7.3931 -7.3811 -7.3811 -6.0192 -6.0192 -5.3149 -5.3149 -5.0168 -5.0168 0.6102 0.6102 1.3861 1.3861 2.2365 2.2365 3.9342 3.9342 4.1355 4.1355 4.5460 4.5460 5.0430 5.0430 5.5649 5.5649 5.7956 5.7956 6.5607 6.5607 9.1676 9.1676 10.2435 10.2435 11.5987 11.5987 k = 0.4022 0.2322-0.0000 ( 3966 PWs) bands (ev): -8.4428 -8.4428 -8.3859 -8.3859 -8.2918 -8.2918 -8.2883 -8.2883 -7.6330 -7.6330 -7.5884 -7.5884 -7.4603 -7.4603 -7.4542 -7.4542 -7.3921 -7.3921 -7.3801 -7.3801 -5.9884 -5.9884 -5.2984 -5.2984 -4.9962 -4.9962 0.5688 0.5688 1.3531 1.3531 2.1861 2.1861 3.9341 3.9341 4.1352 4.1352 4.5550 4.5550 5.0268 5.0268 5.5347 5.5347 5.7834 5.7834 6.4975 6.4975 9.1554 9.1554 10.2349 10.2349 11.5615 11.5615 k = 0.4130 0.2385-0.0000 ( 3966 PWs) bands (ev): -8.4455 -8.4455 -8.3880 -8.3880 -8.2915 -8.2915 -8.2883 -8.2883 -7.6336 -7.6336 -7.5906 -7.5906 -7.4602 -7.4602 -7.4541 -7.4541 -7.3913 -7.3913 -7.3793 -7.3793 -5.9597 -5.9597 -5.2839 -5.2839 -4.9772 -4.9772 0.5308 0.5308 1.3219 1.3219 2.1412 2.1412 3.9324 3.9324 4.1415 4.1415 4.5620 4.5620 5.0123 5.0123 5.5054 5.5054 5.7728 5.7728 6.4397 6.4397 9.1436 9.1436 10.2267 10.2267 11.5273 11.5273 k = 0.4239 0.2447-0.0000 ( 3966 PWs) bands (ev): -8.4480 -8.4480 -8.3899 -8.3899 -8.2912 -8.2912 -8.2883 -8.2883 -7.6341 -7.6341 -7.5925 -7.5925 -7.4601 -7.4601 -7.4540 -7.4540 -7.3905 -7.3905 -7.3785 -7.3785 -5.9333 -5.9333 -5.2716 -5.2716 -4.9600 -4.9600 0.4966 0.4966 1.2929 1.2929 2.1017 2.1017 3.9291 3.9291 4.1537 4.1537 4.5665 4.5665 4.9996 4.9996 5.4777 5.4777 5.7639 5.7639 6.3876 6.3876 9.1325 9.1325 10.2188 10.2188 11.4964 11.4964 k = 0.4348 0.2510-0.0000 ( 3968 PWs) bands (ev): -8.4502 -8.4502 -8.3916 -8.3916 -8.2909 -8.2909 -8.2884 -8.2884 -7.6345 -7.6345 -7.5942 -7.5942 -7.4600 -7.4600 -7.4540 -7.4540 -7.3899 -7.3899 -7.3778 -7.3778 -5.9096 -5.9096 -5.2612 -5.2612 -4.9448 -4.9448 0.4664 0.4664 1.2666 1.2666 2.0676 2.0676 3.9246 3.9246 4.1708 4.1708 4.5681 4.5681 4.9885 4.9885 5.4525 5.4525 5.7563 5.7563 6.3414 6.3414 9.1224 9.1224 10.2115 10.2115 11.4692 11.4692 k = 0.4457 0.2573-0.0000 ( 3972 PWs) bands (ev): -8.4520 -8.4520 -8.3930 -8.3930 -8.2907 -8.2907 -8.2885 -8.2885 -7.6349 -7.6349 -7.5957 -7.5957 -7.4599 -7.4599 -7.4539 -7.4539 -7.3893 -7.3893 -7.3773 -7.3773 -5.8889 -5.8889 -5.2526 -5.2526 -4.9317 -4.9317 0.4404 0.4404 1.2435 1.2435 2.0389 2.0389 3.9196 3.9196 4.1911 4.1911 4.5666 4.5666 4.9791 4.9791 5.4305 5.4305 5.7501 5.7501 6.3015 6.3015 9.1135 9.1135 10.2049 10.2049 11.4458 11.4458 k = 0.4565 0.2636-0.0000 ( 3972 PWs) bands (ev): -8.4536 -8.4536 -8.3942 -8.3942 -8.2904 -8.2904 -8.2886 -8.2886 -7.6351 -7.6351 -7.5969 -7.5969 -7.4599 -7.4599 -7.4539 -7.4539 -7.3888 -7.3888 -7.3768 -7.3768 -5.8715 -5.8715 -5.2459 -5.2459 -4.9208 -4.9208 0.4190 0.4190 1.2240 1.2240 2.0154 2.0154 3.9147 3.9147 4.2125 4.2125 4.5624 4.5624 4.9713 4.9713 5.4122 5.4122 5.7452 5.7452 6.2681 6.2681 9.1061 9.1061 10.1993 10.1993 11.4264 11.4264 k = 0.4674 0.2698-0.0000 ( 3964 PWs) bands (ev): -8.4548 -8.4548 -8.3952 -8.3952 -8.2902 -8.2902 -8.2887 -8.2887 -7.6353 -7.6353 -7.5979 -7.5979 -7.4598 -7.4598 -7.4538 -7.4538 -7.3884 -7.3884 -7.3764 -7.3764 -5.8576 -5.8576 -5.2408 -5.2408 -4.9122 -4.9122 0.4021 0.4021 1.2084 1.2084 1.9971 1.9971 3.9104 3.9104 4.2331 4.2331 4.5563 4.5563 4.9652 4.9652 5.3979 5.3979 5.7414 5.7414 6.2417 6.2417 9.1001 9.1001 10.1948 10.1948 11.4111 11.4111 k = 0.4783 0.2761-0.0000 ( 3964 PWs) bands (ev): -8.4557 -8.4557 -8.3958 -8.3958 -8.2900 -8.2900 -8.2888 -8.2888 -7.6354 -7.6354 -7.5986 -7.5986 -7.4598 -7.4598 -7.4538 -7.4538 -7.3882 -7.3882 -7.3762 -7.3762 -5.8476 -5.8476 -5.2372 -5.2372 -4.9060 -4.9060 0.3900 0.3900 1.1971 1.1971 1.9841 1.9841 3.9071 3.9071 4.2505 4.2505 4.5499 4.5499 4.9608 4.9608 5.3877 5.3877 5.7388 5.7388 6.2226 6.2226 9.0958 9.0958 10.1914 10.1914 11.4002 11.4002 k = 0.4891 0.2824-0.0000 ( 3966 PWs) bands (ev): -8.4562 -8.4562 -8.3962 -8.3962 -8.2899 -8.2899 -8.2889 -8.2889 -7.6355 -7.6355 -7.5990 -7.5990 -7.4598 -7.4598 -7.4538 -7.4538 -7.3880 -7.3880 -7.3760 -7.3760 -5.8414 -5.8414 -5.2351 -5.2351 -4.9022 -4.9022 0.3827 0.3827 1.1902 1.1902 1.9763 1.9763 3.9050 3.9050 4.2623 4.2623 4.5449 4.5449 4.9581 4.9581 5.3816 5.3816 5.7373 5.7373 6.2110 6.2110 9.0932 9.0932 10.1893 10.1893 11.3936 11.3936 k = 0.5000 0.2887-0.0000 ( 3966 PWs) bands (ev): -8.4563 -8.4563 -8.3963 -8.3963 -8.2898 -8.2898 -8.2890 -8.2890 -7.6355 -7.6355 -7.5991 -7.5991 -7.4598 -7.4598 -7.4538 -7.4538 -7.3880 -7.3880 -7.3760 -7.3760 -5.8394 -5.8394 -5.2344 -5.2344 -4.9010 -4.9010 0.3803 0.3803 1.1879 1.1879 1.9737 1.9737 3.9043 3.9043 4.2664 4.2664 4.5430 4.5430 4.9572 4.9572 5.3796 5.3796 5.7368 5.7368 6.2071 6.2071 9.0924 9.0924 10.1886 10.1886 11.3914 11.3914 k = 0.5000 0.2887-0.0000 ( 3966 PWs) bands (ev): -8.4563 -8.4563 -8.3963 -8.3963 -8.2898 -8.2898 -8.2890 -8.2890 -7.6355 -7.6355 -7.5991 -7.5991 -7.4598 -7.4598 -7.4538 -7.4538 -7.3880 -7.3880 -7.3760 -7.3760 -5.8394 -5.8394 -5.2344 -5.2344 -4.9010 -4.9010 0.3803 0.3803 1.1879 1.1879 1.9737 1.9737 3.9043 3.9043 4.2664 4.2664 4.5430 4.5430 4.9572 4.9572 5.3796 5.3796 5.7368 5.7368 6.2071 6.2071 9.0924 9.0924 10.1886 10.1886 11.3914 11.3914 k = 0.4938 0.2994-0.0000 ( 3964 PWs) bands (ev): -8.4562 -8.4562 -8.3963 -8.3963 -8.2905 -8.2905 -8.2884 -8.2884 -7.6354 -7.6354 -7.5991 -7.5991 -7.4599 -7.4599 -7.4539 -7.4539 -7.3880 -7.3880 -7.3760 -7.3760 -5.8383 -5.8383 -5.2339 -5.2339 -4.9011 -4.9011 0.3812 0.3812 1.1877 1.1877 1.9749 1.9749 3.8992 3.8992 4.2613 4.2613 4.5422 4.5422 4.9532 4.9532 5.3824 5.3824 5.7298 5.7298 6.2181 6.2181 9.0963 9.0963 10.1963 10.1963 11.3950 11.3950 k = 0.4877 0.3101-0.0000 ( 3964 PWs) bands (ev): -8.4558 -8.4558 -8.3963 -8.3963 -8.2917 -8.2917 -8.2877 -8.2877 -7.6353 -7.6353 -7.5992 -7.5992 -7.4604 -7.4604 -7.4542 -7.4542 -7.3883 -7.3883 -7.3761 -7.3761 -5.8351 -5.8351 -5.2324 -5.2324 -4.9016 -4.9016 0.3840 0.3840 1.1868 1.1868 1.9784 1.9784 3.8838 3.8838 4.2459 4.2459 4.5396 4.5396 4.9420 4.9420 5.3900 5.3900 5.7106 5.7106 6.2493 6.2493 9.1076 9.1076 10.2190 10.2190 11.4058 11.4058 k = 0.4815 0.3208-0.0000 ( 3948 PWs) bands (ev): -8.4551 -8.4551 -8.3963 -8.3963 -8.2930 -8.2930 -8.2870 -8.2870 -7.6351 -7.6351 -7.5994 -7.5994 -7.4614 -7.4614 -7.4547 -7.4547 -7.3887 -7.3887 -7.3762 -7.3762 -5.8299 -5.8299 -5.2298 -5.2298 -4.9024 -4.9024 0.3887 0.3887 1.1854 1.1854 1.9842 1.9842 3.8588 3.8588 4.2206 4.2206 4.5349 4.5349 4.9257 4.9257 5.4003 5.4003 5.6835 5.6835 6.2970 6.2970 9.1254 9.1254 10.2560 10.2560 11.4235 11.4235 k = 0.4753 0.3314-0.0000 ( 3946 PWs) bands (ev): -8.4541 -8.4541 -8.3962 -8.3962 -8.2945 -8.2945 -8.2865 -8.2865 -7.6348 -7.6348 -7.5996 -7.5996 -7.4629 -7.4629 -7.4551 -7.4551 -7.3892 -7.3892 -7.3763 -7.3763 -5.8226 -5.8226 -5.2262 -5.2262 -4.9036 -4.9036 0.3952 0.3952 1.1834 1.1834 1.9924 1.9924 3.8251 3.8251 4.1857 4.1857 4.5275 4.5275 4.9067 4.9067 5.4099 5.4099 5.6535 5.6535 6.3573 6.3573 9.1481 9.1481 10.3064 10.3064 11.4459 11.4459 k = 0.4691 0.3421-0.0000 ( 3950 PWs) bands (ev): -8.4529 -8.4529 -8.3961 -8.3961 -8.2962 -8.2962 -8.2860 -8.2860 -7.6344 -7.6344 -7.5998 -7.5998 -7.4651 -7.4651 -7.4554 -7.4554 -7.3898 -7.3898 -7.3766 -7.3766 -5.8133 -5.8133 -5.2216 -5.2216 -4.9051 -4.9051 0.4035 0.4035 1.1806 1.1806 2.0029 2.0029 3.7839 3.7839 4.1417 4.1417 4.5164 4.5164 4.8876 4.8876 5.4150 5.4150 5.6258 5.6258 6.4272 6.4272 9.1733 9.1733 10.3686 10.3686 11.4153 11.4153 k = 0.4630 0.3528-0.0000 ( 3952 PWs) bands (ev): -8.4514 -8.4514 -8.3960 -8.3960 -8.2980 -8.2980 -8.2856 -8.2856 -7.6340 -7.6340 -7.6001 -7.6001 -7.4678 -7.4678 -7.4556 -7.4556 -7.3905 -7.3905 -7.3769 -7.3769 -5.8021 -5.8021 -5.2161 -5.2161 -4.9070 -4.9070 0.4136 0.4136 1.1771 1.1771 2.0157 2.0157 3.7365 3.7365 4.0891 4.0891 4.5009 4.5009 4.8704 4.8704 5.4114 5.4114 5.6055 5.6055 6.5045 6.5045 9.1981 9.1981 10.4407 10.4407 11.3396 11.3396 k = 0.4568 0.3635-0.0000 ( 3952 PWs) bands (ev): -8.4497 -8.4497 -8.3959 -8.3959 -8.3001 -8.3001 -8.2853 -8.2853 -7.6334 -7.6334 -7.6004 -7.6004 -7.4712 -7.4712 -7.4557 -7.4557 -7.3911 -7.3911 -7.3772 -7.3772 -5.7892 -5.7892 -5.2096 -5.2096 -4.9092 -4.9092 0.4255 0.4255 1.1726 1.1726 2.0307 2.0307 3.6847 3.6847 4.0287 4.0287 4.4797 4.4797 4.8566 4.8566 5.3970 5.3970 5.5957 5.5957 6.5872 6.5872 9.2193 9.2193 10.5201 10.5201 11.2759 11.2759 k = 0.4506 0.3742-0.0000 ( 3964 PWs) bands (ev): -8.4477 -8.4477 -8.3958 -8.3958 -8.3023 -8.3023 -8.2850 -8.2850 -7.6328 -7.6328 -7.6008 -7.6008 -7.4750 -7.4750 -7.4558 -7.4558 -7.3917 -7.3917 -7.3777 -7.3777 -5.7746 -5.7746 -5.2024 -5.2024 -4.9119 -4.9119 0.4390 0.4390 1.1670 1.1670 2.0480 2.0480 3.6297 3.6297 3.9614 3.9614 4.4519 4.4519 4.8472 4.8472 5.3739 5.3739 5.5952 5.5952 6.6741 6.6741 9.2334 9.2334 10.6037 10.6037 11.2288 11.2288 k = 0.4444 0.3849-0.0000 ( 3966 PWs) bands (ev): -8.4456 -8.4456 -8.3957 -8.3957 -8.3047 -8.3047 -8.2848 -8.2848 -7.6322 -7.6322 -7.6011 -7.6011 -7.4792 -7.4792 -7.4558 -7.4558 -7.3923 -7.3923 -7.3782 -7.3782 -5.7585 -5.7585 -5.1944 -5.1944 -4.9149 -4.9149 0.4541 0.4541 1.1603 1.1603 2.0675 2.0675 3.5732 3.5732 3.8883 3.8883 4.4168 4.4168 4.8428 4.8428 5.3468 5.3468 5.6004 5.6004 6.7640 6.7640 9.2370 9.2370 10.6871 10.6871 11.2015 11.2015 k = 0.4383 0.3956-0.0000 ( 3964 PWs) bands (ev): -8.4432 -8.4432 -8.3956 -8.3956 -8.3073 -8.3073 -8.2846 -8.2846 -7.6314 -7.6314 -7.6014 -7.6014 -7.4839 -7.4839 -7.4558 -7.4558 -7.3928 -7.3928 -7.3787 -7.3787 -5.7410 -5.7410 -5.1856 -5.1856 -4.9185 -4.9185 0.4708 0.4708 1.1522 1.1522 2.0891 2.0891 3.5164 3.5164 3.8107 3.8107 4.3739 4.3739 4.8432 4.8432 5.3195 5.3195 5.6081 5.6081 6.8556 6.8556 9.2276 9.2276 10.7650 10.7650 11.1958 11.1958 k = 0.4321 0.4063-0.0000 ( 3966 PWs) bands (ev): -8.4406 -8.4406 -8.3955 -8.3955 -8.3101 -8.3101 -8.2845 -8.2845 -7.6307 -7.6307 -7.6017 -7.6017 -7.4888 -7.4888 -7.4558 -7.4558 -7.3932 -7.3932 -7.3793 -7.3793 -5.7224 -5.7224 -5.1763 -5.1763 -4.9225 -4.9225 0.4890 0.4890 1.1427 1.1427 2.1129 2.1129 3.4606 3.4606 3.7296 3.7296 4.3234 4.3234 4.8484 4.8484 5.2943 5.2943 5.6165 5.6165 6.9482 6.9482 9.2040 9.2040 10.8308 10.8308 11.2128 11.2128 k = 0.4259 0.4170-0.0000 ( 3966 PWs) bands (ev): -8.4379 -8.4379 -8.3954 -8.3954 -8.3131 -8.3131 -8.2844 -8.2844 -7.6299 -7.6299 -7.6019 -7.6019 -7.4939 -7.4939 -7.4558 -7.4558 -7.3936 -7.3936 -7.3799 -7.3799 -5.7027 -5.7027 -5.1664 -5.1664 -4.9269 -4.9269 0.5086 0.5086 1.1316 1.1316 2.1386 2.1386 3.4066 3.4066 3.6464 3.6464 4.2659 4.2659 4.8578 4.8578 5.2727 5.2727 5.6243 5.6243 7.0409 7.0409 9.1664 9.1664 10.8779 10.8779 11.2525 11.2525 k = 0.4198 0.4277-0.0000 ( 3966 PWs) bands (ev): -8.4351 -8.4351 -8.3952 -8.3952 -8.3162 -8.3162 -8.2843 -8.2843 -7.6290 -7.6290 -7.6020 -7.6020 -7.4992 -7.4992 -7.4558 -7.4558 -7.3938 -7.3938 -7.3805 -7.3805 -5.6821 -5.6821 -5.1560 -5.1560 -4.9319 -4.9319 0.5294 0.5294 1.1190 1.1190 2.1663 2.1663 3.3555 3.3555 3.5620 3.5620 4.2024 4.2024 4.8710 4.8710 5.2548 5.2548 5.6311 5.6311 7.1330 7.1330 9.1160 9.1160 10.9028 10.9028 11.3134 11.3134 k = 0.4136 0.4384-0.0000 ( 3970 PWs) bands (ev): -8.4321 -8.4321 -8.3951 -8.3951 -8.3194 -8.3194 -8.2843 -8.2843 -7.6282 -7.6282 -7.6021 -7.6021 -7.5046 -7.5046 -7.4558 -7.4558 -7.3941 -7.3941 -7.3811 -7.3811 -5.6609 -5.6609 -5.1454 -5.1454 -4.9374 -4.9374 0.5513 0.5513 1.1046 1.1046 2.1959 2.1959 3.3078 3.3078 3.4777 3.4777 4.1338 4.1338 4.8875 4.8875 5.2409 5.2409 5.6362 5.6362 7.2238 7.2238 9.0549 9.0549 10.9066 10.9066 11.3919 11.3919 k = 0.4074 0.4491-0.0000 ( 3974 PWs) bands (ev): -8.4291 -8.4291 -8.3950 -8.3950 -8.3228 -8.3228 -8.2843 -8.2843 -7.6273 -7.6273 -7.6020 -7.6020 -7.5099 -7.5099 -7.4558 -7.4558 -7.3942 -7.3942 -7.3817 -7.3817 -5.6393 -5.6393 -5.1344 -5.1344 -4.9434 -4.9434 0.5742 0.5742 1.0886 1.0886 2.2271 2.2271 3.2640 3.2640 3.3944 3.3944 4.0616 4.0616 4.9069 4.9069 5.2304 5.2304 5.6396 5.6396 7.3129 7.3129 8.9856 8.9856 10.8936 10.8936 11.4838 11.4838 k = 0.4012 0.4597-0.0000 ( 3970 PWs) bands (ev): -8.4260 -8.4260 -8.3948 -8.3948 -8.3263 -8.3263 -8.2843 -8.2843 -7.6265 -7.6265 -7.6019 -7.6019 -7.5153 -7.5153 -7.4558 -7.4558 -7.3943 -7.3943 -7.3823 -7.3823 -5.6174 -5.6174 -5.1234 -5.1234 -4.9499 -4.9499 0.5979 0.5979 1.0710 1.0710 2.2598 2.2598 3.2244 3.2244 3.3134 3.3134 3.9870 3.9870 4.9288 4.9288 5.2229 5.2229 5.6411 5.6411 7.3997 7.3997 8.9104 8.9104 10.8690 10.8690 11.5853 11.5853 k = 0.3951 0.4704-0.0000 ( 3970 PWs) bands (ev): -8.4230 -8.4230 -8.3946 -8.3946 -8.3298 -8.3298 -8.2843 -8.2843 -7.6257 -7.6257 -7.6016 -7.6016 -7.5205 -7.5205 -7.4558 -7.4558 -7.3944 -7.3944 -7.3828 -7.3828 -5.5956 -5.5956 -5.1123 -5.1123 -4.9569 -4.9569 0.6222 0.6222 1.0519 1.0519 2.2937 2.2937 3.1887 3.1887 3.2360 3.2360 3.9112 3.9112 4.9528 4.9528 5.2179 5.2179 5.6404 5.6404 7.4839 7.4839 8.8316 8.8316 10.8371 10.8371 11.6930 11.6930 k = 0.3889 0.4811-0.0000 ( 3966 PWs) bands (ev): -8.4200 -8.4200 -8.3943 -8.3943 -8.3334 -8.3334 -8.2843 -8.2843 -7.6250 -7.6250 -7.6012 -7.6012 -7.5255 -7.5255 -7.4558 -7.4558 -7.3944 -7.3944 -7.3833 -7.3833 -5.5741 -5.5741 -5.1013 -5.1013 -4.9643 -4.9643 0.6469 0.6469 1.0316 1.0316 2.3285 2.3285 3.1509 3.1509 3.1691 3.1691 3.8355 3.8355 4.9785 4.9785 5.2148 5.2148 5.6376 5.6376 7.5651 7.5651 8.7509 8.7509 10.8015 10.8015 11.8037 11.8037 k = 0.3827 0.4918-0.0000 ( 3966 PWs) bands (ev): -8.4171 -8.4171 -8.3940 -8.3940 -8.3370 -8.3370 -8.2843 -8.2843 -7.6243 -7.6243 -7.6007 -7.6007 -7.5302 -7.5302 -7.4558 -7.4558 -7.3944 -7.3944 -7.3838 -7.3838 -5.5532 -5.5532 -5.0906 -5.0906 -4.9720 -4.9720 0.6717 0.6717 1.0102 1.0102 2.3637 2.3637 3.0892 3.0892 3.1356 3.1356 3.7612 3.7612 5.0056 5.0056 5.2132 5.2132 5.6326 5.6326 7.6430 7.6430 8.6701 8.6701 10.7646 10.7646 11.9145 11.9145 k = 0.3765 0.5025-0.0000 ( 3966 PWs) bands (ev): -8.4144 -8.4144 -8.3935 -8.3935 -8.3405 -8.3405 -8.2843 -8.2843 -7.6237 -7.6237 -7.6001 -7.6001 -7.5347 -7.5347 -7.4559 -7.4559 -7.3944 -7.3944 -7.3842 -7.3842 -5.5332 -5.5332 -5.0802 -5.0802 -4.9800 -4.9800 0.6964 0.6964 0.9881 0.9881 2.3985 2.3985 3.0280 3.0280 3.1120 3.1120 3.6896 3.6896 5.0337 5.0337 5.2125 5.2125 5.6254 5.6254 7.7174 7.7174 8.5904 8.5904 10.7286 10.7286 12.0225 12.0225 k = 0.3704 0.5132-0.0000 ( 3966 PWs) bands (ev): -8.4120 -8.4120 -8.3928 -8.3928 -8.3439 -8.3439 -8.2843 -8.2843 -7.6231 -7.6231 -7.5994 -7.5994 -7.5387 -7.5387 -7.4559 -7.4559 -7.3943 -7.3943 -7.3845 -7.3845 -5.5145 -5.5145 -5.0703 -5.0703 -4.9881 -4.9881 0.7207 0.7207 0.9656 0.9656 2.4317 2.4317 2.9746 2.9746 3.0915 3.0915 3.6222 3.6222 5.0622 5.0622 5.2125 5.2125 5.6162 5.6162 7.7882 7.7882 8.5130 8.5130 10.6948 10.6948 12.1253 12.1253 k = 0.3642 0.5239-0.0000 ( 3964 PWs) bands (ev): -8.4100 -8.4100 -8.3920 -8.3920 -8.3471 -8.3471 -8.2843 -8.2843 -7.6226 -7.6226 -7.5987 -7.5987 -7.5423 -7.5423 -7.4559 -7.4559 -7.3942 -7.3942 -7.3848 -7.3848 -5.4975 -5.4975 -5.0611 -5.0611 -4.9962 -4.9962 0.7443 0.7443 0.9431 0.9431 2.4618 2.4618 2.9318 2.9318 3.0724 3.0724 3.5609 3.5609 5.0906 5.0906 5.2126 5.2126 5.6053 5.6053 7.8551 7.8551 8.4387 8.4387 10.6645 10.6645 12.2204 12.2204 k = 0.3580 0.5346-0.0000 ( 3964 PWs) bands (ev): -8.4084 -8.4084 -8.3911 -8.3911 -8.3500 -8.3500 -8.2843 -8.2843 -7.6222 -7.6222 -7.5981 -7.5981 -7.5453 -7.5453 -7.4559 -7.4559 -7.3942 -7.3942 -7.3850 -7.3850 -5.4826 -5.4826 -5.0527 -5.0527 -5.0039 -5.0039 0.7669 0.7669 0.9212 0.9212 2.4867 2.4867 2.9020 2.9020 3.0530 3.0530 3.5076 3.5076 5.1180 5.1180 5.2127 5.2127 5.5932 5.5932 7.9182 7.9182 8.3684 8.3684 10.6386 10.6386 12.3053 12.3053 k = 0.3519 0.5453-0.0000 ( 3968 PWs) bands (ev): -8.4072 -8.4072 -8.3901 -8.3901 -8.3525 -8.3525 -8.2843 -8.2843 -7.6219 -7.6219 -7.5975 -7.5975 -7.5478 -7.5478 -7.4559 -7.4559 -7.3941 -7.3941 -7.3852 -7.3852 -5.4703 -5.4703 -5.0452 -5.0452 -5.0110 -5.0110 0.7881 0.7881 0.9001 0.9001 2.5045 2.5045 2.8880 2.8880 3.0313 3.0313 3.4645 3.4645 5.1431 5.1431 5.2124 5.2124 5.5809 5.5809 7.9775 7.9775 8.3027 8.3027 10.6177 10.6177 12.3778 12.3778 k = 0.3457 0.5560-0.0000 ( 3964 PWs) bands (ev): -8.4064 -8.4064 -8.3892 -8.3892 -8.3545 -8.3545 -8.2843 -8.2843 -7.6216 -7.6216 -7.5971 -7.5971 -7.5495 -7.5495 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4609 -5.4609 -5.0391 -5.0391 -5.0171 -5.0171 0.8074 0.8074 0.8806 0.8806 2.5144 2.5144 2.8908 2.8908 3.0057 3.0057 3.4334 3.4334 5.1642 5.1642 5.2120 5.2120 5.5696 5.5696 8.0329 8.0329 8.2422 8.2422 10.6025 10.6025 12.4354 12.4354 k = 0.3395 0.5667-0.0000 ( 3968 PWs) bands (ev): -8.4060 -8.4060 -8.3885 -8.3885 -8.3557 -8.3557 -8.2843 -8.2843 -7.6215 -7.6215 -7.5969 -7.5969 -7.5506 -7.5506 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4550 -5.4550 -5.0347 -5.0347 -5.0214 -5.0214 0.8239 0.8239 0.8638 0.8638 2.5179 2.5179 2.9091 2.9091 2.9754 2.9754 3.4152 3.4152 5.1786 5.1786 5.2118 5.2118 5.5612 5.5612 8.0839 8.0839 8.1878 8.1878 10.5932 10.5932 12.4738 12.4738 k = 0.3333 0.5774-0.0000 ( 3972 PWs) bands (ev): -8.4058 -8.4058 -8.3883 -8.3883 -8.3561 -8.3561 -8.2843 -8.2843 -7.6214 -7.6214 -7.5968 -7.5968 -7.5509 -7.5509 -7.4560 -7.4560 -7.3940 -7.3940 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8325 0.8325 0.8551 0.8551 2.5183 2.5183 2.9358 2.9358 2.9452 2.9452 3.4094 3.4094 5.1834 5.1834 5.2121 5.2121 5.5579 5.5579 8.1197 8.1197 8.1507 8.1507 10.5901 10.5901 12.4876 12.4876 k = 0.3333 0.5774-0.0000 ( 3972 PWs) bands (ev): -8.4058 -8.4058 -8.3883 -8.3883 -8.3561 -8.3561 -8.2843 -8.2843 -7.6214 -7.6214 -7.5968 -7.5968 -7.5509 -7.5509 -7.4560 -7.4560 -7.3940 -7.3940 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8325 0.8325 0.8551 0.8551 2.5183 2.5183 2.9358 2.9358 2.9452 2.9452 3.4094 3.4094 5.1834 5.1834 5.2121 5.2121 5.5579 5.5579 8.1197 8.1197 8.1507 8.1507 10.5901 10.5901 12.4876 12.4876 k = 0.3270 0.5665-0.0000 ( 3964 PWs) bands (ev): -8.4060 -8.4060 -8.3885 -8.3885 -8.3557 -8.3557 -8.2843 -8.2843 -7.6215 -7.6215 -7.5969 -7.5969 -7.5506 -7.5506 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4552 -5.4552 -5.0340 -5.0340 -5.0222 -5.0222 0.8255 0.8255 0.8624 0.8624 2.5189 2.5189 2.9021 2.9021 2.9821 2.9821 3.4148 3.4148 5.1792 5.1792 5.2104 5.2104 5.5619 5.5619 8.0873 8.0873 8.1845 8.1845 10.5933 10.5933 12.4749 12.4749 k = 0.3208 0.5556-0.0000 ( 3966 PWs) bands (ev): -8.4063 -8.4063 -8.3891 -8.3891 -8.3545 -8.3545 -8.2843 -8.2843 -7.6217 -7.6217 -7.5970 -7.5970 -7.5496 -7.5496 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4618 -5.4618 -5.0348 -5.0348 -5.0215 -5.0215 0.8155 0.8155 0.8735 0.8735 2.5225 2.5225 2.8630 2.8630 3.0304 3.0304 3.4298 3.4298 5.1673 5.1673 5.2040 5.2040 5.5740 5.5740 8.0489 8.0489 8.2274 8.2274 10.6029 10.6029 12.4434 12.4434 k = 0.3145 0.5447-0.0000 ( 3970 PWs) bands (ev): -8.4070 -8.4070 -8.3897 -8.3897 -8.3528 -8.3528 -8.2843 -8.2843 -7.6220 -7.6220 -7.5971 -7.5971 -7.5481 -7.5481 -7.4559 -7.4559 -7.3941 -7.3941 -7.3853 -7.3853 -5.4728 -5.4728 -5.0349 -5.0349 -5.0219 -5.0219 0.8074 0.8074 0.8837 0.8837 2.5307 2.5307 2.8245 2.8245 3.0839 3.0839 3.4526 3.4526 5.1476 5.1476 5.1938 5.1938 5.5939 5.5939 8.0154 8.0154 8.2687 8.2687 10.6185 10.6185 12.4012 12.4012 k = 0.3082 0.5338-0.0000 ( 3978 PWs) bands (ev): -8.4078 -8.4078 -8.3904 -8.3904 -8.3507 -8.3507 -8.2843 -8.2843 -7.6225 -7.6225 -7.5971 -7.5971 -7.5461 -7.5461 -7.4559 -7.4559 -7.3942 -7.3942 -7.3852 -7.3852 -5.4881 -5.4881 -5.0346 -5.0346 -5.0234 -5.0234 0.8024 0.8024 0.8926 0.8926 2.5444 2.5444 2.7881 2.7881 3.1414 3.1414 3.4819 3.4819 5.1201 5.1201 5.1814 5.1814 5.6199 5.6199 7.9871 7.9871 8.3083 8.3083 10.6398 10.6398 12.3523 12.3523 k = 0.3019 0.5229-0.0000 ( 3978 PWs) bands (ev): -8.4088 -8.4088 -8.3909 -8.3909 -8.3483 -8.3483 -8.2843 -8.2843 -7.6231 -7.6231 -7.5969 -7.5969 -7.5437 -7.5437 -7.4559 -7.4559 -7.3944 -7.3944 -7.3852 -7.3852 -5.5074 -5.5074 -5.0351 -5.0351 -5.0255 -5.0255 0.8008 0.8008 0.9004 0.9004 2.5637 2.5637 2.7551 2.7551 3.2019 3.2019 3.5164 3.5164 5.0860 5.0860 5.1678 5.1678 5.6504 5.6504 7.9641 7.9641 8.3466 8.3466 10.6664 10.6664 12.2989 12.2989 k = 0.2956 0.5120-0.0000 ( 3974 PWs) bands (ev): -8.4100 -8.4100 -8.3911 -8.3911 -8.3457 -8.3457 -8.2843 -8.2843 -7.6238 -7.6238 -7.5965 -7.5965 -7.5410 -7.5410 -7.4558 -7.4558 -7.3945 -7.3945 -7.3851 -7.3851 -5.5303 -5.5303 -5.0384 -5.0384 -5.0263 -5.0263 0.8028 0.8028 0.9073 0.9073 2.5885 2.5885 2.7264 2.7264 3.2649 3.2649 3.5552 3.5552 5.0471 5.0471 5.1529 5.1529 5.6840 5.6840 7.9460 7.9460 8.3839 8.3839 10.6975 10.6975 12.2422 12.2422 k = 0.2893 0.5011-0.0000 ( 3976 PWs) bands (ev): -8.4112 -8.4112 -8.3911 -8.3911 -8.3431 -8.3431 -8.2844 -8.2844 -7.6245 -7.6245 -7.5959 -7.5959 -7.5380 -7.5380 -7.4558 -7.4558 -7.3947 -7.3947 -7.3851 -7.3851 -5.5564 -5.5564 -5.0452 -5.0452 -5.0257 -5.0257 0.8086 0.8086 0.9138 0.9138 2.6174 2.6174 2.7038 2.7038 3.3300 3.3300 3.5976 3.5976 5.0051 5.0051 5.1367 5.1367 5.7196 5.7196 7.9326 7.9326 8.4206 8.4206 10.7327 10.7327 12.1830 12.1830 k = 0.2830 0.4902-0.0000 ( 3968 PWs) bands (ev): -8.4124 -8.4124 -8.3908 -8.3908 -8.3404 -8.3404 -8.2844 -8.2844 -7.6253 -7.6253 -7.5951 -7.5951 -7.5349 -7.5349 -7.4557 -7.4557 -7.3949 -7.3949 -7.3852 -7.3852 -5.5855 -5.5855 -5.0547 -5.0547 -5.0251 -5.0251 0.8184 0.8184 0.9202 0.9202 2.6440 2.6440 2.6936 2.6936 3.3969 3.3969 3.6430 3.6430 4.9615 4.9615 5.1192 5.1192 5.7563 5.7563 7.9234 7.9234 8.4571 8.4571 10.7710 10.7710 12.1218 12.1218 k = 0.2767 0.4793-0.0000 ( 3964 PWs) bands (ev): -8.4135 -8.4135 -8.3903 -8.3903 -8.3378 -8.3378 -8.2844 -8.2844 -7.6260 -7.6260 -7.5941 -7.5941 -7.5316 -7.5316 -7.4557 -7.4557 -7.3951 -7.3951 -7.3852 -7.3852 -5.6172 -5.6172 -5.0664 -5.0664 -5.0251 -5.0251 0.8321 0.8321 0.9270 0.9270 2.6503 2.6503 2.7139 2.7139 3.4652 3.4652 3.6908 3.6908 4.9175 4.9175 5.1007 5.1007 5.7935 5.7935 7.9183 7.9183 8.4937 8.4937 10.8117 10.8117 12.0591 12.0591 k = 0.2704 0.4684-0.0000 ( 3966 PWs) bands (ev): -8.4145 -8.4145 -8.3895 -8.3895 -8.3352 -8.3352 -8.2845 -8.2845 -7.6267 -7.6267 -7.5929 -7.5929 -7.5283 -7.5283 -7.4556 -7.4556 -7.3954 -7.3954 -7.3854 -7.3854 -5.6511 -5.6511 -5.0802 -5.0802 -5.0262 -5.0262 0.8498 0.8498 0.9345 0.9345 2.6457 2.6457 2.7547 2.7547 3.5347 3.5347 3.7406 3.7406 4.8741 4.8741 5.0814 5.0814 5.8306 5.8306 7.9168 7.9168 8.5305 8.5305 10.8538 10.8538 11.9954 11.9954 k = 0.2642 0.4575-0.0000 ( 3962 PWs) bands (ev): -8.4152 -8.4152 -8.3885 -8.3885 -8.3326 -8.3326 -8.2845 -8.2845 -7.6274 -7.6274 -7.5915 -7.5915 -7.5248 -7.5248 -7.4556 -7.4556 -7.3957 -7.3957 -7.3856 -7.3856 -5.6871 -5.6871 -5.0962 -5.0962 -5.0286 -5.0286 0.8715 0.8715 0.9430 0.9430 2.6435 2.6435 2.8023 2.8023 3.6053 3.6053 3.7917 3.7917 4.8322 4.8322 5.0615 5.0615 5.8673 5.8673 7.9187 7.9187 8.5677 8.5677 10.8964 10.8964 11.9309 11.9309 k = 0.2579 0.4466-0.0000 ( 3970 PWs) bands (ev): -8.4158 -8.4158 -8.3873 -8.3873 -8.3301 -8.3301 -8.2846 -8.2846 -7.6279 -7.6279 -7.5899 -7.5899 -7.5214 -7.5214 -7.4556 -7.4556 -7.3961 -7.3961 -7.3858 -7.3858 -5.7247 -5.7247 -5.1141 -5.1141 -5.0325 -5.0325 0.8972 0.8972 0.9527 0.9527 2.6462 2.6462 2.8538 2.8538 3.6766 3.6766 3.8436 3.8436 4.7930 4.7930 5.0417 5.0417 5.9033 5.9033 7.9237 7.9237 8.6054 8.6054 10.9382 10.9382 11.8661 11.8661 k = 0.2516 0.4357-0.0000 ( 3968 PWs) bands (ev): -8.4160 -8.4160 -8.3859 -8.3859 -8.3277 -8.3277 -8.2846 -8.2846 -7.6283 -7.6283 -7.5881 -7.5881 -7.5179 -7.5179 -7.4555 -7.4555 -7.3965 -7.3965 -7.3861 -7.3861 -5.7639 -5.7639 -5.1340 -5.1340 -5.0381 -5.0381 0.9268 0.9268 0.9639 0.9639 2.6546 2.6546 2.9079 2.9079 3.7486 3.7486 3.8959 3.8959 4.7571 4.7571 5.0223 5.0223 5.9382 5.9382 7.9315 7.9315 8.6435 8.6435 10.9781 10.9781 11.8016 11.8016 k = 0.2453 0.4248-0.0000 ( 3972 PWs) bands (ev): -8.4160 -8.4160 -8.3843 -8.3843 -8.3254 -8.3254 -8.2847 -8.2847 -7.6285 -7.6285 -7.5862 -7.5862 -7.5144 -7.5144 -7.4555 -7.4555 -7.3970 -7.3970 -7.3865 -7.3865 -5.8043 -5.8043 -5.1558 -5.1558 -5.0455 -5.0455 0.9598 0.9598 0.9769 0.9769 2.6688 2.6688 2.9637 2.9637 3.8209 3.8209 3.9479 3.9479 4.7256 4.7256 5.0040 5.0040 5.9717 5.9717 7.9420 7.9420 8.6820 8.6820 11.0144 11.0144 11.7381 11.7381 k = 0.2390 0.4139-0.0000 ( 3962 PWs) bands (ev): -8.4158 -8.4158 -8.3825 -8.3825 -8.3232 -8.3232 -8.2849 -8.2849 -7.6285 -7.6285 -7.5841 -7.5841 -7.5109 -7.5109 -7.4555 -7.4555 -7.3975 -7.3975 -7.3870 -7.3870 -5.8457 -5.8457 -5.1793 -5.1793 -5.0547 -5.0547 0.9875 0.9875 1.0002 1.0002 2.6890 2.6890 3.0205 3.0205 3.8932 3.8932 3.9991 3.9991 4.6993 4.6993 4.9876 4.9876 6.0038 6.0038 7.9549 7.9549 8.7208 8.7208 11.0454 11.0454 11.6765 11.6765 k = 0.2327 0.4031-0.0000 ( 3966 PWs) bands (ev): -8.4152 -8.4152 -8.3805 -8.3805 -8.3212 -8.3212 -8.2850 -8.2850 -7.6284 -7.6284 -7.5819 -7.5819 -7.5075 -7.5075 -7.4555 -7.4555 -7.3981 -7.3981 -7.3875 -7.3875 -5.8880 -5.8880 -5.2046 -5.2046 -5.0659 -5.0659 1.0037 1.0037 1.0401 1.0401 2.7152 2.7152 3.0776 3.0776 3.9649 3.9649 4.0492 4.0492 4.6789 4.6789 4.9739 4.9739 6.0342 6.0342 7.9701 7.9701 8.7595 8.7595 11.0690 11.0690 11.6182 11.6182 k = 0.2264 0.3922-0.0000 ( 3970 PWs) bands (ev): -8.4143 -8.4143 -8.3783 -8.3783 -8.3192 -8.3192 -8.2851 -8.2851 -7.6281 -7.6281 -7.5794 -7.5794 -7.5041 -7.5041 -7.4556 -7.4556 -7.3988 -7.3988 -7.3881 -7.3881 -5.9309 -5.9309 -5.2314 -5.2314 -5.0789 -5.0789 1.0199 1.0199 1.0846 1.0846 2.7475 2.7475 3.1344 3.1344 4.0347 4.0347 4.0982 4.0982 4.6654 4.6654 4.9638 4.9638 6.0627 6.0627 7.9874 7.9874 8.7978 8.7978 11.0828 11.0828 11.5648 11.5648 k = 0.2201 0.3813-0.0000 ( 3968 PWs) bands (ev): -8.4131 -8.4131 -8.3759 -8.3759 -8.3173 -8.3173 -8.2853 -8.2853 -7.6276 -7.6276 -7.5768 -7.5768 -7.5008 -7.5008 -7.4556 -7.4556 -7.3995 -7.3995 -7.3887 -7.3887 -5.9743 -5.9743 -5.2597 -5.2597 -5.0939 -5.0939 1.0369 1.0369 1.1326 1.1326 2.7857 2.7857 3.1905 3.1905 4.0988 4.0988 4.1490 4.1490 4.6594 4.6594 4.9583 4.9583 6.0893 6.0893 8.0069 8.0069 8.8355 8.8355 11.0844 11.0844 11.5183 11.5183 k = 0.2138 0.3704-0.0000 ( 3976 PWs) bands (ev): -8.4117 -8.4117 -8.3733 -8.3733 -8.3156 -8.3156 -8.2855 -8.2855 -7.6269 -7.6269 -7.5741 -7.5741 -7.4976 -7.4976 -7.4557 -7.4557 -7.4002 -7.4002 -7.3894 -7.3894 -6.0180 -6.0180 -5.2894 -5.2894 -5.1107 -5.1107 1.0544 1.0544 1.1839 1.1839 2.8298 2.8298 3.2454 3.2454 4.1499 4.1499 4.2077 4.2077 4.6614 4.6614 4.9584 4.9584 6.1137 6.1137 8.0283 8.0283 8.8719 8.8719 11.0722 11.0722 11.4796 11.4796 k = 0.2075 0.3595-0.0000 ( 3976 PWs) bands (ev): -8.4099 -8.4099 -8.3706 -8.3706 -8.3139 -8.3139 -8.2857 -8.2857 -7.6259 -7.6259 -7.5712 -7.5712 -7.4945 -7.4945 -7.4557 -7.4557 -7.4010 -7.4010 -7.3902 -7.3902 -6.0619 -6.0619 -5.3202 -5.3202 -5.1292 -5.1292 1.0721 1.0721 1.2382 1.2382 2.8797 2.8797 3.2989 3.2989 4.1873 4.1873 4.2742 4.2742 4.6717 4.6717 4.9650 4.9650 6.1361 6.1361 8.0518 8.0518 8.9066 8.9066 11.0464 11.0464 11.4484 11.4484 k = 0.2013 0.3486-0.0000 ( 3976 PWs) bands (ev): -8.4079 -8.4079 -8.3677 -8.3677 -8.3124 -8.3124 -8.2859 -8.2859 -7.6248 -7.6248 -7.5681 -7.5681 -7.4915 -7.4915 -7.4558 -7.4558 -7.4019 -7.4019 -7.3911 -7.3911 -6.1058 -6.1058 -5.3521 -5.3521 -5.1495 -5.1495 1.0898 1.0898 1.2953 1.2953 2.9353 2.9353 3.3510 3.3510 4.2151 4.2151 4.3437 4.3437 4.6905 4.6905 4.9786 4.9786 6.1563 6.1563 8.0772 8.0772 8.9389 8.9389 11.0094 11.0094 11.4223 11.4223 k = 0.1950 0.3377-0.0000 ( 3978 PWs) bands (ev): -8.4056 -8.4056 -8.3647 -8.3647 -8.3110 -8.3110 -8.2861 -8.2861 -7.6233 -7.6233 -7.5648 -7.5648 -7.4886 -7.4886 -7.4559 -7.4559 -7.4028 -7.4028 -7.3920 -7.3920 -6.1495 -6.1495 -5.3849 -5.3849 -5.1713 -5.1713 1.1070 1.1070 1.3550 1.3550 2.9964 2.9964 3.4020 3.4020 4.2357 4.2357 4.4139 4.4139 4.7176 4.7176 4.9994 4.9994 6.1743 6.1743 8.1048 8.1048 8.9681 8.9681 10.9646 10.9646 11.3984 11.3984 k = 0.1887 0.3268-0.0000 ( 3974 PWs) bands (ev): -8.4031 -8.4031 -8.3616 -8.3616 -8.3097 -8.3097 -8.2863 -8.2863 -7.6217 -7.6217 -7.5614 -7.5614 -7.4858 -7.4858 -7.4560 -7.4560 -7.4037 -7.4037 -7.3929 -7.3929 -6.1929 -6.1929 -5.4185 -5.4185 -5.1947 -5.1947 1.1234 1.1234 1.4170 1.4170 3.0629 3.0629 3.4522 3.4522 4.2501 4.2501 4.4839 4.4839 4.7525 4.7525 5.0268 5.0268 6.1901 6.1901 8.1344 8.1344 8.9932 8.9932 10.9158 10.9158 11.3738 11.3738 k = 0.1824 0.3159-0.0000 ( 3970 PWs) bands (ev): -8.4003 -8.4003 -8.3583 -8.3583 -8.3085 -8.3085 -8.2866 -8.2866 -7.6198 -7.6198 -7.5578 -7.5578 -7.4832 -7.4832 -7.4562 -7.4562 -7.4047 -7.4047 -7.3939 -7.3939 -6.2359 -6.2359 -5.4527 -5.4527 -5.2194 -5.2194 1.1386 1.1386 1.4809 1.4809 3.1345 3.1345 3.5023 3.5023 4.2597 4.2597 4.5533 4.5533 4.7945 4.7945 5.0603 5.0603 6.2039 6.2039 8.1663 8.1663 9.0133 9.0133 10.8659 10.8659 11.3468 11.3468 k = 0.1761 0.3050-0.0000 ( 3970 PWs) bands (ev): -8.3973 -8.3973 -8.3550 -8.3550 -8.3074 -8.3074 -8.2869 -8.2869 -7.6176 -7.6176 -7.5541 -7.5541 -7.4807 -7.4807 -7.4563 -7.4563 -7.4058 -7.4058 -7.3950 -7.3950 -6.2784 -6.2784 -5.4873 -5.4873 -5.2454 -5.2454 1.1524 1.1524 1.5465 1.5465 3.2112 3.2112 3.5529 3.5529 4.2656 4.2656 4.6220 4.6220 4.8428 4.8428 5.0987 5.0987 6.2156 6.2156 8.2006 8.2006 9.0274 9.0274 10.8172 10.8172 11.3164 11.3164 k = 0.1698 0.2941-0.0000 ( 3972 PWs) bands (ev): -8.3941 -8.3941 -8.3516 -8.3516 -8.3064 -8.3064 -8.2872 -8.2872 -7.6152 -7.6152 -7.5502 -7.5502 -7.4783 -7.4783 -7.4564 -7.4564 -7.4068 -7.4068 -7.3960 -7.3960 -6.3201 -6.3201 -5.5223 -5.5223 -5.2725 -5.2725 1.1644 1.1644 1.6134 1.6134 3.2927 3.2927 3.6048 3.6048 4.2693 4.2693 4.6898 4.6898 4.8964 4.8964 5.1411 5.1411 6.2253 6.2253 8.2373 8.2373 9.0342 9.0342 10.7716 10.7716 11.2826 11.2826 k = 0.1635 0.2832-0.0000 ( 3960 PWs) bands (ev): -8.3907 -8.3907 -8.3482 -8.3482 -8.3055 -8.3055 -8.2875 -8.2875 -7.6125 -7.6125 -7.5461 -7.5461 -7.4761 -7.4761 -7.4565 -7.4565 -7.4079 -7.4079 -7.3972 -7.3972 -6.3611 -6.3611 -5.5575 -5.5575 -5.3006 -5.3006 1.1745 1.1745 1.6811 1.6811 3.3788 3.3788 3.6588 3.6588 4.2719 4.2719 4.7564 4.7564 4.9544 4.9544 5.1862 5.1862 6.2332 6.2332 8.2767 8.2767 9.0327 9.0327 10.7306 10.7306 11.2459 11.2459 k = 0.1572 0.2723-0.0000 ( 3968 PWs) bands (ev): -8.3872 -8.3872 -8.3447 -8.3447 -8.3047 -8.3047 -8.2879 -8.2879 -7.6095 -7.6095 -7.5419 -7.5419 -7.4741 -7.4741 -7.4566 -7.4566 -7.4091 -7.4091 -7.3983 -7.3983 -6.4012 -6.4012 -5.5927 -5.5927 -5.3295 -5.3295 1.1824 1.1824 1.7493 1.7493 3.4692 3.4692 3.7154 3.7154 4.2747 4.2747 4.8217 4.8217 5.0157 5.0157 5.2332 5.2332 6.2394 6.2394 8.3188 8.3188 9.0219 9.0219 10.6949 10.6949 11.2070 11.2070 k = 0.1509 0.2614-0.0000 ( 3958 PWs) bands (ev): -8.3836 -8.3836 -8.3412 -8.3412 -8.3039 -8.3039 -8.2882 -8.2882 -7.6062 -7.6062 -7.5375 -7.5375 -7.4723 -7.4723 -7.4566 -7.4566 -7.4102 -7.4102 -7.3995 -7.3995 -6.4403 -6.4403 -5.6278 -5.6278 -5.3591 -5.3591 1.1882 1.1882 1.8175 1.8175 3.5637 3.5637 3.7754 3.7754 4.2787 4.2787 4.8854 4.8854 5.0794 5.0794 5.2813 5.2813 6.2441 6.2441 8.3640 8.3640 9.0010 9.0010 10.6647 10.6647 11.1675 11.1675 k = 0.1447 0.2505-0.0000 ( 3957 PWs) bands (ev): -8.3798 -8.3798 -8.3377 -8.3377 -8.3033 -8.3033 -8.2886 -8.2886 -7.6027 -7.6027 -7.5331 -7.5331 -7.4707 -7.4707 -7.4566 -7.4566 -7.4114 -7.4114 -7.4007 -7.4007 -6.4784 -6.4784 -5.6627 -5.6627 -5.3891 -5.3891 1.1917 1.1917 1.8852 1.8852 3.6620 3.6620 3.8390 3.8390 4.2850 4.2850 4.9473 4.9473 5.1448 5.1448 5.3296 5.3296 6.2473 6.2473 8.4122 8.4122 8.9694 8.9694 10.6391 10.6391 11.1290 11.1290 k = 0.1384 0.2397-0.0000 ( 3957 PWs) bands (ev): -8.3759 -8.3759 -8.3343 -8.3343 -8.3027 -8.3027 -8.2890 -8.2890 -7.5989 -7.5989 -7.5285 -7.5285 -7.4693 -7.4693 -7.4564 -7.4564 -7.4125 -7.4125 -7.4020 -7.4020 -6.5152 -6.5152 -5.6972 -5.6972 -5.4196 -5.4196 1.1931 1.1931 1.9518 1.9518 3.7638 3.7638 3.9067 3.9067 4.2944 4.2944 5.0071 5.0071 5.2110 5.2110 5.3776 5.3776 6.2493 6.2493 8.4636 8.4636 8.9273 8.9273 10.6165 10.6165 11.0939 11.0939 k = 0.1321 0.2288-0.0000 ( 3949 PWs) bands (ev): -8.3720 -8.3720 -8.3310 -8.3310 -8.3022 -8.3022 -8.2894 -8.2894 -7.5948 -7.5948 -7.5238 -7.5238 -7.4682 -7.4682 -7.4562 -7.4562 -7.4137 -7.4137 -7.4032 -7.4032 -6.5508 -6.5508 -5.7313 -5.7313 -5.4502 -5.4502 1.1924 1.1924 2.0168 2.0168 3.8686 3.8686 3.9786 3.9786 4.3077 4.3077 5.0646 5.0646 5.2772 5.2772 5.4249 5.4249 6.2502 6.2502 8.5182 8.5182 8.8747 8.8747 10.5939 10.5939 11.0648 11.0648 k = 0.1258 0.2179-0.0000 ( 3953 PWs) bands (ev): -8.3680 -8.3680 -8.3278 -8.3278 -8.3018 -8.3018 -8.2898 -8.2898 -7.5905 -7.5905 -7.5191 -7.5191 -7.4673 -7.4673 -7.4558 -7.4558 -7.4148 -7.4148 -7.4045 -7.4045 -6.5851 -6.5851 -5.7647 -5.7647 -5.4809 -5.4809 1.1898 1.1898 2.0797 2.0797 3.9757 3.9757 4.0551 4.0551 4.3258 4.3258 5.1197 5.1197 5.3427 5.3427 5.4710 5.4710 6.2501 6.2501 8.5760 8.5760 8.8125 8.8125 10.5677 10.5677 11.0444 11.0444 k = 0.1195 0.2070-0.0000 ( 3953 PWs) bands (ev): -8.3640 -8.3640 -8.3246 -8.3246 -8.3014 -8.3014 -8.2902 -8.2902 -7.5860 -7.5860 -7.5144 -7.5144 -7.4666 -7.4666 -7.4553 -7.4553 -7.4160 -7.4160 -7.4058 -7.4058 -6.6179 -6.6179 -5.7974 -5.7974 -5.5115 -5.5115 1.1854 1.1854 2.1400 2.1400 4.0837 4.0837 4.1371 4.1371 4.3492 4.3492 5.1724 5.1724 5.4070 5.4070 5.5157 5.5157 6.2493 6.2493 8.6361 8.6361 8.7420 8.7420 10.5345 10.5345 11.0342 11.0342 k = 0.1132 0.1961-0.0000 ( 3957 PWs) bands (ev): -8.3599 -8.3599 -8.3217 -8.3217 -8.3010 -8.3010 -8.2907 -8.2907 -7.5812 -7.5812 -7.5096 -7.5096 -7.4661 -7.4661 -7.4546 -7.4546 -7.4171 -7.4171 -7.4071 -7.4071 -6.6493 -6.6493 -5.8292 -5.8292 -5.5417 -5.5417 1.1796 1.1796 2.1971 2.1971 4.1885 4.1885 4.2276 4.2276 4.3788 4.3788 5.2224 5.2224 5.4692 5.4692 5.5586 5.5586 6.2479 6.2479 8.6567 8.6567 8.7060 8.7060 10.4923 10.4923 11.0325 11.0325 k = 0.1069 0.1852-0.0000 ( 3965 PWs) bands (ev): -8.3559 -8.3559 -8.3189 -8.3189 -8.3007 -8.3007 -8.2911 -8.2911 -7.5762 -7.5762 -7.5049 -7.5049 -7.4658 -7.4658 -7.4539 -7.4539 -7.4182 -7.4182 -7.4084 -7.4084 -6.6792 -6.6792 -5.8600 -5.8600 -5.5716 -5.5716 1.1724 1.1724 2.2506 2.2506 4.2848 4.2848 4.3304 4.3304 4.4159 4.4159 5.2698 5.2698 5.5288 5.5288 5.5998 5.5998 6.2461 6.2461 8.5731 8.5731 8.7694 8.7694 10.4405 10.4405 11.0298 11.0298 k = 0.1006 0.1743-0.0000 ( 3969 PWs) bands (ev): -8.3519 -8.3519 -8.3164 -8.3164 -8.3004 -8.3004 -8.2916 -8.2916 -7.5710 -7.5710 -7.5003 -7.5003 -7.4655 -7.4655 -7.4531 -7.4531 -7.4193 -7.4193 -7.4097 -7.4097 -6.7076 -6.7076 -5.8898 -5.8898 -5.6009 -5.6009 1.1642 1.1642 2.3002 2.3002 4.3750 4.3750 4.4346 4.4346 4.4682 4.4682 5.3146 5.3146 5.5852 5.5852 5.6391 5.6391 6.2439 6.2439 8.4807 8.4807 8.8372 8.8372 10.3798 10.3798 11.0025 11.0025 k = 0.0943 0.1634-0.0000 ( 3971 PWs) bands (ev): -8.3480 -8.3480 -8.3140 -8.3140 -8.3001 -8.3001 -8.2921 -8.2921 -7.5657 -7.5657 -7.4959 -7.4959 -7.4652 -7.4652 -7.4523 -7.4523 -7.4204 -7.4204 -7.4110 -7.4110 -6.7343 -6.7343 -5.9184 -5.9184 -5.6294 -5.6294 1.1553 1.1553 2.3456 2.3456 4.4598 4.4598 4.5066 4.5066 4.5678 4.5678 5.3568 5.3568 5.6376 5.6376 5.6770 5.6770 6.2415 6.2415 8.3828 8.3828 8.9061 8.9061 10.3112 10.3112 10.9419 10.9419 k = 0.0881 0.1525-0.0000 ( 3969 PWs) bands (ev): -8.3441 -8.3441 -8.3119 -8.3119 -8.2998 -8.2998 -8.2926 -8.2926 -7.5602 -7.5602 -7.4919 -7.4919 -7.4648 -7.4648 -7.4514 -7.4514 -7.4215 -7.4215 -7.4122 -7.4122 -6.7594 -6.7594 -5.9457 -5.9457 -5.6570 -5.6570 1.1457 1.1457 2.3867 2.3867 4.5324 4.5324 4.5827 4.5827 4.6839 4.6839 5.3966 5.3966 5.6845 5.6845 5.7145 5.7145 6.2390 6.2390 8.2805 8.2805 8.9744 8.9744 10.2358 10.2358 10.8687 10.8687 k = 0.0818 0.1416-0.0000 ( 3975 PWs) bands (ev): -8.3402 -8.3402 -8.3101 -8.3101 -8.2995 -8.2995 -8.2930 -8.2930 -7.5547 -7.5547 -7.4883 -7.4883 -7.4641 -7.4641 -7.4505 -7.4505 -7.4225 -7.4225 -7.4135 -7.4135 -6.7828 -6.7828 -5.9716 -5.9716 -5.6836 -5.6836 1.1359 1.1359 2.4235 2.4235 4.5976 4.5976 4.6712 4.6712 4.8018 4.8018 5.4339 5.4339 5.7241 5.7241 5.7531 5.7531 6.2363 6.2363 8.1747 8.1747 9.0403 9.0403 10.1548 10.1548 10.7965 10.7965 k = 0.0755 0.1307-0.0000 ( 3965 PWs) bands (ev): -8.3365 -8.3365 -8.3086 -8.3086 -8.2992 -8.2992 -8.2935 -8.2935 -7.5492 -7.5492 -7.4853 -7.4853 -7.4630 -7.4630 -7.4496 -7.4496 -7.4234 -7.4234 -7.4147 -7.4147 -6.8045 -6.8045 -5.9961 -5.9961 -5.7089 -5.7089 1.1259 1.1259 2.4560 2.4560 4.6639 4.6639 4.7634 4.7634 4.9194 4.9194 5.4691 5.4691 5.7568 5.7568 5.7924 5.7924 6.2336 6.2336 8.0662 8.0662 9.1013 9.1013 10.0692 10.0692 10.7320 10.7320 k = 0.0692 0.1198-0.0000 ( 3971 PWs) bands (ev): -8.3329 -8.3329 -8.3073 -8.3073 -8.2989 -8.2989 -8.2939 -8.2939 -7.5437 -7.5437 -7.4831 -7.4831 -7.4614 -7.4614 -7.4487 -7.4487 -7.4244 -7.4244 -7.4159 -7.4159 -6.8246 -6.8246 -6.0189 -6.0189 -5.7329 -5.7329 1.1160 1.1160 2.4844 2.4844 4.7332 4.7332 4.8561 4.8561 5.0356 5.0356 5.5022 5.5022 5.7846 5.7846 5.8304 5.8304 6.2307 6.2307 7.9559 7.9559 9.1546 9.1546 9.9800 9.9800 10.6798 10.6798 k = 0.0629 0.1089-0.0000 ( 3975 PWs) bands (ev): -8.3294 -8.3294 -8.3063 -8.3063 -8.2987 -8.2987 -8.2943 -8.2943 -7.5382 -7.5382 -7.4818 -7.4818 -7.4593 -7.4593 -7.4478 -7.4478 -7.4253 -7.4253 -7.4171 -7.4171 -6.8428 -6.8428 -6.0401 -6.0401 -5.7554 -5.7554 1.1064 1.1064 2.5089 2.5089 4.8054 4.8054 4.9477 4.9477 5.1493 5.1493 5.5337 5.5337 5.8089 5.8089 5.8660 5.8660 6.2276 6.2276 7.8447 7.8447 9.1972 9.1972 9.8887 9.8887 10.6441 10.6441 k = 0.0566 0.0980-0.0000 ( 3971 PWs) bands (ev): -8.3260 -8.3260 -8.3054 -8.3054 -8.2986 -8.2986 -8.2947 -8.2947 -7.5329 -7.5329 -7.4812 -7.4812 -7.4568 -7.4568 -7.4469 -7.4469 -7.4261 -7.4261 -7.4183 -7.4183 -6.8594 -6.8594 -6.0596 -6.0596 -5.7763 -5.7763 1.0972 1.0972 2.5298 2.5298 4.8792 4.8792 5.0371 5.0371 5.2593 5.2593 5.5636 5.5636 5.8303 5.8303 5.8990 5.8990 6.2242 6.2242 7.7335 7.7335 9.2264 9.2264 9.7967 9.7967 10.6284 10.6284 k = 0.0503 0.0871-0.0000 ( 3987 PWs) bands (ev): -8.3228 -8.3228 -8.3048 -8.3048 -8.2987 -8.2987 -8.2950 -8.2950 -7.5277 -7.5277 -7.4812 -7.4812 -7.4541 -7.4541 -7.4459 -7.4459 -7.4269 -7.4269 -7.4194 -7.4194 -6.8742 -6.8742 -6.0773 -6.0773 -5.7953 -5.7953 1.0886 1.0886 2.5475 2.5475 4.9533 4.9533 5.1232 5.1232 5.3639 5.3639 5.5921 5.5921 5.8492 5.8492 5.9297 5.9297 6.2202 6.2202 7.6235 7.6235 9.2410 9.2410 9.7056 9.7056 10.6344 10.6344 k = 0.0440 0.0763-0.0000 ( 3983 PWs) bands (ev): -8.3198 -8.3198 -8.3042 -8.3042 -8.2988 -8.2988 -8.2953 -8.2953 -7.5228 -7.5228 -7.4817 -7.4817 -7.4514 -7.4514 -7.4449 -7.4449 -7.4277 -7.4277 -7.4205 -7.4205 -6.8872 -6.8872 -6.0930 -6.0930 -5.8125 -5.8125 1.0807 1.0807 2.5622 2.5622 5.0255 5.0255 5.2053 5.2053 5.4613 5.4613 5.6191 5.6191 5.8659 5.8659 5.9591 5.9591 6.2156 6.2156 7.5159 7.5159 9.2417 9.2417 9.6174 9.6174 10.6619 10.6619 k = 0.0377 0.0654-0.0000 ( 3979 PWs) bands (ev): -8.3169 -8.3169 -8.3038 -8.3038 -8.2990 -8.2990 -8.2957 -8.2957 -7.5181 -7.5181 -7.4825 -7.4825 -7.4488 -7.4488 -7.4438 -7.4438 -7.4284 -7.4284 -7.4215 -7.4215 -6.8985 -6.8985 -6.1068 -6.1068 -5.8277 -5.8277 1.0737 1.0737 2.5743 2.5743 5.0934 5.0934 5.2827 5.2827 5.5495 5.5495 5.6438 5.6438 5.8808 5.8808 5.9881 5.9881 6.2101 6.2101 7.4123 7.4123 9.2310 9.2310 9.5343 9.5343 10.7080 10.7080 k = 0.0314 0.0545-0.0000 ( 3983 PWs) bands (ev): -8.3142 -8.3142 -8.3034 -8.3034 -8.2994 -8.2994 -8.2962 -8.2962 -7.5138 -7.5138 -7.4836 -7.4836 -7.4466 -7.4466 -7.4426 -7.4426 -7.4291 -7.4291 -7.4226 -7.4226 -6.9080 -6.9080 -6.1186 -6.1186 -5.8407 -5.8407 1.0675 1.0675 2.5841 2.5841 5.1545 5.1545 5.3552 5.3552 5.6260 5.6260 5.6651 5.6651 5.8939 5.8939 6.0182 6.0182 6.2037 6.2037 7.3148 7.3148 9.2129 9.2129 9.4583 9.4583 10.7675 10.7675 k = 0.0252 0.0436-0.0000 ( 3975 PWs) bands (ev): -8.3117 -8.3117 -8.3031 -8.3031 -8.2998 -8.2998 -8.2967 -8.2967 -7.5097 -7.5097 -7.4850 -7.4850 -7.4449 -7.4449 -7.4412 -7.4412 -7.4297 -7.4297 -7.4235 -7.4235 -6.9158 -6.9158 -6.1283 -6.1283 -5.8515 -5.8515 1.0624 1.0624 2.5917 2.5917 5.2063 5.2063 5.4228 5.4228 5.6747 5.6747 5.6954 5.6954 5.9051 5.9051 6.0501 6.0501 6.1968 6.1968 7.2259 7.2259 9.1915 9.1915 9.3918 9.3918 10.8331 10.8331 k = 0.0189 0.0327-0.0000 ( 3983 PWs) bands (ev): -8.3094 -8.3094 -8.3028 -8.3028 -8.3003 -8.3003 -8.2972 -8.2972 -7.5062 -7.5062 -7.4865 -7.4865 -7.4436 -7.4436 -7.4399 -7.4399 -7.4302 -7.4302 -7.4244 -7.4244 -6.9219 -6.9219 -6.1359 -6.1359 -5.8599 -5.8599 1.0584 1.0584 2.5974 2.5974 5.2470 5.2470 5.4850 5.4850 5.6816 5.6816 5.7454 5.7454 5.9137 5.9137 6.0825 6.0825 6.1897 6.1897 7.1491 7.1491 9.1707 9.1707 9.3371 9.3371 10.8952 10.8952 k = 0.0126 0.0218-0.0000 ( 3987 PWs) bands (ev): -8.3074 -8.3074 -8.3026 -8.3026 -8.3010 -8.3010 -8.2977 -8.2977 -7.5031 -7.5031 -7.4881 -7.4881 -7.4427 -7.4427 -7.4387 -7.4387 -7.4306 -7.4306 -7.4251 -7.4251 -6.9262 -6.9262 -6.1414 -6.1414 -5.8660 -5.8660 1.0554 1.0554 2.6013 2.6013 5.2760 5.2760 5.5409 5.5409 5.6758 5.6758 5.7843 5.7843 5.9188 5.9188 6.1117 6.1117 6.1837 6.1837 7.0888 7.0888 9.1537 9.1537 9.2961 9.2961 10.9428 10.9428 k = 0.0063 0.0109-0.0000 ( 3987 PWs) bands (ev): -8.3058 -8.3058 -8.3025 -8.3025 -8.3018 -8.3018 -8.2981 -8.2981 -7.5008 -7.5008 -7.4895 -7.4895 -7.4422 -7.4422 -7.4378 -7.4378 -7.4309 -7.4309 -7.4256 -7.4256 -6.9288 -6.9288 -6.1447 -6.1447 -5.8697 -5.8697 1.0537 1.0537 2.6036 2.6036 5.2931 5.2931 5.5892 5.5892 5.6582 5.6582 5.8095 5.8095 5.9207 5.9207 6.1320 6.1320 6.1799 6.1799 7.0497 7.0497 9.1427 9.1427 9.2708 9.2708 10.9701 10.9701 k = 0.0000 0.0000 0.0000 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.4999 -7.4999 -7.4901 -7.4901 -7.4420 -7.4420 -7.4375 -7.4375 -7.4310 -7.4310 -7.4258 -7.4258 -6.9297 -6.9297 -6.1458 -6.1458 -5.8709 -5.8709 1.0531 1.0531 2.6044 2.6044 5.2988 5.2988 5.6243 5.6243 5.6336 5.6336 5.8184 5.8184 5.9209 5.9209 6.1392 6.1392 6.1788 6.1788 7.0361 7.0361 9.1389 9.1389 9.2621 9.2621 10.9785 10.9785 k = 0.0000 0.0000 0.0000 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.4999 -7.4999 -7.4901 -7.4901 -7.4420 -7.4420 -7.4375 -7.4375 -7.4310 -7.4310 -7.4258 -7.4258 -6.9297 -6.9297 -6.1458 -6.1458 -5.8709 -5.8709 1.0531 1.0531 2.6044 2.6044 5.2988 5.2988 5.6243 5.6243 5.6336 5.6336 5.8184 5.8184 5.9209 5.9209 6.1392 6.1392 6.1788 6.1788 7.0361 7.0361 9.1389 9.1389 9.2621 9.2621 10.9785 10.9785 k = 0.0000 0.0000 0.0123 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.4999 -7.4999 -7.4901 -7.4901 -7.4420 -7.4420 -7.4375 -7.4375 -7.4310 -7.4310 -7.4258 -7.4258 -6.9293 -6.9293 -6.1484 -6.1484 -5.8686 -5.8686 1.0503 1.0503 2.6097 2.6097 5.2980 5.2980 5.6248 5.6248 5.6334 5.6334 5.8170 5.8170 5.9215 5.9215 6.1388 6.1388 6.1652 6.1652 7.0512 7.0512 9.1372 9.1372 9.2614 9.2614 10.9778 10.9778 k = 0.0000 0.0000 0.0246 ( 3985 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.4999 -7.4999 -7.4901 -7.4901 -7.4420 -7.4420 -7.4375 -7.4375 -7.4310 -7.4310 -7.4258 -7.4258 -6.9280 -6.9280 -6.1561 -6.1561 -5.8617 -5.8617 1.0423 1.0423 2.6255 2.6255 5.2958 5.2958 5.6264 5.6264 5.6329 5.6329 5.8123 5.8123 5.9230 5.9230 6.1277 6.1277 6.1378 6.1378 7.0938 7.0938 9.1318 9.1318 9.2592 9.2592 10.9758 10.9758 k = 0.0000 0.0000 0.0369 ( 3997 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5000 -7.5000 -7.4901 -7.4901 -7.4420 -7.4420 -7.4375 -7.4375 -7.4310 -7.4310 -7.4258 -7.4258 -6.9260 -6.9260 -6.1680 -6.1680 -5.8513 -5.8513 1.0295 1.0295 2.6512 2.6512 5.2921 5.2921 5.6290 5.6290 5.6321 5.6321 5.8034 5.8034 5.9256 5.9256 6.0742 6.0742 6.1360 6.1360 7.1571 7.1571 9.1227 9.1227 9.2557 9.2557 10.9725 10.9725 k = 0.0000 0.0000 0.0492 ( 4009 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5000 -7.5000 -7.4901 -7.4901 -7.4420 -7.4420 -7.4376 -7.4376 -7.4310 -7.4310 -7.4258 -7.4258 -6.9232 -6.9232 -6.1829 -6.1829 -5.8383 -5.8383 1.0126 1.0126 2.6858 2.6858 5.2864 5.2864 5.6310 5.6310 5.6322 5.6322 5.7881 5.7881 5.9291 5.9291 6.0140 6.0140 6.1334 6.1334 7.2347 7.2347 9.1095 9.1095 9.2513 9.2513 10.9681 10.9681 k = 0.0000 0.0000 0.0615 ( 3997 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5000 -7.5000 -7.4900 -7.4900 -7.4420 -7.4420 -7.4376 -7.4376 -7.4310 -7.4310 -7.4258 -7.4258 -6.9197 -6.9197 -6.2000 -6.2000 -5.8236 -5.8236 0.9926 0.9926 2.7283 2.7283 5.2785 5.2785 5.6297 5.6297 5.6354 5.6354 5.7628 5.7628 5.9335 5.9335 5.9574 5.9574 6.1303 6.1303 7.3213 7.3213 9.0921 9.0921 9.2462 9.2462 10.9628 10.9628 k = 0.0000 0.0000 0.0738 ( 3997 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5000 -7.5000 -7.4900 -7.4900 -7.4420 -7.4420 -7.4376 -7.4376 -7.4310 -7.4310 -7.4258 -7.4258 -6.9155 -6.9155 -6.2184 -6.2184 -5.8082 -5.8082 0.9704 0.9704 2.7772 2.7772 5.2676 5.2676 5.6283 5.6283 5.6364 5.6364 5.7255 5.7255 5.9131 5.9131 5.9387 5.9387 6.1265 6.1265 7.4132 7.4132 9.0703 9.0703 9.2409 9.2409 10.9568 10.9568 k = 0.0000 0.0000 0.0861 ( 3985 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5001 -7.5001 -7.4900 -7.4900 -7.4419 -7.4419 -7.4376 -7.4376 -7.4310 -7.4310 -7.4259 -7.4259 -6.9109 -6.9109 -6.2373 -6.2373 -5.7926 -5.7926 0.9470 0.9470 2.8314 2.8314 5.2525 5.2525 5.6245 5.6245 5.6267 5.6267 5.6887 5.6887 5.8830 5.8830 5.9446 5.9446 6.1220 6.1220 7.5080 7.5080 9.0438 9.0438 9.2355 9.2355 10.9503 10.9503 k = 0.0000 0.0000 0.0984 ( 3979 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5001 -7.5001 -7.4900 -7.4900 -7.4419 -7.4419 -7.4376 -7.4376 -7.4310 -7.4310 -7.4259 -7.4259 -6.9058 -6.9058 -6.2562 -6.2562 -5.7773 -5.7773 0.9233 0.9233 2.8892 2.8892 5.2315 5.2315 5.5833 5.5833 5.6251 5.6251 5.6772 5.6772 5.8628 5.8628 5.9510 5.9510 6.1171 6.1171 7.6040 7.6040 9.0127 9.0127 9.2302 9.2302 10.9436 10.9436 k = 0.0000 0.0000 0.1108 ( 3979 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5001 -7.5001 -7.4899 -7.4899 -7.4419 -7.4419 -7.4376 -7.4376 -7.4310 -7.4310 -7.4259 -7.4259 -6.9005 -6.9005 -6.2746 -6.2746 -5.7628 -5.7628 0.9001 0.9001 2.9492 2.9492 5.2028 5.2028 5.5320 5.5320 5.6234 5.6234 5.6803 5.6803 5.8477 5.8477 5.9580 5.9580 6.1117 6.1117 7.6997 7.6997 8.9771 8.9771 9.2253 9.2253 10.9369 10.9369 k = 0.0000 0.0000 0.1231 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5001 -7.5001 -7.4899 -7.4899 -7.4419 -7.4419 -7.4376 -7.4376 -7.4310 -7.4310 -7.4259 -7.4259 -6.8951 -6.8951 -6.2920 -6.2920 -5.7493 -5.7493 0.8781 0.8781 3.0096 3.0096 5.1651 5.1651 5.4867 5.4867 5.6219 5.6219 5.6872 5.6872 5.8352 5.8352 5.9653 5.9653 6.1058 6.1058 7.7941 7.7941 8.9372 8.9372 9.2207 9.2207 10.9305 10.9305 k = 0.0000 0.0000 0.1354 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3021 -8.3021 -8.2982 -8.2982 -7.5002 -7.5002 -7.4899 -7.4899 -7.4419 -7.4419 -7.4376 -7.4376 -7.4310 -7.4310 -7.4259 -7.4259 -6.8899 -6.8899 -6.3081 -6.3081 -5.7372 -5.7372 0.8578 0.8578 3.0688 3.0688 5.1196 5.1196 5.4517 5.4517 5.6204 5.6204 5.6957 5.6957 5.8239 5.8239 5.9727 5.9727 6.0997 6.0997 7.8860 7.8860 8.8936 8.8936 9.2166 9.2166 10.9244 10.9244 k = 0.0000 0.0000 0.1477 ( 3991 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4899 -7.4899 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4259 -7.4259 -6.8849 -6.8849 -6.3224 -6.3224 -5.7267 -5.7267 0.8399 0.8399 3.1247 3.1247 5.0700 5.0700 5.4267 5.4267 5.6191 5.6191 5.7050 5.7050 5.8132 5.8132 5.9801 5.9801 6.0935 6.0935 7.9743 7.9743 8.8468 8.8468 9.2130 9.2130 10.9190 10.9190 k = 0.0000 0.0000 0.1600 ( 3979 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4259 -7.4259 -6.8804 -6.8804 -6.3346 -6.3346 -5.7178 -5.7178 0.8247 0.8247 3.1752 3.1752 5.0209 5.0209 5.4096 5.4096 5.6180 5.6180 5.7148 5.7148 5.8028 5.8028 5.9873 5.9873 6.0874 6.0874 8.0575 8.0575 8.7981 8.7981 9.2099 9.2099 10.9144 10.9144 k = 0.0000 0.0000 0.1723 ( 3966 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4259 -7.4259 -6.8767 -6.8767 -6.3445 -6.3445 -5.7108 -5.7108 0.8126 0.8126 3.2179 3.2179 4.9773 4.9773 5.3982 5.3982 5.6171 5.6171 5.7247 5.7247 5.7926 5.7926 5.9938 5.9938 6.0818 6.0818 8.1330 8.1330 8.7496 8.7496 9.2076 9.2076 10.9106 10.9106 k = 0.0000 0.0000 0.1846 ( 3984 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4260 -7.4260 -6.8738 -6.8738 -6.3518 -6.3518 -5.7057 -5.7057 0.8037 0.8037 3.2505 3.2505 4.9430 4.9430 5.3909 5.3909 5.6164 5.6164 5.7345 5.7345 5.7827 5.7827 5.9992 5.9992 6.0770 6.0770 8.1970 8.1970 8.7052 8.7052 9.2058 9.2058 10.9079 10.9079 k = 0.0000 0.0000 0.1969 ( 3984 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4260 -7.4260 -6.8721 -6.8721 -6.3562 -6.3562 -5.7026 -5.7026 0.7983 0.7983 3.2711 3.2711 4.9211 4.9211 5.3869 5.3869 5.6160 5.6160 5.7433 5.7433 5.7740 5.7740 6.0029 6.0029 6.0737 6.0737 8.2422 8.2422 8.6717 8.6717 9.2048 9.2048 10.9062 10.9062 k = 0.0000 0.0000 0.2092 ( 3960 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4260 -7.4260 -6.8715 -6.8715 -6.3577 -6.3577 -5.7016 -5.7016 0.7965 0.7965 3.2782 3.2782 4.9136 4.9136 5.3856 5.3856 5.6159 5.6159 5.7477 5.7477 5.7696 5.7696 6.0042 6.0042 6.0725 6.0725 8.2590 8.2590 8.6588 8.6588 9.2044 9.2044 10.9056 10.9056 k = 0.0000 0.0000 0.2092 ( 3960 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4260 -7.4260 -6.8715 -6.8715 -6.3577 -6.3577 -5.7016 -5.7016 0.7965 0.7965 3.2782 3.2782 4.9136 4.9136 5.3856 5.3856 5.6159 5.6159 5.7477 5.7477 5.7696 5.7696 6.0042 6.0042 6.0725 6.0725 8.2590 8.2590 8.6588 8.6588 9.2044 9.2044 10.9056 10.9056 k = 0.0109 0.0063 0.2092 ( 3976 PWs) bands (ev): -8.3058 -8.3058 -8.3025 -8.3025 -8.3017 -8.3017 -8.2981 -8.2981 -7.5011 -7.5011 -7.4893 -7.4893 -7.4421 -7.4421 -7.4379 -7.4379 -7.4308 -7.4308 -7.4258 -7.4258 -6.8706 -6.8706 -6.3566 -6.3566 -5.7004 -5.7004 0.7974 0.7974 3.2745 3.2745 4.9135 4.9135 5.3829 5.3829 5.6065 5.6065 5.7428 5.7428 5.7726 5.7726 5.9996 5.9996 6.0697 6.0697 8.2629 8.2629 8.6653 8.6653 9.2124 9.2124 10.9009 10.9009 k = 0.0217 0.0126 0.2092 ( 3984 PWs) bands (ev): -8.3074 -8.3074 -8.3026 -8.3026 -8.3010 -8.3010 -8.2977 -8.2977 -7.5033 -7.5033 -7.4880 -7.4880 -7.4427 -7.4427 -7.4387 -7.4387 -7.4306 -7.4306 -7.4252 -7.4252 -6.8680 -6.8680 -6.3530 -6.3530 -5.6970 -5.6970 0.8001 0.8001 3.2637 3.2637 4.9133 4.9133 5.3747 5.3747 5.5807 5.5807 5.7281 5.7281 5.7791 5.7791 5.9865 5.9865 6.0619 6.0619 8.2744 8.2744 8.6842 8.6842 9.2360 9.2360 10.8851 10.8851 k = 0.0326 0.0188 0.2092 ( 3984 PWs) bands (ev): -8.3094 -8.3094 -8.3028 -8.3028 -8.3003 -8.3003 -8.2972 -8.2972 -7.5063 -7.5063 -7.4865 -7.4865 -7.4436 -7.4436 -7.4398 -7.4398 -7.4302 -7.4302 -7.4245 -7.4245 -6.8637 -6.8637 -6.3472 -6.3472 -5.6913 -5.6913 0.8046 0.8046 3.2458 3.2458 4.9125 4.9125 5.3607 5.3607 5.5428 5.5428 5.7041 5.7041 5.7840 5.7840 5.9656 5.9656 6.0513 6.0513 8.2932 8.2932 8.7140 8.7140 9.2743 9.2743 10.8555 10.8555 k = 0.0435 0.0251 0.2092 ( 3986 PWs) bands (ev): -8.3117 -8.3117 -8.3031 -8.3031 -8.2998 -8.2998 -8.2967 -8.2967 -7.5099 -7.5099 -7.4850 -7.4850 -7.4450 -7.4450 -7.4412 -7.4412 -7.4297 -7.4297 -7.4236 -7.4236 -6.8577 -6.8577 -6.3390 -6.3390 -5.6834 -5.6834 0.8109 0.8109 3.2208 3.2208 4.9108 4.9108 5.3399 5.3399 5.4962 5.4962 5.6719 5.6719 5.7836 5.7836 5.9377 5.9377 6.0412 6.0412 8.3186 8.3186 8.7519 8.7519 9.3258 9.3258 10.8125 10.8125 k = 0.0543 0.0314 0.2092 ( 3986 PWs) bands (ev): -8.3142 -8.3142 -8.3034 -8.3034 -8.2993 -8.2993 -8.2962 -8.2962 -7.5139 -7.5139 -7.4837 -7.4837 -7.4468 -7.4468 -7.4425 -7.4425 -7.4291 -7.4291 -7.4226 -7.4226 -6.8500 -6.8500 -6.3286 -6.3286 -5.6734 -5.6734 0.8189 0.8189 3.1890 3.1890 4.9071 4.9071 5.3104 5.3104 5.4442 5.4442 5.6331 5.6331 5.7754 5.7754 5.9036 5.9036 6.0344 6.0344 8.3498 8.3498 8.7947 8.7947 9.3884 9.3884 10.7622 10.7622 k = 0.0652 0.0377 0.2092 ( 3986 PWs) bands (ev): -8.3169 -8.3169 -8.3038 -8.3038 -8.2988 -8.2988 -8.2959 -8.2959 -7.5183 -7.5183 -7.4826 -7.4826 -7.4490 -7.4490 -7.4438 -7.4438 -7.4284 -7.4284 -7.4215 -7.4215 -6.8405 -6.8405 -6.3159 -6.3159 -5.6613 -5.6613 0.8286 0.8286 3.1505 3.1505 4.9000 4.9000 5.2690 5.2690 5.3912 5.3912 5.5900 5.5900 5.7584 5.7584 5.8656 5.8656 6.0320 6.0320 8.3859 8.3859 8.8384 8.8384 9.4598 9.4598 10.7133 10.7133 k = 0.0761 0.0439 0.2092 ( 3988 PWs) bands (ev): -8.3198 -8.3198 -8.3043 -8.3043 -8.2984 -8.2984 -8.2956 -8.2956 -7.5229 -7.5229 -7.4819 -7.4819 -7.4515 -7.4515 -7.4449 -7.4449 -7.4277 -7.4277 -7.4204 -7.4204 -6.8293 -6.8293 -6.3011 -6.3011 -5.6472 -5.6472 0.8399 0.8399 3.1056 3.1056 4.8872 4.8872 5.2137 5.2137 5.3416 5.3416 5.5448 5.5448 5.7322 5.7322 5.8270 5.8270 6.0334 6.0334 8.4256 8.4256 8.8783 8.8783 9.5375 9.5375 10.6740 10.6740 k = 0.0870 0.0502 0.2092 ( 3994 PWs) bands (ev): -8.3228 -8.3228 -8.3049 -8.3049 -8.2981 -8.2981 -8.2954 -8.2954 -7.5279 -7.5279 -7.4815 -7.4815 -7.4542 -7.4542 -7.4460 -7.4460 -7.4269 -7.4269 -7.4193 -7.4193 -6.8165 -6.8165 -6.2842 -6.2842 -5.6312 -5.6312 0.8529 0.8529 3.0546 3.0546 4.8644 4.8644 5.1484 5.1484 5.2949 5.2949 5.4992 5.4992 5.6978 5.6978 5.7905 5.7905 6.0372 6.0372 8.4677 8.4677 8.9097 8.9097 9.6189 9.6189 10.6515 10.6515 k = 0.0978 0.0565 0.2092 ( 3996 PWs) bands (ev): -8.3261 -8.3261 -8.3056 -8.3056 -8.2978 -8.2978 -8.2953 -8.2953 -7.5331 -7.5331 -7.4817 -7.4817 -7.4568 -7.4568 -7.4470 -7.4470 -7.4261 -7.4261 -7.4182 -7.4182 -6.8020 -6.8020 -6.2653 -6.2653 -5.6134 -5.6134 0.8673 0.8673 2.9979 2.9979 4.8255 4.8255 5.0824 5.0824 5.2478 5.2478 5.4553 5.4553 5.6585 5.6585 5.7565 5.7565 6.0421 6.0421 8.5104 8.5104 8.9287 8.9287 9.7019 9.7019 10.6512 10.6512 k = 0.1087 0.0628 0.2092 ( 3994 PWs) bands (ev): -8.3295 -8.3295 -8.3066 -8.3066 -8.2976 -8.2976 -8.2951 -8.2951 -7.5385 -7.5385 -7.4825 -7.4825 -7.4591 -7.4591 -7.4479 -7.4479 -7.4252 -7.4252 -7.4170 -7.4170 -6.7858 -6.7858 -6.2445 -6.2445 -5.5940 -5.5940 0.8831 0.8831 2.9358 2.9358 4.7647 4.7647 5.0236 5.0236 5.1976 5.1976 5.4148 5.4148 5.6183 5.6183 5.7240 5.7240 6.0474 6.0474 8.5518 8.5518 8.9328 8.9328 9.7848 9.7848 10.6759 10.6759 k = 0.1196 0.0690 0.2092 ( 3992 PWs) bands (ev): -8.3330 -8.3330 -8.3077 -8.3077 -8.2975 -8.2975 -8.2949 -8.2949 -7.5439 -7.5439 -7.4841 -7.4841 -7.4610 -7.4610 -7.4488 -7.4488 -7.4243 -7.4243 -7.4158 -7.4158 -6.7679 -6.7679 -6.2218 -6.2218 -5.5730 -5.5730 0.9003 0.9003 2.8688 2.8688 4.6819 4.6819 4.9722 4.9722 5.1437 5.1437 5.3790 5.3790 5.5805 5.5805 5.6919 5.6919 6.0523 6.0523 8.5885 8.5885 8.9228 8.9228 9.8665 9.8665 10.7257 10.7257 k = 0.1304 0.0753 0.2092 ( 3988 PWs) bands (ev): -8.3367 -8.3367 -8.3091 -8.3091 -8.2974 -8.2974 -8.2946 -8.2946 -7.5495 -7.5495 -7.4866 -7.4866 -7.4624 -7.4624 -7.4496 -7.4496 -7.4233 -7.4233 -7.4145 -7.4145 -6.7485 -6.7485 -6.1974 -6.1974 -5.5506 -5.5506 0.9186 0.9186 2.7975 2.7975 4.5831 4.5831 4.9216 4.9216 5.0882 5.0882 5.3481 5.3481 5.5472 5.5472 5.6599 5.6599 6.0565 6.0565 8.6152 8.6152 8.9040 8.9040 9.9457 9.9457 10.7978 10.7978 k = 0.1413 0.0816 0.2092 ( 3980 PWs) bands (ev): -8.3406 -8.3406 -8.3107 -8.3107 -8.2974 -8.2974 -8.2943 -8.2943 -7.5551 -7.5551 -7.4899 -7.4899 -7.4632 -7.4632 -7.4503 -7.4503 -7.4223 -7.4223 -7.4132 -7.4132 -6.7275 -6.7275 -6.1712 -6.1712 -5.5269 -5.5269 0.9378 0.9378 2.7223 2.7223 4.4742 4.4742 4.8647 4.8647 5.0343 5.0343 5.3214 5.3214 5.5193 5.5193 5.6281 5.6281 6.0598 6.0598 8.6226 8.6226 8.8871 8.8871 10.0213 10.0213 10.8876 10.8876 k = 0.1522 0.0879 0.2092 ( 3984 PWs) bands (ev): -8.3446 -8.3446 -8.3126 -8.3126 -8.2974 -8.2974 -8.2939 -8.2939 -7.5607 -7.5607 -7.4938 -7.4938 -7.4636 -7.4636 -7.4509 -7.4509 -7.4212 -7.4212 -7.4119 -7.4119 -6.7050 -6.7050 -6.1435 -6.1435 -5.5021 -5.5021 0.9579 0.9579 2.6438 2.6438 4.3594 4.3594 4.7980 4.7980 4.9840 4.9840 5.2975 5.2975 5.4969 5.4969 5.5970 5.5970 6.0621 6.0621 8.6011 8.6011 8.8837 8.8837 10.0912 10.0912 10.9899 10.9899 k = 0.1630 0.0941 0.2092 ( 3984 PWs) bands (ev): -8.3486 -8.3486 -8.3148 -8.3148 -8.2974 -8.2974 -8.2935 -8.2935 -7.5662 -7.5662 -7.4981 -7.4981 -7.4638 -7.4638 -7.4515 -7.4515 -7.4200 -7.4200 -7.4106 -7.4106 -6.6810 -6.6810 -6.1143 -6.1143 -5.4764 -5.4764 0.9785 0.9785 2.5626 2.5626 4.2412 4.2412 4.7224 4.7224 4.9370 4.9370 5.2749 5.2749 5.4790 5.4790 5.5682 5.5682 6.0635 6.0635 8.5511 8.5511 8.8958 8.8958 10.1530 10.1530 11.0993 11.0993 k = 0.1739 0.1004 0.2092 ( 3984 PWs) bands (ev): -8.3528 -8.3528 -8.3173 -8.3173 -8.2974 -8.2974 -8.2931 -8.2931 -7.5716 -7.5716 -7.5028 -7.5028 -7.4638 -7.4638 -7.4520 -7.4520 -7.4189 -7.4189 -7.4092 -7.4092 -6.6556 -6.6556 -6.0837 -6.0837 -5.4498 -5.4498 0.9993 0.9993 2.4794 2.4794 4.1212 4.1212 4.6404 4.6404 4.8917 4.8917 5.2525 5.2525 5.4625 5.4625 5.5446 5.5446 6.0638 6.0638 8.4813 8.4813 8.9167 8.9167 10.2042 10.2042 11.2106 11.2106 k = 0.1848 0.1067 0.2092 ( 3976 PWs) bands (ev): -8.3572 -8.3572 -8.3200 -8.3200 -8.2973 -8.2973 -8.2926 -8.2926 -7.5769 -7.5769 -7.5076 -7.5076 -7.4636 -7.4636 -7.4525 -7.4525 -7.4176 -7.4176 -7.4077 -7.4077 -6.6288 -6.6288 -6.0518 -6.0518 -5.4225 -5.4225 1.0200 1.0200 2.3949 2.3949 4.0007 4.0007 4.5544 4.5544 4.8471 4.8471 5.2296 5.2296 5.4428 5.4428 5.5301 5.5301 6.0631 6.0631 8.3995 8.3995 8.9401 8.9401 10.2426 10.2426 11.3188 11.3188 k = 0.1957 0.1130 0.2092 ( 3972 PWs) bands (ev): -8.3616 -8.3616 -8.3229 -8.3229 -8.2971 -8.2971 -8.2922 -8.2922 -7.5820 -7.5820 -7.5126 -7.5126 -7.4635 -7.4635 -7.4529 -7.4529 -7.4164 -7.4164 -7.4063 -7.4063 -6.6008 -6.6008 -6.0187 -6.0187 -5.3948 -5.3948 1.0401 1.0401 2.3098 2.3098 3.8804 3.8804 4.4665 4.4665 4.8026 4.8026 5.2058 5.2058 5.4174 5.4174 5.5267 5.5267 6.0616 6.0616 8.3109 8.3109 8.9623 8.9623 10.2671 10.2671 11.4201 11.4201 k = 0.2065 0.1192 0.2092 ( 3972 PWs) bands (ev): -8.3660 -8.3660 -8.3261 -8.3261 -8.2970 -8.2970 -8.2918 -8.2918 -7.5869 -7.5869 -7.5176 -7.5176 -7.4632 -7.4632 -7.4532 -7.4532 -7.4151 -7.4151 -7.4048 -7.4048 -6.5716 -6.5716 -5.9844 -5.9844 -5.3667 -5.3667 1.0591 1.0591 2.2251 2.2251 3.7612 3.7612 4.3780 4.3780 4.7582 4.7582 5.1811 5.1811 5.3877 5.3877 5.5319 5.5319 6.0593 6.0593 8.2183 8.2183 8.9812 8.9812 10.2775 10.2775 11.5128 11.5128 k = 0.2174 0.1255 0.2092 ( 3974 PWs) bands (ev): -8.3706 -8.3706 -8.3294 -8.3294 -8.2968 -8.2968 -8.2914 -8.2914 -7.5916 -7.5916 -7.5226 -7.5226 -7.4630 -7.4630 -7.4535 -7.4535 -7.4138 -7.4138 -7.4033 -7.4033 -6.5412 -6.5412 -5.9492 -5.9492 -5.3384 -5.3384 1.0761 1.0761 2.1415 2.1415 3.6436 3.6436 4.2900 4.2900 4.7138 4.7138 5.1554 5.1554 5.3557 5.3557 5.5428 5.5428 6.0564 6.0564 8.1238 8.1238 8.9956 8.9956 10.2754 10.2754 11.5979 11.5979 k = 0.2283 0.1318 0.2092 ( 3970 PWs) bands (ev): -8.3752 -8.3752 -8.3328 -8.3328 -8.2966 -8.2966 -8.2910 -8.2910 -7.5960 -7.5960 -7.5276 -7.5276 -7.4628 -7.4628 -7.4538 -7.4538 -7.4124 -7.4124 -7.4017 -7.4017 -6.5098 -6.5098 -5.9131 -5.9131 -5.3101 -5.3101 1.0903 1.0903 2.0603 2.0603 3.5281 3.5281 4.2034 4.2034 4.6696 4.6696 5.1287 5.1287 5.3226 5.3226 5.5577 5.5577 6.0529 6.0529 8.0287 8.0287 9.0050 9.0050 10.2627 10.2627 11.6769 11.6769 k = 0.2391 0.1381 0.2092 ( 3958 PWs) bands (ev): -8.3799 -8.3799 -8.3364 -8.3364 -8.2963 -8.2963 -8.2907 -8.2907 -7.6002 -7.6002 -7.5325 -7.5325 -7.4625 -7.4625 -7.4540 -7.4540 -7.4110 -7.4110 -7.4002 -7.4002 -6.4775 -6.4775 -5.8762 -5.8762 -5.2819 -5.2819 1.1004 1.1004 1.9828 1.9828 3.4152 3.4152 4.1189 4.1189 4.6258 4.6258 5.1011 5.1011 5.2891 5.2891 5.5753 5.5753 6.0491 6.0491 7.9340 7.9340 9.0091 9.0091 10.2418 10.2418 11.7498 11.7498 k = 0.2500 0.1443 0.2092 ( 3956 PWs) bands (ev): -8.3846 -8.3846 -8.3400 -8.3400 -8.2961 -8.2961 -8.2903 -8.2903 -7.6042 -7.6042 -7.5373 -7.5373 -7.4623 -7.4623 -7.4541 -7.4541 -7.4096 -7.4096 -7.3987 -7.3987 -6.4444 -6.4444 -5.8387 -5.8387 -5.2540 -5.2540 1.1052 1.1052 1.9103 1.9103 3.3055 3.3055 4.0371 4.0371 4.5826 4.5826 5.0725 5.0725 5.2553 5.2553 5.5947 5.5947 6.0451 6.0451 7.8406 7.8406 9.0078 9.0078 10.2151 10.2151 11.8114 11.8114 k = 0.2609 0.1506 0.2092 ( 3960 PWs) bands (ev): -8.3894 -8.3894 -8.3437 -8.3437 -8.2958 -8.2958 -8.2900 -8.2900 -7.6078 -7.6078 -7.5420 -7.5420 -7.4621 -7.4621 -7.4543 -7.4543 -7.4082 -7.4082 -7.3971 -7.3971 -6.4106 -6.4106 -5.8006 -5.8006 -5.2266 -5.2266 1.1031 1.1031 1.8444 1.8444 3.1993 3.1993 3.9587 3.9587 4.5401 4.5401 5.0429 5.0429 5.2214 5.2214 5.6152 5.6152 6.0410 6.0410 7.7490 7.7490 9.0013 9.0013 10.1846 10.1846 11.8445 11.8445 k = 0.2717 0.1569 0.2092 ( 3960 PWs) bands (ev): -8.3941 -8.3941 -8.3474 -8.3474 -8.2955 -8.2955 -8.2897 -8.2897 -7.6112 -7.6112 -7.5466 -7.5466 -7.4619 -7.4619 -7.4543 -7.4543 -7.4068 -7.4068 -7.3956 -7.3956 -6.3763 -6.3763 -5.7621 -5.7621 -5.1999 -5.1999 1.0924 1.0924 1.7867 1.7867 3.0971 3.0971 3.8843 3.8843 4.4986 4.4986 5.0123 5.0123 5.1873 5.1873 5.6365 5.6365 6.0370 6.0370 7.6599 7.6599 8.9898 8.9898 10.1519 10.1519 11.8537 11.8537 k = 0.2826 0.1632 0.2092 ( 3960 PWs) bands (ev): -8.3988 -8.3988 -8.3511 -8.3511 -8.2952 -8.2952 -8.2895 -8.2895 -7.6144 -7.6144 -7.5510 -7.5510 -7.4617 -7.4617 -7.4544 -7.4544 -7.4054 -7.4054 -7.3941 -7.3941 -6.3415 -6.3415 -5.7233 -5.7233 -5.1739 -5.1739 1.0721 1.0721 1.7381 1.7381 2.9994 2.9994 3.8145 3.8145 4.4581 4.4581 4.9808 4.9808 5.1531 5.1531 5.6579 5.6579 6.0333 6.0333 7.5737 7.5737 8.9739 8.9739 10.1181 10.1181 11.8546 11.8546 k = 0.2935 0.1694 0.2092 ( 3962 PWs) bands (ev): -8.4035 -8.4035 -8.3548 -8.3548 -8.2949 -8.2949 -8.2892 -8.2892 -7.6173 -7.6173 -7.5552 -7.5552 -7.4616 -7.4616 -7.4544 -7.4544 -7.4040 -7.4040 -7.3926 -7.3926 -6.3065 -6.3065 -5.6843 -5.6843 -5.1489 -5.1489 1.0418 1.0418 1.6987 1.6987 2.9066 2.9066 3.7500 3.7500 4.4188 4.4188 4.9481 4.9481 5.1187 5.1187 5.6791 5.6791 6.0302 6.0302 7.4908 7.4908 8.9542 8.9542 10.0842 10.0842 11.8511 11.8511 k = 0.3043 0.1757 0.2092 ( 3966 PWs) bands (ev): -8.4082 -8.4082 -8.3584 -8.3584 -8.2946 -8.2946 -8.2890 -8.2890 -7.6199 -7.6199 -7.5593 -7.5593 -7.4614 -7.4614 -7.4544 -7.4544 -7.4027 -7.4027 -7.3911 -7.3911 -6.2714 -6.2714 -5.6454 -5.6454 -5.1250 -5.1250 1.0022 1.0022 1.6677 1.6677 2.8190 2.8190 3.6913 3.6913 4.3809 4.3809 4.9142 4.9142 5.0842 5.0842 5.6996 5.6996 6.0279 6.0279 7.4116 7.4116 8.9311 8.9311 10.0508 10.0508 11.8446 11.8446 k = 0.3152 0.1820 0.2092 ( 3962 PWs) bands (ev): -8.4127 -8.4127 -8.3620 -8.3620 -8.2942 -8.2942 -8.2888 -8.2888 -7.6223 -7.6223 -7.5632 -7.5632 -7.4613 -7.4613 -7.4543 -7.4543 -7.4013 -7.4013 -7.3897 -7.3897 -6.2364 -6.2364 -5.6065 -5.6065 -5.1023 -5.1023 0.9551 0.9551 1.6431 1.6431 2.7370 2.7370 3.6390 3.6390 4.3445 4.3445 4.8789 4.8789 5.0498 5.0498 5.7192 5.7192 6.0266 6.0266 7.3364 7.3364 8.9055 8.9055 10.0182 10.0182 11.8359 11.8359 k = 0.3261 0.1883 0.2092 ( 3962 PWs) bands (ev): -8.4172 -8.4172 -8.3654 -8.3654 -8.2939 -8.2939 -8.2886 -8.2886 -7.6244 -7.6244 -7.5669 -7.5669 -7.4611 -7.4611 -7.4543 -7.4543 -7.4000 -7.4000 -7.3883 -7.3883 -6.2016 -6.2016 -5.5679 -5.5679 -5.0811 -5.0811 0.9024 0.9024 1.6229 1.6229 2.6609 2.6609 3.5937 3.5937 4.3095 4.3095 4.8418 4.8418 5.0158 5.0158 5.7373 5.7373 6.0266 6.0266 7.2655 7.2655 8.8780 8.8780 9.9868 9.9868 11.8256 11.8256 k = 0.3370 0.1945 0.2092 ( 3960 PWs) bands (ev): -8.4215 -8.4215 -8.3687 -8.3687 -8.2936 -8.2936 -8.2885 -8.2885 -7.6264 -7.6264 -7.5704 -7.5704 -7.4610 -7.4610 -7.4542 -7.4542 -7.3987 -7.3987 -7.3869 -7.3869 -6.1673 -6.1673 -5.5298 -5.5298 -5.0614 -5.0614 0.8464 0.8464 1.6047 1.6047 2.5909 2.5909 3.5560 3.5560 4.2763 4.2763 4.8026 4.8026 4.9825 4.9825 5.7536 5.7536 6.0281 6.0281 7.1989 7.1989 8.8492 8.8492 9.9567 9.9567 11.8143 11.8143 k = 0.3478 0.2008 0.2092 ( 3960 PWs) bands (ev): -8.4257 -8.4257 -8.3719 -8.3719 -8.2933 -8.2933 -8.2884 -8.2884 -7.6281 -7.6281 -7.5738 -7.5738 -7.4609 -7.4609 -7.4541 -7.4541 -7.3974 -7.3974 -7.3856 -7.3856 -6.1337 -6.1337 -5.4922 -5.4922 -5.0434 -5.0434 0.7887 0.7887 1.5870 1.5870 2.5270 2.5270 3.5263 3.5263 4.2447 4.2447 4.7608 4.7608 4.9505 4.9505 5.7679 5.7679 6.0312 6.0312 7.1370 7.1370 8.8198 8.8198 9.9280 9.9280 11.8023 11.8023 k = 0.3587 0.2071 0.2092 ( 3966 PWs) bands (ev): -8.4298 -8.4298 -8.3749 -8.3749 -8.2929 -8.2929 -8.2883 -8.2883 -7.6296 -7.6296 -7.5769 -7.5769 -7.4608 -7.4608 -7.4540 -7.4540 -7.3962 -7.3962 -7.3844 -7.3844 -6.1010 -6.1010 -5.4554 -5.4554 -5.0272 -5.0272 0.7309 0.7309 1.5685 1.5685 2.4691 2.4691 3.5050 3.5050 4.2150 4.2150 4.7161 4.7161 4.9202 4.9202 5.7799 5.7799 6.0360 6.0360 7.0798 7.0798 8.7903 8.7903 9.9009 9.9009 11.7901 11.7901 k = 0.3696 0.2134 0.2092 ( 3968 PWs) bands (ev): -8.4336 -8.4336 -8.3778 -8.3778 -8.2926 -8.2926 -8.2882 -8.2882 -7.6309 -7.6309 -7.5798 -7.5798 -7.4607 -7.4607 -7.4539 -7.4539 -7.3951 -7.3951 -7.3832 -7.3832 -6.0693 -6.0693 -5.4195 -5.4195 -5.0129 -5.0129 0.6742 0.6742 1.5486 1.5486 2.4171 2.4171 3.4922 3.4922 4.1871 4.1871 4.6685 4.6685 4.8919 4.8919 5.7897 5.7897 6.0425 6.0425 7.0273 7.0273 8.7612 8.7612 9.8754 9.8754 11.7780 11.7780 k = 0.3804 0.2196 0.2092 ( 3964 PWs) bands (ev): -8.4372 -8.4372 -8.3805 -8.3805 -8.2923 -8.2923 -8.2882 -8.2882 -7.6321 -7.6321 -7.5825 -7.5825 -7.4606 -7.4606 -7.4538 -7.4538 -7.3940 -7.3940 -7.3821 -7.3821 -6.0390 -6.0390 -5.3847 -5.3847 -5.0005 -5.0005 0.6195 0.6195 1.5273 1.5273 2.3706 2.3706 3.4880 3.4880 4.1610 4.1610 4.6178 4.6178 4.8659 4.8659 5.7974 5.7974 6.0504 6.0504 6.9796 6.9796 8.7331 8.7331 9.8515 9.8515 11.7661 11.7661 k = 0.3913 0.2259 0.2092 ( 3962 PWs) bands (ev): -8.4406 -8.4406 -8.3829 -8.3829 -8.2920 -8.2920 -8.2882 -8.2882 -7.6331 -7.6331 -7.5850 -7.5850 -7.4605 -7.4605 -7.4537 -7.4537 -7.3930 -7.3930 -7.3811 -7.3811 -6.0103 -6.0103 -5.3512 -5.3512 -4.9902 -4.9902 0.5677 0.5677 1.5049 1.5049 2.3291 2.3291 3.4921 3.4921 4.1369 4.1369 4.5644 4.5644 4.8422 4.8422 5.8030 5.8030 6.0594 6.0594 6.9365 6.9365 8.7062 8.7062 9.8295 9.8295 11.7547 11.7547 k = 0.4022 0.2322 0.2092 ( 3956 PWs) bands (ev): -8.4437 -8.4437 -8.3852 -8.3852 -8.2917 -8.2917 -8.2882 -8.2882 -7.6340 -7.6340 -7.5873 -7.5873 -7.4604 -7.4604 -7.4536 -7.4536 -7.3921 -7.3921 -7.3802 -7.3802 -5.9834 -5.9834 -5.3192 -5.3192 -4.9818 -4.9818 0.5194 0.5194 1.4817 1.4817 2.2924 2.2924 3.5043 3.5043 4.1147 4.1147 4.5086 4.5086 4.8208 4.8208 5.8071 5.8071 6.0691 6.0691 6.8981 6.8981 8.6811 8.6811 9.8092 9.8092 11.7440 11.7440 k = 0.4130 0.2385 0.2092 ( 3960 PWs) bands (ev): -8.4466 -8.4466 -8.3873 -8.3873 -8.2914 -8.2914 -8.2882 -8.2882 -7.6347 -7.6347 -7.5893 -7.5893 -7.4603 -7.4603 -7.4535 -7.4535 -7.3912 -7.3912 -7.3793 -7.3793 -5.9585 -5.9585 -5.2890 -5.2890 -4.9755 -4.9755 0.4749 0.4749 1.4586 1.4586 2.2599 2.2599 3.5240 3.5240 4.0944 4.0944 4.4510 4.4510 4.8019 4.8019 5.8098 5.8098 6.0791 6.0791 6.8641 6.8641 8.6578 8.6578 9.7909 9.7909 11.7340 11.7340 k = 0.4239 0.2447 0.2092 ( 3960 PWs) bands (ev): -8.4491 -8.4491 -8.3891 -8.3891 -8.2911 -8.2911 -8.2883 -8.2883 -7.6353 -7.6353 -7.5911 -7.5911 -7.4602 -7.4602 -7.4534 -7.4534 -7.3904 -7.3904 -7.3786 -7.3786 -5.9359 -5.9359 -5.2607 -5.2607 -4.9710 -4.9710 0.4348 0.4348 1.4362 1.4362 2.2315 2.2315 3.5504 3.5504 4.0757 4.0757 4.3922 4.3922 4.7852 4.7852 5.8115 5.8115 6.0889 6.0889 6.8346 6.8346 8.6368 8.6368 9.7745 9.7745 11.7250 11.7250 k = 0.4348 0.2510 0.2092 ( 3960 PWs) bands (ev): -8.4514 -8.4514 -8.3907 -8.3907 -8.2908 -8.2908 -8.2884 -8.2884 -7.6358 -7.6358 -7.5927 -7.5927 -7.4601 -7.4601 -7.4533 -7.4533 -7.3898 -7.3898 -7.3779 -7.3779 -5.9158 -5.9158 -5.2346 -5.2346 -4.9683 -4.9683 0.3995 0.3995 1.4153 1.4153 2.2070 2.2070 3.5829 3.5829 4.0586 4.0586 4.3333 4.3333 4.7709 4.7709 5.8125 5.8125 6.0981 6.0981 6.8093 6.8093 8.6182 8.6182 9.7602 9.7602 11.7170 11.7170 k = 0.4457 0.2573 0.2092 ( 3952 PWs) bands (ev): -8.4533 -8.4533 -8.3921 -8.3921 -8.2905 -8.2905 -8.2885 -8.2885 -7.6362 -7.6362 -7.5941 -7.5941 -7.4600 -7.4600 -7.4533 -7.4533 -7.3892 -7.3892 -7.3774 -7.3774 -5.8984 -5.8984 -5.2112 -5.2112 -4.9673 -4.9673 0.3691 0.3691 1.3965 1.3965 2.1862 2.1862 3.6204 3.6204 4.0425 4.0425 4.2753 4.2753 4.7588 4.7588 5.8129 5.8129 6.1065 6.1065 6.7881 6.7881 8.6021 8.6021 9.7479 9.7479 11.7100 11.7100 k = 0.4565 0.2636 0.2092 ( 3962 PWs) bands (ev): -8.4549 -8.4549 -8.3932 -8.3932 -8.2903 -8.2903 -8.2886 -8.2886 -7.6365 -7.6365 -7.5952 -7.5952 -7.4600 -7.4600 -7.4532 -7.4532 -7.3887 -7.3887 -7.3769 -7.3769 -5.8839 -5.8839 -5.1909 -5.1909 -4.9674 -4.9674 0.3439 0.3439 1.3803 1.3803 2.1691 2.1691 3.6617 3.6617 4.0265 4.0265 4.2203 4.2203 4.7489 4.7489 5.8131 5.8131 6.1137 6.1137 6.7710 6.7710 8.5888 8.5888 9.7378 9.7378 11.7042 11.7042 k = 0.4674 0.2698 0.2092 ( 3956 PWs) bands (ev): -8.4561 -8.4561 -8.3941 -8.3941 -8.2900 -8.2900 -8.2887 -8.2887 -7.6367 -7.6367 -7.5960 -7.5960 -7.4599 -7.4599 -7.4532 -7.4532 -7.3883 -7.3883 -7.3765 -7.3765 -5.8724 -5.8724 -5.1741 -5.1741 -4.9684 -4.9684 0.3241 0.3241 1.3673 1.3673 2.1558 2.1558 3.7052 3.7052 4.0089 4.0089 4.1716 4.1716 4.7413 4.7413 5.8130 5.8130 6.1196 6.1196 6.7577 6.7577 8.5784 8.5784 9.7299 9.7299 11.6997 11.6997 k = 0.4783 0.2761 0.2092 ( 3958 PWs) bands (ev): -8.4570 -8.4570 -8.3947 -8.3947 -8.2898 -8.2898 -8.2889 -8.2889 -7.6369 -7.6369 -7.5967 -7.5967 -7.4599 -7.4599 -7.4532 -7.4532 -7.3881 -7.3881 -7.3763 -7.3763 -5.8641 -5.8641 -5.1614 -5.1614 -4.9698 -4.9698 0.3099 0.3099 1.3578 1.3578 2.1463 2.1463 3.7481 3.7481 3.9878 3.9878 4.1335 4.1335 4.7358 4.7358 5.8129 5.8129 6.1239 6.1239 6.7483 6.7483 8.5708 8.5708 9.7242 9.7242 11.6964 11.6964 k = 0.4891 0.2824 0.2092 ( 3964 PWs) bands (ev): -8.4576 -8.4576 -8.3951 -8.3951 -8.2896 -8.2896 -8.2890 -8.2890 -7.6370 -7.6370 -7.5970 -7.5970 -7.4599 -7.4599 -7.4531 -7.4531 -7.3879 -7.3879 -7.3761 -7.3761 -5.8591 -5.8591 -5.1535 -5.1535 -4.9709 -4.9709 0.3013 0.3013 1.3520 1.3520 2.1406 2.1406 3.7841 3.7841 3.9652 3.9652 4.1104 4.1104 4.7325 4.7325 5.8129 5.8129 6.1265 6.1265 6.7427 6.7427 8.5663 8.5663 9.7208 9.7208 11.6944 11.6944 k = 0.5000 0.2887 0.2092 ( 3960 PWs) bands (ev): -8.4577 -8.4577 -8.3952 -8.3952 -8.2895 -8.2895 -8.2891 -8.2891 -7.6370 -7.6370 -7.5972 -7.5972 -7.4599 -7.4599 -7.4531 -7.4531 -7.3878 -7.3878 -7.3761 -7.3761 -5.8575 -5.8575 -5.1508 -5.1508 -4.9713 -4.9713 0.2985 0.2985 1.3500 1.3500 2.1386 2.1386 3.7999 3.7999 3.9538 3.9538 4.1028 4.1028 4.7315 4.7315 5.8128 5.8128 6.1274 6.1274 6.7409 6.7409 8.5648 8.5648 9.7196 9.7196 11.6937 11.6937 k = 0.5000 0.2887 0.2092 ( 3960 PWs) bands (ev): -8.4577 -8.4577 -8.3952 -8.3952 -8.2895 -8.2895 -8.2891 -8.2891 -7.6370 -7.6370 -7.5972 -7.5972 -7.4599 -7.4599 -7.4531 -7.4531 -7.3878 -7.3878 -7.3761 -7.3761 -5.8575 -5.8575 -5.1508 -5.1508 -4.9713 -4.9713 0.2985 0.2985 1.3500 1.3500 2.1386 2.1386 3.7999 3.7999 3.9538 3.9538 4.1028 4.1028 4.7315 4.7315 5.8128 5.8128 6.1274 6.1274 6.7409 6.7409 8.5648 8.5648 9.7196 9.7196 11.6937 11.6937 k = 0.4938 0.2994 0.2092 ( 3968 PWs) bands (ev): -8.4576 -8.4576 -8.3952 -8.3952 -8.2903 -8.2903 -8.2884 -8.2884 -7.6370 -7.6370 -7.5972 -7.5972 -7.4600 -7.4600 -7.4533 -7.4533 -7.3879 -7.3879 -7.3761 -7.3761 -5.8563 -5.8563 -5.1504 -5.1504 -4.9714 -4.9714 0.2994 0.2994 1.3493 1.3493 2.1397 2.1397 3.7974 3.7974 3.9547 3.9547 4.0979 4.0979 4.7291 4.7291 5.8058 5.8058 6.1242 6.1242 6.7498 6.7498 8.5700 8.5700 9.7278 9.7278 11.6779 11.6779 k = 0.4877 0.3101 0.2092 ( 3972 PWs) bands (ev): -8.4572 -8.4572 -8.3952 -8.3952 -8.2915 -8.2915 -8.2877 -8.2877 -7.6368 -7.6368 -7.5973 -7.5973 -7.4604 -7.4604 -7.4537 -7.4537 -7.3882 -7.3882 -7.3761 -7.3761 -5.8530 -5.8530 -5.1491 -5.1491 -4.9717 -4.9717 0.3022 0.3022 1.3473 1.3473 2.1427 2.1427 3.7902 3.7902 3.9572 3.9572 4.0834 4.0834 4.7221 4.7221 5.7849 5.7849 6.1151 6.1151 6.7760 6.7760 8.5855 8.5855 9.7520 9.7520 11.6359 11.6359 k = 0.4815 0.3208 0.2092 ( 3966 PWs) bands (ev): -8.4565 -8.4565 -8.3951 -8.3951 -8.2928 -8.2928 -8.2870 -8.2870 -7.6366 -7.6366 -7.5975 -7.5975 -7.4613 -7.4613 -7.4543 -7.4543 -7.3886 -7.3886 -7.3762 -7.3762 -5.8475 -5.8475 -5.1470 -5.1470 -4.9721 -4.9721 0.3069 0.3069 1.3438 1.3438 2.1478 2.1478 3.7780 3.7780 3.9608 3.9608 4.0603 4.0603 4.7111 4.7111 5.7503 5.7503 6.1017 6.1017 6.8176 6.8176 8.6105 8.6105 9.7915 9.7915 11.5782 11.5782 k = 0.4753 0.3314 0.2092 ( 3970 PWs) bands (ev): -8.4555 -8.4555 -8.3951 -8.3951 -8.2943 -8.2943 -8.2865 -8.2865 -7.6363 -7.6363 -7.5977 -7.5977 -7.4627 -7.4627 -7.4548 -7.4548 -7.3892 -7.3892 -7.3764 -7.3764 -5.8398 -5.8398 -5.1442 -5.1442 -4.9728 -4.9728 0.3135 0.3135 1.3388 1.3388 2.1549 2.1549 3.7611 3.7611 3.9642 3.9642 4.0308 4.0308 4.6972 4.6972 5.7030 5.7030 6.0853 6.0853 6.8722 6.8722 8.6438 8.6438 9.8451 9.8451 11.5137 11.5137 k = 0.4691 0.3421 0.2092 ( 3970 PWs) bands (ev): -8.4542 -8.4542 -8.3950 -8.3950 -8.2960 -8.2960 -8.2860 -8.2860 -7.6359 -7.6359 -7.5980 -7.5980 -7.4647 -7.4647 -7.4553 -7.4553 -7.3898 -7.3898 -7.3766 -7.3766 -5.8301 -5.8301 -5.1405 -5.1405 -4.9736 -4.9736 0.3218 0.3218 1.3323 1.3323 2.1639 2.1639 3.7393 3.7393 3.9597 3.9597 4.0035 4.0035 4.6815 4.6815 5.6443 5.6443 6.0667 6.0667 6.9374 6.9374 8.6838 8.6838 9.9115 9.9115 11.4482 11.4482 k = 0.4630 0.3528 0.2092 ( 3974 PWs) bands (ev): -8.4527 -8.4527 -8.3950 -8.3950 -8.2978 -8.2978 -8.2856 -8.2856 -7.6354 -7.6354 -7.5984 -7.5984 -7.4674 -7.4674 -7.4556 -7.4556 -7.3904 -7.3904 -7.3769 -7.3769 -5.8184 -5.8184 -5.1361 -5.1361 -4.9747 -4.9747 0.3320 0.3320 1.3241 1.3241 2.1748 2.1748 3.7128 3.7128 3.9291 3.9291 3.9973 3.9973 4.6653 4.6653 5.5756 5.5756 6.0464 6.0464 7.0114 7.0114 8.7286 8.7286 9.9890 9.9890 11.3859 11.3859 k = 0.4568 0.3635 0.2092 ( 3974 PWs) bands (ev): -8.4510 -8.4510 -8.3949 -8.3949 -8.2999 -8.2999 -8.2853 -8.2853 -7.6348 -7.6348 -7.5988 -7.5988 -7.4707 -7.4707 -7.4558 -7.4558 -7.3911 -7.3911 -7.3773 -7.3773 -5.8049 -5.8049 -5.1311 -5.1311 -4.9760 -4.9760 0.3440 0.3440 1.3142 1.3142 2.1875 2.1875 3.6818 3.6818 3.8823 3.8823 4.0037 4.0037 4.6501 4.6501 5.4990 5.4990 6.0241 6.0241 7.0923 7.0923 8.7759 8.7759 10.0757 10.0757 11.3299 11.3299 k = 0.4506 0.3742 0.2092 ( 3966 PWs) bands (ev): -8.4490 -8.4490 -8.3948 -8.3948 -8.3021 -8.3021 -8.2851 -8.2851 -7.6341 -7.6341 -7.5992 -7.5992 -7.4745 -7.4745 -7.4559 -7.4559 -7.3917 -7.3917 -7.3777 -7.3777 -5.7896 -5.7896 -5.1254 -5.1254 -4.9775 -4.9775 0.3577 0.3577 1.3024 1.3024 2.2019 2.2019 3.6466 3.6466 3.8295 3.8295 4.0133 4.0133 4.6369 4.6369 5.4160 5.4160 5.9997 5.9997 7.1785 7.1785 8.8234 8.8234 10.1699 10.1699 11.2830 11.2830 k = 0.4444 0.3849 0.2092 ( 3954 PWs) bands (ev): -8.4467 -8.4467 -8.3947 -8.3947 -8.3045 -8.3045 -8.2849 -8.2849 -7.6334 -7.6334 -7.5996 -7.5996 -7.4787 -7.4787 -7.4560 -7.4560 -7.3922 -7.3922 -7.3782 -7.3782 -5.7727 -5.7727 -5.1192 -5.1192 -4.9793 -4.9793 0.3730 0.3730 1.2886 1.2886 2.2180 2.2180 3.6079 3.6079 3.7734 3.7734 4.0244 4.0244 4.6266 4.6266 5.3284 5.3284 5.9729 5.9729 7.2688 7.2688 8.8685 8.8685 10.2697 10.2697 11.2474 11.2474 k = 0.4383 0.3956 0.2092 ( 3954 PWs) bands (ev): -8.4443 -8.4443 -8.3946 -8.3946 -8.3071 -8.3071 -8.2847 -8.2847 -7.6326 -7.6326 -7.6000 -7.6000 -7.4834 -7.4834 -7.4560 -7.4560 -7.3927 -7.3927 -7.3787 -7.3787 -5.7543 -5.7543 -5.1125 -5.1125 -4.9814 -4.9814 0.3899 0.3899 1.2727 1.2727 2.2355 2.2355 3.5660 3.5660 3.7159 3.7159 4.0360 4.0360 4.6197 4.6197 5.2380 5.2380 5.9435 5.9435 7.3619 7.3619 8.9087 8.9087 10.3733 10.3733 11.2253 11.2253 k = 0.4321 0.4063 0.2092 ( 3954 PWs) bands (ev): -8.4417 -8.4417 -8.3946 -8.3946 -8.3099 -8.3099 -8.2846 -8.2846 -7.6317 -7.6317 -7.6004 -7.6004 -7.4883 -7.4883 -7.4561 -7.4561 -7.3932 -7.3932 -7.3792 -7.3792 -5.7347 -5.7347 -5.1054 -5.1054 -4.9838 -4.9838 0.4084 0.4084 1.2547 1.2547 2.2543 2.2543 3.5215 3.5215 3.6586 3.6586 4.0477 4.0477 4.6164 4.6164 5.1463 5.1463 5.9112 5.9112 7.4566 7.4566 8.9421 8.9421 10.4790 10.4790 11.2181 11.2181 k = 0.4259 0.4170 0.2092 ( 3950 PWs) bands (ev): -8.4390 -8.4390 -8.3945 -8.3945 -8.3128 -8.3128 -8.2845 -8.2845 -7.6308 -7.6308 -7.6008 -7.6008 -7.4934 -7.4934 -7.4561 -7.4561 -7.3935 -7.3935 -7.3798 -7.3798 -5.7140 -5.7140 -5.0981 -5.0981 -4.9864 -4.9864 0.4284 0.4284 1.2346 1.2346 2.2742 2.2742 3.4743 3.4743 3.6034 3.6034 4.0587 4.0587 4.6167 4.6167 5.0551 5.0551 5.8759 5.8759 7.5521 7.5521 8.9670 8.9670 10.5852 10.5852 11.2270 11.2270 k = 0.4198 0.4277 0.2092 ( 3954 PWs) bands (ev): -8.4361 -8.4361 -8.3944 -8.3944 -8.3159 -8.3159 -8.2845 -8.2845 -7.6299 -7.6299 -7.6011 -7.6011 -7.4987 -7.4987 -7.4561 -7.4561 -7.3938 -7.3938 -7.3804 -7.3804 -5.6924 -5.6924 -5.0905 -5.0905 -4.9894 -4.9894 0.4496 0.4496 1.2122 1.2122 2.2948 2.2948 3.4247 3.4247 3.5523 3.5523 4.0682 4.0682 4.6202 4.6202 4.9665 4.9665 5.8377 5.8377 7.6473 7.6473 8.9825 8.9825 10.6902 10.6902 11.2520 11.2520 k = 0.4136 0.4384 0.2092 ( 3956 PWs) bands (ev): -8.4330 -8.4330 -8.3943 -8.3943 -8.3192 -8.3192 -8.2844 -8.2844 -7.6289 -7.6289 -7.6014 -7.6014 -7.5041 -7.5041 -7.4561 -7.4561 -7.3941 -7.3941 -7.3810 -7.3810 -5.6701 -5.6701 -5.0828 -5.0828 -4.9927 -4.9927 0.4722 0.4722 1.1878 1.1878 2.3158 2.3158 3.3731 3.3731 3.5067 3.5067 4.0748 4.0748 4.6260 4.6260 4.8832 4.8832 5.7966 5.7966 7.7416 7.7416 8.9883 8.9883 10.7929 10.7929 11.2927 11.2927 k = 0.4074 0.4491 0.2092 ( 3960 PWs) bands (ev): -8.4300 -8.4300 -8.3942 -8.3942 -8.3225 -8.3225 -8.2844 -8.2844 -7.6279 -7.6279 -7.6015 -7.6015 -7.5094 -7.5094 -7.4561 -7.4561 -7.3942 -7.3942 -7.3816 -7.3816 -5.6473 -5.6473 -5.0751 -5.0751 -4.9962 -4.9962 0.4958 0.4958 1.1614 1.1614 2.3367 2.3367 3.3207 3.3207 3.4672 3.4672 4.0767 4.0767 4.6324 4.6324 4.8090 4.8090 5.7526 5.7526 7.8340 7.8340 8.9849 8.9849 10.8917 10.8917 11.3474 11.3474 k = 0.4012 0.4597 0.2092 ( 3952 PWs) bands (ev): -8.4268 -8.4268 -8.3941 -8.3941 -8.3260 -8.3260 -8.2844 -8.2844 -7.6270 -7.6270 -7.6015 -7.6015 -7.5147 -7.5147 -7.4561 -7.4561 -7.3943 -7.3943 -7.3822 -7.3822 -5.6243 -5.6243 -5.0676 -5.0676 -5.0001 -5.0001 0.5204 0.5204 1.1332 1.1332 2.3570 2.3570 3.2695 3.2695 3.4336 3.4336 4.0718 4.0718 4.6349 4.6349 4.7511 4.7511 5.7059 5.7059 7.9240 7.9240 8.9733 8.9733 10.9857 10.9857 11.4144 11.4144 k = 0.3951 0.4704 0.2092 ( 3954 PWs) bands (ev): -8.4237 -8.4237 -8.3940 -8.3940 -8.3295 -8.3295 -8.2844 -8.2844 -7.6261 -7.6261 -7.6015 -7.6015 -7.5199 -7.5199 -7.4561 -7.4561 -7.3944 -7.3944 -7.3827 -7.3827 -5.6013 -5.6013 -5.0603 -5.0603 -5.0041 -5.0041 0.5459 0.5459 1.1034 1.1034 2.3759 2.3759 3.2215 3.2215 3.4055 3.4055 4.0574 4.0574 4.6242 4.6242 4.7214 4.7214 5.6568 5.6568 8.0110 8.0110 8.9548 8.9548 11.0739 11.0739 11.4911 11.4911 k = 0.3889 0.4811 0.2092 ( 3950 PWs) bands (ev): -8.4206 -8.4206 -8.3938 -8.3938 -8.3331 -8.3331 -8.2844 -8.2844 -7.6252 -7.6252 -7.6013 -7.6013 -7.5249 -7.5249 -7.4561 -7.4561 -7.3944 -7.3944 -7.3832 -7.3832 -5.5787 -5.5787 -5.0535 -5.0535 -5.0082 -5.0082 0.5719 0.5719 1.0724 1.0724 2.3926 2.3926 3.1788 3.1788 3.3822 3.3822 4.0318 4.0318 4.6023 4.6023 4.7200 4.7200 5.6058 5.6058 8.0944 8.0944 8.9306 8.9306 11.1553 11.1553 11.5752 11.5752 k = 0.3827 0.4918 0.2092 ( 3946 PWs) bands (ev): -8.4177 -8.4177 -8.3935 -8.3935 -8.3367 -8.3367 -8.2844 -8.2844 -7.6244 -7.6244 -7.6009 -7.6009 -7.5296 -7.5296 -7.4561 -7.4561 -7.3944 -7.3944 -7.3837 -7.3837 -5.5567 -5.5567 -5.0472 -5.0472 -5.0124 -5.0124 0.5985 0.5985 1.0406 1.0406 2.4063 2.4063 3.1432 3.1432 3.3631 3.3631 3.9948 3.9948 4.5849 4.5849 4.7314 4.7314 5.5533 5.5533 8.1738 8.1738 8.9022 8.9022 11.2291 11.2291 11.6642 11.6642 k = 0.3765 0.5025 0.2092 ( 3948 PWs) bands (ev): -8.4149 -8.4149 -8.3931 -8.3931 -8.3402 -8.3402 -8.2844 -8.2844 -7.6237 -7.6237 -7.6005 -7.6005 -7.5340 -7.5340 -7.4561 -7.4561 -7.3944 -7.3944 -7.3841 -7.3841 -5.5358 -5.5358 -5.0416 -5.0416 -5.0164 -5.0164 0.6253 0.6253 1.0082 1.0082 2.4162 2.4162 3.1165 3.1165 3.3472 3.3472 3.9488 3.9488 4.5785 4.5785 4.7470 4.7470 5.5002 5.5002 8.2488 8.2488 8.8707 8.8707 11.2945 11.2945 11.7559 11.7559 k = 0.3704 0.5132 0.2092 ( 3950 PWs) bands (ev): -8.4125 -8.4125 -8.3926 -8.3926 -8.3436 -8.3436 -8.2845 -8.2845 -7.6230 -7.6230 -7.6000 -7.6000 -7.5379 -7.5379 -7.4561 -7.4561 -7.3943 -7.3943 -7.3844 -7.3844 -5.5162 -5.5162 -5.0371 -5.0371 -5.0198 -5.0198 0.6522 0.6522 0.9758 0.9758 2.4219 2.4219 3.0998 3.0998 3.3335 3.3335 3.8974 3.8974 4.5828 4.5828 4.7633 4.7633 5.4474 5.4474 8.3189 8.3189 8.8371 8.8371 11.3508 11.3508 11.8481 11.8481 k = 0.3642 0.5239 0.2092 ( 3950 PWs) bands (ev): -8.4104 -8.4104 -8.3919 -8.3919 -8.3467 -8.3467 -8.2845 -8.2845 -7.6225 -7.6225 -7.5994 -7.5994 -7.5415 -7.5415 -7.4561 -7.4561 -7.3943 -7.3943 -7.3847 -7.3847 -5.4984 -5.4984 -5.0340 -5.0340 -5.0223 -5.0223 0.6788 0.6788 0.9438 0.9438 2.4235 2.4235 3.0936 3.0936 3.3205 3.3205 3.8451 3.8451 4.5960 4.5960 4.7781 4.7781 5.3966 5.3966 8.3839 8.3839 8.8022 8.8022 11.3972 11.3972 11.9388 11.9388 k = 0.3580 0.5346 0.2092 ( 3950 PWs) bands (ev): -8.4087 -8.4087 -8.3910 -8.3910 -8.3496 -8.3496 -8.2845 -8.2845 -7.6221 -7.6221 -7.5989 -7.5989 -7.5445 -7.5445 -7.4561 -7.4561 -7.3942 -7.3942 -7.3849 -7.3849 -5.4830 -5.4830 -5.0330 -5.0330 -5.0230 -5.0230 0.7051 0.7051 0.9127 0.9127 2.4217 2.4217 3.0979 3.0979 3.3063 3.3063 3.7962 3.7962 4.6158 4.6158 4.7891 4.7891 5.3497 5.3497 8.4435 8.4435 8.7667 8.7667 11.4335 11.4335 12.0260 12.0260 k = 0.3519 0.5453 0.2092 ( 3950 PWs) bands (ev): -8.4075 -8.4075 -8.3900 -8.3900 -8.3521 -8.3521 -8.2845 -8.2845 -7.6217 -7.6217 -7.5984 -7.5984 -7.5469 -7.5469 -7.4562 -7.4562 -7.3942 -7.3942 -7.3851 -7.3851 -5.4702 -5.4702 -5.0333 -5.0333 -5.0226 -5.0226 0.7306 0.7306 0.8829 0.8829 2.4178 2.4178 3.1117 3.1117 3.2887 3.2887 3.7545 3.7545 4.6404 4.6404 4.7937 4.7937 5.3094 5.3094 8.4974 8.4974 8.7311 8.7311 11.4597 11.4597 12.1062 12.1062 k = 0.3457 0.5560 0.2092 ( 3946 PWs) bands (ev): -8.4067 -8.4067 -8.3892 -8.3892 -8.3540 -8.3540 -8.2845 -8.2845 -7.6215 -7.6215 -7.5980 -7.5980 -7.5486 -7.5486 -7.4562 -7.4562 -7.3941 -7.3941 -7.3852 -7.3852 -5.4607 -5.4607 -5.0337 -5.0337 -5.0222 -5.0222 0.7552 0.7552 0.8549 0.8549 2.4131 2.4131 3.1340 3.1340 3.2658 3.2658 3.7233 3.7233 4.6685 4.6685 4.7893 4.7893 5.2787 5.2787 8.5456 8.5456 8.6959 8.6959 11.4766 11.4766 12.1728 12.1728 k = 0.3395 0.5667 0.2092 ( 3946 PWs) bands (ev): -8.4062 -8.4062 -8.3886 -8.3886 -8.3552 -8.3552 -8.2845 -8.2845 -7.6213 -7.6213 -7.5978 -7.5978 -7.5496 -7.5496 -7.4562 -7.4562 -7.3941 -7.3941 -7.3852 -7.3852 -5.4548 -5.4548 -5.0335 -5.0335 -5.0224 -5.0224 0.7781 0.7781 0.8299 0.8299 2.4093 2.4093 3.1632 3.1632 3.2367 3.2367 3.7046 3.7046 4.6978 4.6978 4.7748 4.7748 5.2600 5.2600 8.5874 8.5874 8.6616 8.6616 11.4855 11.4855 12.2139 12.2139 k = 0.3333 0.5774 0.2092 ( 3942 PWs) bands (ev): -8.4061 -8.4061 -8.3884 -8.3884 -8.3556 -8.3556 -8.2845 -8.2845 -7.6213 -7.6213 -7.5977 -7.5977 -7.5500 -7.5500 -7.4562 -7.4562 -7.3941 -7.3941 -7.3852 -7.3852 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7925 0.7925 0.8146 0.8146 2.4078 2.4078 3.1915 3.1915 3.2084 3.2084 3.6986 3.6986 4.7171 4.7171 4.7604 4.7604 5.2539 5.2539 8.6153 8.6153 8.6362 8.6362 11.4881 11.4881 12.2258 12.2258 k = 0.3333 0.5774 0.2092 ( 3942 PWs) bands (ev): -8.4061 -8.4061 -8.3884 -8.3884 -8.3556 -8.3556 -8.2845 -8.2845 -7.6213 -7.6213 -7.5977 -7.5977 -7.5500 -7.5500 -7.4562 -7.4562 -7.3941 -7.3941 -7.3852 -7.3852 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7925 0.7925 0.8146 0.8146 2.4078 2.4078 3.1915 3.1915 3.2084 3.2084 3.6986 3.6986 4.7171 4.7171 4.7604 4.7604 5.2539 5.2539 8.6153 8.6153 8.6362 8.6362 11.4881 11.4881 12.2258 12.2258 k = 0.3270 0.5665 0.2092 ( 3942 PWs) bands (ev): -8.4062 -8.4062 -8.3886 -8.3886 -8.3552 -8.3552 -8.2845 -8.2845 -7.6213 -7.6213 -7.5978 -7.5978 -7.5496 -7.5496 -7.4562 -7.4562 -7.3941 -7.3941 -7.3852 -7.3852 -5.4549 -5.4549 -5.0343 -5.0343 -5.0217 -5.0217 0.7795 0.7795 0.8286 0.8286 2.4097 2.4097 3.1580 3.1580 3.2423 3.2423 3.7043 3.7043 4.6920 4.6920 4.7812 4.7812 5.2595 5.2595 8.5899 8.5899 8.6590 8.6590 11.4861 11.4861 12.2134 12.2134 k = 0.3208 0.5556 0.2092 ( 3948 PWs) bands (ev): -8.4066 -8.4066 -8.3891 -8.3891 -8.3541 -8.3541 -8.2845 -8.2845 -7.6215 -7.6215 -7.5979 -7.5979 -7.5486 -7.5486 -7.4562 -7.4562 -7.3942 -7.3942 -7.3852 -7.3852 -5.4613 -5.4613 -5.0385 -5.0385 -5.0178 -5.0178 0.7625 0.7625 0.8486 0.8486 2.4160 2.4160 3.1147 3.1147 3.2876 3.2876 3.7199 3.7199 4.6450 4.6450 4.8166 4.8166 5.2744 5.2744 8.5575 8.5575 8.6843 8.6843 11.4812 11.4812 12.1741 12.1741 k = 0.3145 0.5447 0.2092 ( 3940 PWs) bands (ev): -8.4071 -8.4071 -8.3898 -8.3898 -8.3523 -8.3523 -8.2845 -8.2845 -7.6218 -7.6218 -7.5980 -7.5980 -7.5471 -7.5471 -7.4561 -7.4561 -7.3942 -7.3942 -7.3851 -7.3851 -5.4718 -5.4718 -5.0453 -5.0453 -5.0121 -5.0121 0.7482 0.7482 0.8683 0.8683 2.4271 2.4271 3.0706 3.0706 3.3366 3.3366 3.7438 3.7438 4.5907 4.5907 4.8549 4.8549 5.2960 5.2960 8.5255 8.5255 8.7046 8.7046 11.4750 11.4750 12.1166 12.1166 k = 0.3082 0.5338 0.2092 ( 3948 PWs) bands (ev): -8.4079 -8.4079 -8.3906 -8.3906 -8.3502 -8.3502 -8.2845 -8.2845 -7.6222 -7.6222 -7.5981 -7.5981 -7.5451 -7.5451 -7.4561 -7.4561 -7.3943 -7.3943 -7.3851 -7.3851 -5.4863 -5.4863 -5.0542 -5.0542 -5.0053 -5.0053 0.7375 0.7375 0.8874 0.8874 2.4432 2.4432 3.0277 3.0277 3.3884 3.3884 3.7741 3.7741 4.5327 4.5327 4.8946 4.8946 5.3222 5.3222 8.4945 8.4945 8.7200 8.7200 11.4686 11.4686 12.0527 12.0527 k = 0.3019 0.5229 0.2092 ( 3960 PWs) bands (ev): -8.4088 -8.4088 -8.3912 -8.3912 -8.3478 -8.3478 -8.2845 -8.2845 -7.6228 -7.6228 -7.5979 -7.5979 -7.5427 -7.5427 -7.4561 -7.4561 -7.3944 -7.3944 -7.3851 -7.3851 -5.5044 -5.5044 -5.0653 -5.0653 -4.9980 -4.9980 0.7306 0.7306 0.9058 0.9058 2.4646 2.4646 2.9871 2.9871 3.4425 3.4425 3.8098 3.8098 4.4735 4.4735 4.9349 4.9349 5.3512 5.3512 8.4647 8.4647 8.7309 8.7309 11.4626 11.4626 11.9880 11.9880 k = 0.2956 0.5120 0.2092 ( 3962 PWs) bands (ev): -8.4099 -8.4099 -8.3915 -8.3915 -8.3453 -8.3453 -8.2845 -8.2845 -7.6234 -7.6234 -7.5977 -7.5977 -7.5400 -7.5400 -7.4561 -7.4561 -7.3945 -7.3945 -7.3850 -7.3850 -5.5259 -5.5259 -5.0784 -5.0784 -4.9906 -4.9906 0.7279 0.7279 0.9238 0.9238 2.4908 2.4908 2.9500 2.9500 3.4982 3.4982 3.8498 3.8498 4.4149 4.4149 4.9756 4.9756 5.3818 5.3818 8.4361 8.4361 8.7377 8.7377 11.4574 11.4574 11.9251 11.9251 k = 0.2893 0.5011 0.2092 ( 3960 PWs) bands (ev): -8.4110 -8.4110 -8.3916 -8.3916 -8.3426 -8.3426 -8.2845 -8.2845 -7.6240 -7.6240 -7.5972 -7.5972 -7.5371 -7.5371 -7.4560 -7.4560 -7.3947 -7.3947 -7.3850 -7.3850 -5.5503 -5.5503 -5.0935 -5.0935 -4.9836 -4.9836 0.7294 0.7294 0.9415 0.9415 2.5215 2.5215 2.9171 2.9171 3.5549 3.5549 3.8934 3.8934 4.3586 4.3586 5.0163 5.0163 5.4132 5.4132 8.4089 8.4089 8.7411 8.7411 11.4531 11.4531 11.8652 11.8652 k = 0.2830 0.4902 0.2092 ( 3960 PWs) bands (ev): -8.4121 -8.4121 -8.3915 -8.3915 -8.3400 -8.3400 -8.2846 -8.2846 -7.6247 -7.6247 -7.5965 -7.5965 -7.5339 -7.5339 -7.4560 -7.4560 -7.3949 -7.3949 -7.3851 -7.3851 -5.5774 -5.5774 -5.1107 -5.1107 -4.9772 -4.9772 0.7353 0.7353 0.9593 0.9593 2.5562 2.5562 2.8889 2.8889 3.6119 3.6119 3.9398 3.9398 4.3063 4.3063 5.0569 5.0569 5.4445 5.4445 8.3832 8.3832 8.7416 8.7416 11.4497 11.4497 11.8090 11.8090 k = 0.2767 0.4793 0.2092 ( 3956 PWs) bands (ev): -8.4130 -8.4130 -8.3911 -8.3911 -8.3373 -8.3373 -8.2846 -8.2846 -7.6254 -7.6254 -7.5956 -7.5956 -7.5306 -7.5306 -7.4559 -7.4559 -7.3951 -7.3951 -7.3852 -7.3852 -5.6070 -5.6070 -5.1299 -5.1299 -4.9719 -4.9719 0.7456 0.7456 0.9772 0.9772 2.5941 2.5941 2.8660 2.8660 3.6682 3.6682 3.9881 3.9881 4.2601 4.2601 5.0970 5.0970 5.4753 5.4753 8.3591 8.3591 8.7400 8.7400 11.4468 11.4468 11.7569 11.7569 k = 0.2704 0.4684 0.2092 ( 3952 PWs) bands (ev): -8.4139 -8.4139 -8.3905 -8.3905 -8.3347 -8.3347 -8.2846 -8.2846 -7.6260 -7.6260 -7.5945 -7.5945 -7.5272 -7.5272 -7.4559 -7.4559 -7.3954 -7.3954 -7.3853 -7.3853 -5.6387 -5.6387 -5.1511 -5.1511 -4.9678 -4.9678 0.7604 0.7604 0.9956 0.9956 2.6343 2.6343 2.8488 2.8488 3.7225 3.7225 4.0370 4.0370 4.2232 4.2232 5.1364 5.1364 5.5049 5.5049 8.3367 8.3367 8.7368 8.7368 11.4440 11.4440 11.7094 11.7094 k = 0.2642 0.4575 0.2092 ( 3954 PWs) bands (ev): -8.4146 -8.4146 -8.3896 -8.3896 -8.3321 -8.3321 -8.2847 -8.2847 -7.6266 -7.6266 -7.5932 -7.5932 -7.5237 -7.5237 -7.4558 -7.4558 -7.3957 -7.3957 -7.3855 -7.3855 -5.6723 -5.6723 -5.1742 -5.1742 -4.9652 -4.9652 0.7798 0.7798 1.0143 1.0143 2.6757 2.6757 2.8380 2.8380 3.7729 3.7729 4.0830 4.0830 4.2014 4.2014 5.1750 5.1750 5.5329 5.5329 8.3164 8.3164 8.7326 8.7326 11.4410 11.4410 11.6667 11.6667 k = 0.2579 0.4466 0.2092 ( 3950 PWs) bands (ev): -8.4150 -8.4150 -8.3885 -8.3885 -8.3297 -8.3297 -8.2847 -8.2847 -7.6270 -7.6270 -7.5918 -7.5918 -7.5202 -7.5202 -7.4558 -7.4558 -7.3961 -7.3961 -7.3857 -7.3857 -5.7076 -5.7076 -5.1992 -5.1992 -4.9643 -4.9643 0.8036 0.8036 1.0336 1.0336 2.7165 2.7165 2.8347 2.8347 3.8165 3.8165 4.1182 4.1182 4.2061 4.2061 5.2126 5.2126 5.5590 5.5590 8.2982 8.2982 8.7281 8.7281 11.4374 11.4374 11.6289 11.6289 k = 0.2516 0.4357 0.2092 ( 3950 PWs) bands (ev): -8.4152 -8.4152 -8.3872 -8.3872 -8.3273 -8.3273 -8.2848 -8.2848 -7.6274 -7.6274 -7.5901 -7.5901 -7.5167 -7.5167 -7.4558 -7.4558 -7.3965 -7.3965 -7.3861 -7.3861 -5.7444 -5.7444 -5.2260 -5.2260 -4.9652 -4.9652 0.8320 0.8320 1.0532 1.0532 2.7541 2.7541 2.8407 2.8407 3.8505 3.8505 4.1416 4.1416 4.2416 4.2416 5.2489 5.2489 5.5829 5.5829 8.2824 8.2824 8.7239 8.7239 11.4327 11.4327 11.5963 11.5963 k = 0.2453 0.4248 0.2092 ( 3962 PWs) bands (ev): -8.4151 -8.4151 -8.3856 -8.3856 -8.3250 -8.3250 -8.2849 -8.2849 -7.6275 -7.6275 -7.5883 -7.5883 -7.5132 -7.5132 -7.4558 -7.4558 -7.3970 -7.3970 -7.3865 -7.3865 -5.7824 -5.7824 -5.2545 -5.2545 -4.9680 -4.9680 0.8647 0.8647 1.0730 1.0730 2.7852 2.7852 2.8584 2.8584 3.8745 3.8745 4.1698 4.1698 4.2924 4.2924 5.2839 5.2839 5.6042 5.6042 8.2690 8.2690 8.7203 8.7203 11.4269 11.4269 11.5687 11.5687 k = 0.2390 0.4139 0.2092 ( 3966 PWs) bands (ev): -8.4148 -8.4148 -8.3839 -8.3839 -8.3228 -8.3228 -8.2850 -8.2850 -7.6276 -7.6276 -7.5863 -7.5863 -7.5097 -7.5097 -7.4558 -7.4558 -7.3975 -7.3975 -7.3869 -7.3869 -5.8215 -5.8215 -5.2845 -5.2845 -4.9728 -4.9728 0.9018 0.9018 1.0928 1.0928 2.8099 2.8099 2.8870 2.8870 3.8923 3.8923 4.2095 4.2095 4.3487 4.3487 5.3174 5.3174 5.6227 5.6227 8.2584 8.2584 8.7180 8.7180 11.4201 11.4201 11.5457 11.5457 k = 0.2327 0.4031 0.2092 ( 3966 PWs) bands (ev): -8.4142 -8.4142 -8.3819 -8.3819 -8.3207 -8.3207 -8.2851 -8.2851 -7.6274 -7.6274 -7.5842 -7.5842 -7.5063 -7.5063 -7.4558 -7.4558 -7.3981 -7.3981 -7.3874 -7.3874 -5.8615 -5.8615 -5.3161 -5.3161 -4.9795 -4.9795 0.9432 0.9432 1.1123 1.1123 2.8332 2.8332 2.9210 2.9210 3.9093 3.9093 4.2588 4.2588 4.4072 4.4072 5.3493 5.3493 5.6382 5.6382 8.2506 8.2506 8.7171 8.7171 11.4125 11.4125 11.5268 11.5268 k = 0.2264 0.3922 0.2092 ( 3962 PWs) bands (ev): -8.4133 -8.4133 -8.3798 -8.3798 -8.3187 -8.3187 -8.2853 -8.2853 -7.6271 -7.6271 -7.5818 -7.5818 -7.5029 -7.5029 -7.4558 -7.4558 -7.3987 -7.3987 -7.3880 -7.3880 -5.9023 -5.9023 -5.3490 -5.3490 -4.9882 -4.9882 0.9888 0.9888 1.1310 1.1310 2.8590 2.8590 2.9563 2.9563 3.9301 3.9301 4.3142 4.3142 4.4668 4.4668 5.3796 5.3796 5.6507 5.6507 8.2458 8.2458 8.7180 8.7180 11.4045 11.4045 11.5111 11.5111 k = 0.2201 0.3813 0.2092 ( 3958 PWs) bands (ev): -8.4121 -8.4121 -8.3774 -8.3774 -8.3169 -8.3169 -8.2854 -8.2854 -7.6266 -7.6266 -7.5793 -7.5793 -7.4996 -7.4996 -7.4558 -7.4558 -7.3994 -7.3994 -7.3887 -7.3887 -5.9436 -5.9436 -5.3832 -5.3832 -4.9990 -4.9990 1.0383 1.0383 1.1487 1.1487 2.8889 2.8889 2.9912 2.9912 3.9577 3.9577 4.3732 4.3732 4.5269 4.5269 5.4081 5.4081 5.6602 5.6602 8.2441 8.2441 8.7209 8.7209 11.3965 11.3965 11.4976 11.4976 k = 0.2138 0.3704 0.2092 ( 3964 PWs) bands (ev): -8.4106 -8.4106 -8.3749 -8.3749 -8.3151 -8.3151 -8.2856 -8.2856 -7.6258 -7.6258 -7.5766 -7.5766 -7.4963 -7.4963 -7.4559 -7.4559 -7.4001 -7.4001 -7.3894 -7.3894 -5.9852 -5.9852 -5.4184 -5.4184 -5.0117 -5.0117 1.0918 1.0918 1.1647 1.1647 2.9237 2.9237 3.0255 3.0255 3.9932 3.9932 4.4343 4.4343 4.5869 4.5869 5.4349 5.4349 5.6666 5.6666 8.2456 8.2456 8.7259 8.7259 11.3885 11.3885 11.4849 11.4849 k = 0.2075 0.3595 0.2092 ( 3960 PWs) bands (ev): -8.4088 -8.4088 -8.3722 -8.3722 -8.3135 -8.3135 -8.2858 -8.2858 -7.6249 -7.6249 -7.5738 -7.5738 -7.4932 -7.4932 -7.4560 -7.4560 -7.4009 -7.4009 -7.3902 -7.3902 -6.0272 -6.0272 -5.4546 -5.4546 -5.0262 -5.0262 1.1490 1.1490 1.1786 1.1786 2.9634 2.9634 3.0602 3.0602 4.0368 4.0368 4.4964 4.4964 4.6465 4.6465 5.4601 5.4601 5.6701 5.6701 8.2503 8.2503 8.7330 8.7330 11.3799 11.3799 11.4714 11.4714 k = 0.2013 0.3486 0.2092 ( 3960 PWs) bands (ev): -8.4068 -8.4068 -8.3693 -8.3693 -8.3120 -8.3120 -8.2860 -8.2860 -7.6237 -7.6237 -7.5707 -7.5707 -7.4902 -7.4902 -7.4561 -7.4561 -7.4018 -7.4018 -7.3910 -7.3910 -6.0691 -6.0691 -5.4916 -5.4916 -5.0426 -5.0426 1.1899 1.1899 1.2098 1.2098 3.0079 3.0079 3.0964 3.0964 4.0881 4.0881 4.5586 4.5586 4.7054 4.7054 5.4834 5.4834 5.6710 5.6710 8.2583 8.2583 8.7421 8.7421 11.3693 11.3693 11.4542 11.4542 k = 0.1950 0.3377 0.2092 ( 3954 PWs) bands (ev): -8.4045 -8.4045 -8.3663 -8.3663 -8.3106 -8.3106 -8.2862 -8.2862 -7.6223 -7.6223 -7.5675 -7.5675 -7.4873 -7.4873 -7.4562 -7.4562 -7.4027 -7.4027 -7.3919 -7.3919 -6.1111 -6.1111 -5.5293 -5.5293 -5.0608 -5.0608 1.1985 1.1985 1.2740 1.2740 3.0567 3.0567 3.1359 3.1359 4.1460 4.1460 4.6206 4.6206 4.7633 4.7633 5.5050 5.5050 5.6697 5.6697 8.2697 8.2697 8.7531 8.7531 11.3529 11.3529 11.4310 11.4310 k = 0.1887 0.3268 0.2092 ( 3954 PWs) bands (ev): -8.4020 -8.4020 -8.3631 -8.3631 -8.3093 -8.3093 -8.2865 -8.2865 -7.6207 -7.6207 -7.5641 -7.5641 -7.4846 -7.4846 -7.4563 -7.4563 -7.4036 -7.4036 -7.3929 -7.3929 -6.1528 -6.1528 -5.5675 -5.5675 -5.0805 -5.0805 1.2038 1.2038 1.3414 1.3414 3.1091 3.1091 3.1803 3.1803 4.2095 4.2095 4.6817 4.6817 4.8199 4.8199 5.5247 5.5247 5.6668 5.6668 8.2843 8.2843 8.7656 8.7656 11.3236 11.3236 11.4062 11.4062 k = 0.1824 0.3159 0.2092 ( 3960 PWs) bands (ev): -8.3993 -8.3993 -8.3599 -8.3599 -8.3081 -8.3081 -8.2867 -8.2867 -7.6188 -7.6188 -7.5606 -7.5606 -7.4820 -7.4820 -7.4564 -7.4564 -7.4046 -7.4046 -7.3939 -7.3939 -6.1942 -6.1942 -5.6060 -5.6060 -5.1018 -5.1018 1.2057 1.2057 1.4118 1.4118 3.1643 3.1643 3.2313 3.2313 4.2774 4.2774 4.7416 4.7416 4.8750 4.8750 5.5418 5.5418 5.6634 5.6634 8.3021 8.3021 8.7793 8.7793 11.2770 11.2770 11.3874 11.3874 k = 0.1761 0.3050 0.2092 ( 3964 PWs) bands (ev): -8.3963 -8.3963 -8.3565 -8.3565 -8.3071 -8.3071 -8.2870 -8.2870 -7.6167 -7.6167 -7.5569 -7.5569 -7.4795 -7.4795 -7.4565 -7.4565 -7.4057 -7.4057 -7.3949 -7.3949 -6.2351 -6.2351 -5.6448 -5.6448 -5.1244 -5.1244 1.2042 1.2042 1.4851 1.4851 3.2220 3.2220 3.2900 3.2900 4.3486 4.3486 4.8000 4.8000 4.9284 4.9284 5.5554 5.5554 5.6612 5.6612 8.3232 8.3232 8.7937 8.7937 11.2180 11.2180 11.3743 11.3743 k = 0.1698 0.2941 0.2092 ( 3954 PWs) bands (ev): -8.3932 -8.3932 -8.3530 -8.3530 -8.3061 -8.3061 -8.2873 -8.2873 -7.6143 -7.6143 -7.5529 -7.5529 -7.4772 -7.4772 -7.4567 -7.4567 -7.4067 -7.4067 -7.3960 -7.3960 -6.2754 -6.2754 -5.6838 -5.6838 -5.1483 -5.1483 1.1992 1.1992 1.5609 1.5609 3.2825 3.2825 3.3564 3.3564 4.4219 4.4219 4.8564 4.8564 4.9801 4.9801 5.5637 5.5637 5.6625 5.6625 8.3476 8.3476 8.8083 8.8083 11.1525 11.1525 11.3638 11.3638 k = 0.1635 0.2832 0.2092 ( 3964 PWs) bands (ev): -8.3899 -8.3899 -8.3495 -8.3495 -8.3052 -8.3052 -8.2876 -8.2876 -7.6116 -7.6116 -7.5489 -7.5489 -7.4751 -7.4751 -7.4568 -7.4568 -7.4079 -7.4079 -7.3971 -7.3971 -6.3151 -6.3151 -5.7227 -5.7227 -5.1733 -5.1733 1.1910 1.1910 1.6390 1.6390 3.3467 3.3467 3.4296 3.4296 4.4963 4.4963 4.9103 4.9103 5.0301 5.0301 5.5654 5.5654 5.6693 5.6693 8.3750 8.3750 8.8225 8.8225 11.0836 11.0836 11.3547 11.3547 k = 0.1572 0.2723 0.2092 ( 3970 PWs) bands (ev): -8.3864 -8.3864 -8.3460 -8.3460 -8.3044 -8.3044 -8.2879 -8.2879 -7.6087 -7.6087 -7.5446 -7.5446 -7.4731 -7.4731 -7.4568 -7.4568 -7.4090 -7.4090 -7.3983 -7.3983 -6.3539 -6.3539 -5.7614 -5.7614 -5.1992 -5.1992 1.1799 1.1799 1.7192 1.7192 3.4154 3.4154 3.5086 3.5086 4.5706 4.5706 4.9616 4.9616 5.0786 5.0786 5.5611 5.5611 5.6817 5.6817 8.4056 8.4056 8.8356 8.8356 11.0128 11.0128 11.3460 11.3460 k = 0.1509 0.2614 0.2092 ( 3970 PWs) bands (ev): -8.3828 -8.3828 -8.3424 -8.3424 -8.3037 -8.3037 -8.2883 -8.2883 -7.6055 -7.6055 -7.5403 -7.5403 -7.4714 -7.4714 -7.4568 -7.4568 -7.4101 -7.4101 -7.3995 -7.3995 -6.3918 -6.3918 -5.7999 -5.7999 -5.2259 -5.2259 1.1660 1.1660 1.8013 1.8013 3.4891 3.4891 3.5928 3.5928 4.6438 4.6438 5.0097 5.0097 5.1259 5.1259 5.5527 5.5527 5.6985 5.6985 8.4393 8.4393 8.8469 8.8469 10.9408 10.9408 11.3368 11.3368 k = 0.1447 0.2505 0.2092 ( 3972 PWs) bands (ev): -8.3791 -8.3791 -8.3389 -8.3389 -8.3031 -8.3031 -8.2887 -8.2887 -7.6021 -7.6021 -7.5357 -7.5357 -7.4698 -7.4698 -7.4568 -7.4568 -7.4113 -7.4113 -7.4007 -7.4007 -6.4287 -6.4287 -5.8379 -5.8379 -5.2533 -5.2533 1.1498 1.1498 1.8848 1.8848 3.5677 3.5677 3.6815 3.6815 4.7147 4.7147 5.0546 5.0546 5.1721 5.1721 5.5425 5.5425 5.7181 5.7181 8.4759 8.4759 8.8557 8.8557 10.8681 10.8681 11.3246 11.3246 k = 0.1384 0.2397 0.2092 ( 3968 PWs) bands (ev): -8.3753 -8.3753 -8.3354 -8.3354 -8.3025 -8.3025 -8.2890 -8.2890 -7.5984 -7.5984 -7.5311 -7.5311 -7.4686 -7.4686 -7.4566 -7.4566 -7.4125 -7.4125 -7.4019 -7.4019 -6.4645 -6.4645 -5.8754 -5.8754 -5.2811 -5.2811 1.1317 1.1317 1.9696 1.9696 3.6512 3.6512 3.7743 3.7743 4.7821 4.7821 5.0965 5.0965 5.2175 5.2175 5.5321 5.5321 5.7396 5.7396 8.5153 8.5153 8.8612 8.8612 10.7946 10.7946 11.3049 11.3049 k = 0.1321 0.2288 0.2092 ( 3972 PWs) bands (ev): -8.3714 -8.3714 -8.3319 -8.3319 -8.3021 -8.3021 -8.2894 -8.2894 -7.5944 -7.5944 -7.5263 -7.5263 -7.4675 -7.4675 -7.4563 -7.4563 -7.4137 -7.4137 -7.4032 -7.4032 -6.4991 -6.4991 -5.9122 -5.9122 -5.3092 -5.3092 1.1120 1.1120 2.0552 2.0552 3.7391 3.7391 3.8706 3.8706 4.8446 4.8446 5.1356 5.1356 5.2620 5.2620 5.5230 5.5230 5.7623 5.7623 8.5574 8.5574 8.8628 8.8628 10.7205 10.7205 11.2707 11.2707 k = 0.1258 0.2179 0.2092 ( 3968 PWs) bands (ev): -8.3675 -8.3675 -8.3286 -8.3286 -8.3016 -8.3016 -8.2899 -8.2899 -7.5901 -7.5901 -7.5215 -7.5215 -7.4667 -7.4667 -7.4559 -7.4559 -7.4148 -7.4148 -7.4045 -7.4045 -6.5325 -6.5325 -5.9483 -5.9483 -5.3375 -5.3375 1.0912 1.0912 2.1413 2.1413 3.8312 3.8312 3.9702 3.9702 4.9009 4.9009 5.1725 5.1725 5.3053 5.3053 5.5166 5.5166 5.7857 5.7857 8.6018 8.6018 8.8598 8.8598 10.6456 10.6456 11.2189 11.2189 k = 0.1195 0.2070 0.2092 ( 3964 PWs) bands (ev): -8.3636 -8.3636 -8.3254 -8.3254 -8.3012 -8.3012 -8.2903 -8.2903 -7.5857 -7.5857 -7.5166 -7.5166 -7.4662 -7.4662 -7.4553 -7.4553 -7.4160 -7.4160 -7.4058 -7.4058 -6.5645 -6.5645 -5.9835 -5.9835 -5.3658 -5.3658 1.0695 1.0695 2.2276 2.2276 3.9267 3.9267 4.0724 4.0724 4.9498 4.9498 5.2076 5.2076 5.3472 5.3472 5.5146 5.5146 5.8093 5.8093 8.6480 8.6480 8.8519 8.8519 10.5696 10.5696 11.1530 11.1530 k = 0.1132 0.1961 0.2092 ( 3964 PWs) bands (ev): -8.3596 -8.3596 -8.3223 -8.3223 -8.3009 -8.3009 -8.2907 -8.2907 -7.5810 -7.5810 -7.5118 -7.5118 -7.4658 -7.4658 -7.4546 -7.4546 -7.4171 -7.4171 -7.4070 -7.4070 -6.5952 -6.5952 -6.0178 -6.0178 -5.3939 -5.3939 1.0474 1.0474 2.3135 2.3135 4.0251 4.0251 4.1770 4.1770 4.9906 4.9906 5.2406 5.2406 5.3871 5.3871 5.5191 5.5191 5.8326 5.8326 8.6953 8.6953 8.8389 8.8389 10.4924 10.4924 11.0784 11.0784 k = 0.1069 0.1852 0.2092 ( 3972 PWs) bands (ev): -8.3556 -8.3556 -8.3195 -8.3195 -8.3006 -8.3006 -8.2912 -8.2912 -7.5760 -7.5760 -7.5069 -7.5069 -7.4655 -7.4655 -7.4539 -7.4539 -7.4183 -7.4183 -7.4083 -7.4083 -6.6244 -6.6244 -6.0509 -6.0509 -5.4217 -5.4217 1.0250 1.0250 2.3988 2.3988 4.1256 4.1256 4.2833 4.2833 5.0235 5.0235 5.2706 5.2706 5.4247 5.4247 5.5319 5.5319 5.8554 5.8554 8.7425 8.7425 8.8210 8.8210 10.4137 10.4137 10.9994 10.9994 k = 0.1006 0.1743 0.2092 ( 3976 PWs) bands (ev): -8.3517 -8.3517 -8.3168 -8.3168 -8.3003 -8.3003 -8.2917 -8.2917 -7.5709 -7.5709 -7.5022 -7.5022 -7.4653 -7.4653 -7.4531 -7.4531 -7.4194 -7.4194 -7.4096 -7.4096 -6.6522 -6.6522 -6.0829 -6.0829 -5.4490 -5.4490 1.0028 1.0028 2.4829 2.4829 4.2274 4.2274 4.3908 4.3908 5.0492 5.0492 5.2968 5.2968 5.4600 5.4600 5.5535 5.5535 5.8771 5.8771 8.7802 8.7802 8.8064 8.8064 10.3330 10.3330 10.9196 10.9196 k = 0.0943 0.1634 0.2092 ( 3976 PWs) bands (ev): -8.3478 -8.3478 -8.3144 -8.3144 -8.3000 -8.3000 -8.2921 -8.2921 -7.5657 -7.5657 -7.4976 -7.4976 -7.4651 -7.4651 -7.4522 -7.4522 -7.4204 -7.4204 -7.4109 -7.4109 -6.6784 -6.6784 -6.1135 -6.1135 -5.4756 -5.4756 0.9809 0.9809 2.5654 2.5654 4.3294 4.3294 4.4989 4.4989 5.0693 5.0693 5.3193 5.3193 5.4941 5.4941 5.5826 5.5826 5.8976 5.8976 8.7628 8.7628 8.8397 8.8397 10.2503 10.2503 10.8422 10.8422 k = 0.0881 0.1525 0.2092 ( 3980 PWs) bands (ev): -8.3439 -8.3439 -8.3123 -8.3123 -8.2997 -8.2997 -8.2926 -8.2926 -7.5603 -7.5603 -7.4934 -7.4934 -7.4647 -7.4647 -7.4514 -7.4514 -7.4215 -7.4215 -7.4122 -7.4122 -6.7030 -6.7030 -6.1428 -6.1428 -5.5014 -5.5014 0.9596 0.9596 2.6458 2.6458 4.4302 4.4302 4.6065 4.6065 5.0854 5.0854 5.3392 5.3392 5.5280 5.5280 5.6164 5.6164 5.9165 5.9165 8.7298 8.7298 8.8796 8.8796 10.1653 10.1653 10.7704 10.7704 k = 0.0818 0.1416 0.2092 ( 3980 PWs) bands (ev): -8.3402 -8.3402 -8.3104 -8.3104 -8.2994 -8.2994 -8.2931 -8.2931 -7.5548 -7.5548 -7.4896 -7.4896 -7.4641 -7.4641 -7.4505 -7.4505 -7.4225 -7.4225 -7.4134 -7.4134 -6.7260 -6.7260 -6.1706 -6.1706 -5.5263 -5.5263 0.9390 0.9390 2.7235 2.7235 4.5279 4.5279 4.7129 4.7129 5.1000 5.1000 5.3585 5.3585 5.5618 5.5618 5.6526 5.6526 5.9337 5.9337 8.6919 8.6919 8.9139 8.9139 10.0782 10.0782 10.7073 10.7073 k = 0.0755 0.1307 0.2092 ( 3986 PWs) bands (ev): -8.3365 -8.3365 -8.3088 -8.3088 -8.2992 -8.2992 -8.2935 -8.2935 -7.5493 -7.5493 -7.4864 -7.4864 -7.4631 -7.4631 -7.4496 -7.4496 -7.4235 -7.4235 -7.4146 -7.4146 -6.7474 -6.7474 -6.1968 -6.1968 -5.5500 -5.5500 0.9194 0.9194 2.7980 2.7980 4.6200 4.6200 4.8167 4.8167 5.1157 5.1157 5.3787 5.3787 5.5952 5.5952 5.6893 5.6893 5.9490 5.9490 8.6506 8.6506 8.9394 8.9394 9.9891 9.9891 10.6565 10.6565 k = 0.0692 0.1198 0.2092 ( 3994 PWs) bands (ev): -8.3329 -8.3329 -8.3074 -8.3074 -8.2989 -8.2989 -8.2940 -8.2940 -7.5439 -7.5439 -7.4840 -7.4840 -7.4616 -7.4616 -7.4487 -7.4487 -7.4244 -7.4244 -7.4158 -7.4158 -6.7671 -6.7671 -6.2213 -6.2213 -5.5725 -5.5725 0.9009 0.9009 2.8688 2.8688 4.7032 4.7032 4.9164 4.9164 5.1360 5.1360 5.4014 5.4014 5.6281 5.6281 5.7255 5.7255 5.9625 5.9625 8.6067 8.6067 8.9537 8.9537 9.8986 9.8986 10.6210 10.6210 k = 0.0629 0.1089 0.2092 ( 3986 PWs) bands (ev): -8.3294 -8.3294 -8.3064 -8.3064 -8.2987 -8.2987 -8.2943 -8.2943 -7.5384 -7.5384 -7.4824 -7.4824 -7.4596 -7.4596 -7.4478 -7.4478 -7.4253 -7.4253 -7.4170 -7.4170 -6.7852 -6.7852 -6.2441 -6.2441 -5.5935 -5.5935 0.8836 0.8836 2.9355 2.9355 4.7733 4.7733 5.0097 5.0097 5.1650 5.1650 5.4279 5.4279 5.6599 5.6599 5.7604 5.7604 5.9743 5.9743 8.5614 8.5614 8.9549 8.9549 9.8074 9.8074 10.6033 10.6033 k = 0.0566 0.0980 0.2092 ( 3994 PWs) bands (ev): -8.3260 -8.3260 -8.3055 -8.3055 -8.2986 -8.2986 -8.2947 -8.2947 -7.5331 -7.5331 -7.4816 -7.4816 -7.4571 -7.4571 -7.4469 -7.4469 -7.4262 -7.4262 -7.4182 -7.4182 -6.8015 -6.8015 -6.2650 -6.2650 -5.6130 -5.6130 0.8677 0.8677 2.9973 2.9973 4.8268 4.8268 5.0942 5.0942 5.2059 5.2059 5.4591 5.4591 5.6904 5.6904 5.7937 5.7937 5.9846 5.9846 8.5156 8.5156 8.9424 8.9424 9.7167 9.7167 10.6044 10.6044 k = 0.0503 0.0871 0.2092 ( 3982 PWs) bands (ev): -8.3228 -8.3228 -8.3048 -8.3048 -8.2986 -8.2986 -8.2951 -8.2951 -7.5279 -7.5279 -7.4815 -7.4815 -7.4545 -7.4545 -7.4459 -7.4459 -7.4270 -7.4270 -7.4193 -7.4193 -6.8162 -6.8162 -6.2839 -6.2839 -5.6309 -5.6309 0.8531 0.8531 3.0540 3.0540 4.8635 4.8635 5.1671 5.1671 5.2586 5.2586 5.4960 5.4960 5.7188 5.7188 5.8254 5.8254 5.9941 5.9941 8.4705 8.4705 8.9174 8.9174 9.6279 9.6279 10.6238 10.6238 k = 0.0440 0.0763 0.2092 ( 3982 PWs) bands (ev): -8.3198 -8.3198 -8.3042 -8.3042 -8.2987 -8.2987 -8.2954 -8.2954 -7.5230 -7.5230 -7.4819 -7.4819 -7.4517 -7.4517 -7.4448 -7.4448 -7.4277 -7.4277 -7.4204 -7.4204 -6.8291 -6.8291 -6.3009 -6.3009 -5.6470 -5.6470 0.8401 0.8401 3.1050 3.1050 4.8863 4.8863 5.2273 5.2273 5.3190 5.3190 5.5382 5.5382 5.7440 5.7440 5.8558 5.8558 6.0034 6.0034 8.4272 8.4272 8.8822 8.8822 9.5425 9.5425 10.6589 10.6589 k = 0.0377 0.0654 0.2092 ( 3986 PWs) bands (ev): -8.3169 -8.3169 -8.3038 -8.3038 -8.2990 -8.2990 -8.2958 -8.2958 -7.5183 -7.5183 -7.4826 -7.4826 -7.4492 -7.4492 -7.4437 -7.4437 -7.4285 -7.4285 -7.4215 -7.4215 -6.8404 -6.8404 -6.3157 -6.3157 -5.6611 -5.6611 0.8287 0.8287 3.1500 3.1500 4.8996 4.8996 5.2751 5.2751 5.3811 5.3811 5.5837 5.5837 5.7643 5.7643 5.8852 5.8852 6.0135 6.0135 8.3868 8.3868 8.8403 8.8403 9.4624 9.4624 10.7057 10.7057 k = 0.0314 0.0545 0.2092 ( 3982 PWs) bands (ev): -8.3142 -8.3142 -8.3034 -8.3034 -8.2993 -8.2993 -8.2962 -8.2962 -7.5139 -7.5139 -7.4837 -7.4837 -7.4469 -7.4469 -7.4425 -7.4425 -7.4291 -7.4291 -7.4226 -7.4226 -6.8499 -6.8499 -6.3284 -6.3284 -5.6733 -5.6733 0.8190 0.8190 3.1886 3.1886 4.9069 4.9069 5.3122 5.3122 5.4408 5.4408 5.6288 5.6288 5.7782 5.7782 5.9140 5.9140 6.0248 6.0248 8.3504 8.3504 8.7957 8.7957 9.3897 9.3897 10.7589 10.7589 k = 0.0252 0.0436 0.2092 ( 3974 PWs) bands (ev): -8.3117 -8.3117 -8.3031 -8.3031 -8.2998 -8.2998 -8.2967 -8.2967 -7.5099 -7.5099 -7.4850 -7.4850 -7.4451 -7.4451 -7.4411 -7.4411 -7.4297 -7.4297 -7.4235 -7.4235 -6.8576 -6.8576 -6.3389 -6.3389 -5.6834 -5.6834 0.8109 0.8109 3.2206 3.2206 4.9107 4.9107 5.3402 5.3402 5.4952 5.4952 5.6698 5.6698 5.7848 5.7848 5.9415 5.9415 6.0375 6.0375 8.3189 8.3189 8.7524 8.7524 9.3265 9.3265 10.8112 10.8112 k = 0.0189 0.0327 0.2092 ( 3974 PWs) bands (ev): -8.3094 -8.3094 -8.3028 -8.3028 -8.3003 -8.3003 -8.2972 -8.2972 -7.5063 -7.5063 -7.4864 -7.4864 -7.4437 -7.4437 -7.4398 -7.4398 -7.4302 -7.4302 -7.4245 -7.4245 -6.8637 -6.8637 -6.3471 -6.3471 -5.6913 -5.6913 0.8047 0.8047 3.2456 3.2456 4.9125 4.9125 5.3607 5.3607 5.5425 5.5425 5.7034 5.7034 5.7845 5.7845 5.9664 5.9664 6.0504 6.0504 8.2933 8.2933 8.7142 8.7142 9.2747 9.2747 10.8551 10.8551 k = 0.0126 0.0218 0.2092 ( 3978 PWs) bands (ev): -8.3074 -8.3074 -8.3026 -8.3026 -8.3010 -8.3010 -8.2977 -8.2977 -7.5033 -7.5033 -7.4880 -7.4880 -7.4427 -7.4427 -7.4387 -7.4387 -7.4306 -7.4306 -7.4252 -7.4252 -6.8680 -6.8680 -6.3530 -6.3530 -5.6970 -5.6970 0.8001 0.8001 3.2637 3.2637 4.9133 4.9133 5.3747 5.3747 5.5806 5.5806 5.7280 5.7280 5.7792 5.7792 5.9865 5.9865 6.0618 6.0618 8.2745 8.2745 8.6843 8.6843 9.2362 9.2362 10.8850 10.8850 k = 0.0063 0.0109 0.2092 ( 3980 PWs) bands (ev): -8.3058 -8.3058 -8.3025 -8.3025 -8.3017 -8.3017 -8.2981 -8.2981 -7.5011 -7.5011 -7.4892 -7.4892 -7.4421 -7.4421 -7.4379 -7.4379 -7.4308 -7.4308 -7.4258 -7.4258 -6.8706 -6.8706 -6.3566 -6.3566 -5.7004 -5.7004 0.7974 0.7974 3.2745 3.2745 4.9135 4.9135 5.3829 5.3829 5.6064 5.6064 5.7428 5.7428 5.7726 5.7726 5.9996 5.9996 6.0697 6.0697 8.2629 8.2629 8.6653 8.6653 9.2124 9.2124 10.9009 10.9009 k = 0.0000 0.0000 0.2092 ( 3960 PWs) bands (ev): -8.3050 -8.3050 -8.3026 -8.3026 -8.3020 -8.3020 -8.2982 -8.2982 -7.5002 -7.5002 -7.4898 -7.4898 -7.4419 -7.4419 -7.4376 -7.4376 -7.4309 -7.4309 -7.4260 -7.4260 -6.8715 -6.8715 -6.3577 -6.3577 -5.7016 -5.7016 0.7965 0.7965 3.2782 3.2782 4.9136 4.9136 5.3856 5.3856 5.6159 5.6159 5.7477 5.7477 5.7696 5.7696 6.0042 6.0042 6.0725 6.0725 8.2590 8.2590 8.6588 8.6588 9.2044 9.2044 10.9056 10.9056 k = 0.5000 0.2887 0.2092 ( 3960 PWs) bands (ev): -8.4577 -8.4577 -8.3952 -8.3952 -8.2895 -8.2895 -8.2891 -8.2891 -7.6370 -7.6370 -7.5972 -7.5972 -7.4599 -7.4599 -7.4531 -7.4531 -7.3878 -7.3878 -7.3761 -7.3761 -5.8575 -5.8575 -5.1508 -5.1508 -4.9713 -4.9713 0.2985 0.2985 1.3500 1.3500 2.1386 2.1386 3.7999 3.7999 3.9538 3.9538 4.1028 4.1028 4.7315 4.7315 5.8128 5.8128 6.1274 6.1274 6.7409 6.7409 8.5648 8.5648 9.7196 9.7196 11.6937 11.6937 k = 0.5000 0.2887 0.1969 ( 3960 PWs) bands (ev): -8.4577 -8.4577 -8.3952 -8.3952 -8.2895 -8.2895 -8.2891 -8.2891 -7.6370 -7.6370 -7.5972 -7.5972 -7.4599 -7.4599 -7.4531 -7.4531 -7.3878 -7.3878 -7.3761 -7.3761 -5.8573 -5.8573 -5.1518 -5.1518 -4.9704 -4.9704 0.2991 0.2991 1.3487 1.3487 2.1370 2.1370 3.8017 3.8017 3.9578 3.9578 4.1030 4.1030 4.7332 4.7332 5.8109 5.8109 6.1234 6.1234 6.7363 6.7363 8.5692 8.5692 9.7243 9.7243 11.6956 11.6956 k = 0.5000 0.2887 0.1846 ( 3960 PWs) bands (ev): -8.4577 -8.4577 -8.3952 -8.3952 -8.2895 -8.2895 -8.2891 -8.2891 -7.6370 -7.6370 -7.5972 -7.5972 -7.4599 -7.4599 -7.4532 -7.4532 -7.3878 -7.3878 -7.3761 -7.3761 -5.8569 -5.8569 -5.1546 -5.1546 -4.9680 -4.9680 0.3009 0.3009 1.3447 1.3447 2.1322 2.1322 3.8069 3.8069 3.9697 3.9697 4.1036 4.1036 4.7385 4.7385 5.8049 5.8049 6.1116 6.1116 6.7227 6.7227 8.5823 8.5823 9.7383 9.7383 11.7005 11.7005 k = 0.5000 0.2887 0.1723 ( 3966 PWs) bands (ev): -8.4576 -8.4576 -8.3953 -8.3953 -8.2895 -8.2895 -8.2891 -8.2891 -7.6369 -7.6369 -7.5973 -7.5973 -7.4599 -7.4599 -7.4532 -7.4532 -7.3878 -7.3878 -7.3760 -7.3760 -5.8562 -5.8562 -5.1590 -5.1590 -4.9641 -4.9641 0.3038 0.3038 1.3383 1.3383 2.1244 2.1244 3.8152 3.8152 3.9890 3.9890 4.1051 4.1051 4.7470 4.7470 5.7949 5.7949 6.0926 6.0926 6.7007 6.7007 8.6035 8.6035 9.7610 9.7610 11.7035 11.7035 k = 0.5000 0.2887 0.1600 ( 3976 PWs) bands (ev): -8.4576 -8.4576 -8.3953 -8.3953 -8.2896 -8.2896 -8.2891 -8.2891 -7.6368 -7.6368 -7.5974 -7.5974 -7.4599 -7.4599 -7.4532 -7.4532 -7.3879 -7.3879 -7.3760 -7.3760 -5.8552 -5.8552 -5.1647 -5.1647 -4.9590 -4.9590 0.3079 0.3079 1.3296 1.3296 2.1141 2.1141 3.8261 3.8261 4.0147 4.0147 4.1083 4.1083 4.7586 4.7586 5.7809 5.7809 6.0671 6.0671 6.6712 6.6712 8.6321 8.6321 9.7913 9.7913 11.6848 11.6848 k = 0.5000 0.2887 0.1477 ( 3974 PWs) bands (ev): -8.4575 -8.4575 -8.3954 -8.3954 -8.2896 -8.2896 -8.2891 -8.2891 -7.6367 -7.6367 -7.5975 -7.5975 -7.4599 -7.4599 -7.4533 -7.4533 -7.3879 -7.3879 -7.3760 -7.3760 -5.8540 -5.8540 -5.1714 -5.1714 -4.9532 -4.9532 0.3130 0.3130 1.3188 1.3188 2.1017 2.1017 3.8387 3.8387 4.0450 4.0450 4.1150 4.1150 4.7728 4.7728 5.7626 5.7626 6.0364 6.0364 6.6352 6.6352 8.6669 8.6669 9.8282 9.8282 11.6438 11.6438 k = 0.5000 0.2887 0.1354 ( 3968 PWs) bands (ev): -8.4574 -8.4574 -8.3955 -8.3955 -8.2896 -8.2896 -8.2890 -8.2890 -7.6366 -7.6366 -7.5977 -7.5977 -7.4599 -7.4599 -7.4533 -7.4533 -7.3879 -7.3879 -7.3760 -7.3760 -5.8526 -5.8526 -5.1787 -5.1787 -4.9470 -4.9470 0.3189 0.3189 1.3064 1.3064 2.0878 2.0878 3.8521 3.8521 4.0758 4.0758 4.1292 4.1292 4.7893 4.7893 5.7400 5.7400 6.0019 6.0019 6.5939 6.5939 8.7069 8.7069 9.8701 9.8701 11.5993 11.5993 k = 0.5000 0.2887 0.1231 ( 3966 PWs) bands (ev): -8.4572 -8.4572 -8.3956 -8.3956 -8.2896 -8.2896 -8.2890 -8.2890 -7.6365 -7.6365 -7.5979 -7.5979 -7.4598 -7.4598 -7.4534 -7.4534 -7.3879 -7.3879 -7.3760 -7.3760 -5.8511 -5.8511 -5.1863 -5.1863 -4.9405 -4.9405 0.3255 0.3255 1.2927 1.2927 2.0729 2.0729 3.8650 3.8650 4.1006 4.1006 4.1573 4.1573 4.8076 4.8076 5.7127 5.7127 5.9652 5.9652 6.5488 6.5488 8.7508 8.7508 9.9152 9.9152 11.5574 11.5574 k = 0.5000 0.2887 0.1108 ( 3958 PWs) bands (ev): -8.4571 -8.4571 -8.3957 -8.3957 -8.2897 -8.2897 -8.2890 -8.2890 -7.6363 -7.6363 -7.5980 -7.5980 -7.4598 -7.4598 -7.4534 -7.4534 -7.3879 -7.3879 -7.3760 -7.3760 -5.8495 -5.8495 -5.1939 -5.1939 -4.9340 -4.9340 0.3327 0.3327 1.2782 1.2782 2.0577 2.0577 3.8766 3.8766 4.1197 4.1197 4.1984 4.1984 4.8271 4.8271 5.6808 5.6808 5.9281 5.9281 6.5013 6.5013 8.7972 8.7972 9.9616 9.9616 11.5203 11.5203 k = 0.5000 0.2887 0.0984 ( 3968 PWs) bands (ev): -8.4570 -8.4570 -8.3958 -8.3958 -8.2897 -8.2897 -8.2890 -8.2890 -7.6362 -7.6362 -7.5982 -7.5982 -7.4598 -7.4598 -7.4535 -7.4535 -7.3879 -7.3879 -7.3760 -7.3760 -5.8478 -5.8478 -5.2013 -5.2013 -4.9278 -4.9278 0.3402 0.3402 1.2634 1.2634 2.0426 2.0426 3.8861 3.8861 4.1383 4.1383 4.2461 4.2461 4.8473 4.8473 5.6443 5.6443 5.8920 5.8920 6.4528 6.4528 8.8448 8.8448 10.0072 10.0072 11.4888 11.4888 k = 0.5000 0.2887 0.0861 ( 3964 PWs) bands (ev): -8.4569 -8.4569 -8.3959 -8.3959 -8.2897 -8.2897 -8.2890 -8.2890 -7.6361 -7.6361 -7.5984 -7.5984 -7.4598 -7.4598 -7.4536 -7.4536 -7.3879 -7.3879 -7.3760 -7.3760 -5.8462 -5.8462 -5.2084 -5.2084 -4.9220 -4.9220 0.3477 0.3477 1.2486 1.2486 2.0281 2.0281 3.8932 3.8932 4.1586 4.1586 4.2967 4.2967 4.8676 4.8676 5.6040 5.6040 5.8583 5.8583 6.4049 6.4049 8.8922 8.8922 10.0501 10.0501 11.4634 11.4634 k = 0.5000 0.2887 0.0738 ( 3964 PWs) bands (ev): -8.4567 -8.4567 -8.3960 -8.3960 -8.2898 -8.2898 -8.2890 -8.2890 -7.6359 -7.6359 -7.5986 -7.5986 -7.4598 -7.4598 -7.4536 -7.4536 -7.3879 -7.3879 -7.3760 -7.3760 -5.8446 -5.8446 -5.2148 -5.2148 -4.9167 -4.9167 0.3551 0.3551 1.2345 1.2345 2.0147 2.0147 3.8980 3.8980 4.1802 4.1802 4.3478 4.3478 4.8874 4.8874 5.5610 5.5610 5.8278 5.8278 6.3591 6.3591 8.9378 8.9378 10.0885 10.0885 11.4436 11.4436 k = 0.5000 0.2887 0.0615 ( 3968 PWs) bands (ev): -8.4566 -8.4566 -8.3961 -8.3961 -8.2898 -8.2898 -8.2890 -8.2890 -7.6358 -7.6358 -7.5987 -7.5987 -7.4598 -7.4598 -7.4537 -7.4537 -7.3879 -7.3879 -7.3760 -7.3760 -5.8431 -5.8431 -5.2206 -5.2206 -4.9121 -4.9121 0.3620 0.3620 1.2215 1.2215 2.0028 2.0028 3.9011 3.9011 4.2020 4.2020 4.3975 4.3975 4.9060 4.9060 5.5171 5.5171 5.8012 5.8012 6.3168 6.3168 8.9803 8.9803 10.1211 10.1211 11.4283 11.4283 k = 0.5000 0.2887 0.0492 ( 3966 PWs) bands (ev): -8.4565 -8.4565 -8.3962 -8.3962 -8.2898 -8.2898 -8.2890 -8.2890 -7.6357 -7.6357 -7.5988 -7.5988 -7.4598 -7.4598 -7.4537 -7.4537 -7.3879 -7.3879 -7.3760 -7.3760 -5.8419 -5.8419 -5.2254 -5.2254 -4.9082 -4.9082 0.3681 0.3681 1.2101 1.2101 1.9927 1.9927 3.9029 3.9029 4.2227 4.2227 4.4437 4.4437 4.9228 4.9228 5.4749 5.4749 5.7787 5.7787 6.2797 6.2797 9.0179 9.0179 10.1470 10.1470 11.4162 11.4162 k = 0.5000 0.2887 0.0369 ( 3966 PWs) bands (ev): -8.4565 -8.4565 -8.3963 -8.3963 -8.2898 -8.2898 -8.2890 -8.2890 -7.6356 -7.6356 -7.5990 -7.5990 -7.4598 -7.4598 -7.4537 -7.4537 -7.3879 -7.3879 -7.3760 -7.3760 -5.8408 -5.8408 -5.2293 -5.2293 -4.9051 -4.9051 0.3732 0.3732 1.2007 1.2007 1.9845 1.9845 3.9038 3.9038 4.2406 4.2406 4.4839 4.4839 4.9370 4.9370 5.4369 5.4369 5.7607 5.7607 6.2490 6.2490 9.0492 9.0492 10.1661 10.1661 11.4062 11.4062 k = 0.5000 0.2887 0.0246 ( 3962 PWs) bands (ev): -8.4564 -8.4564 -8.3963 -8.3963 -8.2898 -8.2898 -8.2890 -8.2890 -7.6355 -7.6355 -7.5990 -7.5990 -7.4598 -7.4598 -7.4538 -7.4538 -7.3880 -7.3880 -7.3760 -7.3760 -5.8400 -5.8400 -5.2321 -5.2321 -4.9028 -4.9028 0.3771 0.3771 1.1937 1.1937 1.9785 1.9785 3.9042 3.9042 4.2546 4.2546 4.5156 4.5156 4.9479 4.9479 5.4065 5.4065 5.7475 5.7475 6.2261 6.2261 9.0727 9.0727 10.1790 10.1790 11.3983 11.3983 k = 0.5000 0.2887 0.0123 ( 3964 PWs) bands (ev): -8.4564 -8.4564 -8.3963 -8.3963 -8.2898 -8.2898 -8.2890 -8.2890 -7.6355 -7.6355 -7.5991 -7.5991 -7.4598 -7.4598 -7.4538 -7.4538 -7.3880 -7.3880 -7.3760 -7.3760 -5.8396 -5.8396 -5.2339 -5.2339 -4.9014 -4.9014 0.3795 0.3795 1.1894 1.1894 1.9749 1.9749 3.9043 3.9043 4.2634 4.2634 4.5359 4.5359 4.9548 4.9548 5.3866 5.3866 5.7395 5.7395 6.2119 6.2119 9.0874 9.0874 10.1863 10.1863 11.3932 11.3932 k = 0.5000 0.2887-0.0000 ( 3966 PWs) bands (ev): -8.4563 -8.4563 -8.3963 -8.3963 -8.2898 -8.2898 -8.2890 -8.2890 -7.6355 -7.6355 -7.5991 -7.5991 -7.4598 -7.4598 -7.4538 -7.4538 -7.3880 -7.3880 -7.3760 -7.3760 -5.8394 -5.8394 -5.2344 -5.2344 -4.9010 -4.9010 0.3803 0.3803 1.1879 1.1879 1.9737 1.9737 3.9043 3.9043 4.2664 4.2664 4.5430 4.5430 4.9572 4.9572 5.3796 5.3796 5.7368 5.7368 6.2071 6.2071 9.0924 9.0924 10.1886 10.1886 11.3914 11.3914 k = 0.3333 0.5774-0.0000 ( 3972 PWs) bands (ev): -8.4058 -8.4058 -8.3883 -8.3883 -8.3561 -8.3561 -8.2843 -8.2843 -7.6214 -7.6214 -7.5968 -7.5968 -7.5509 -7.5509 -7.4560 -7.4560 -7.3940 -7.3940 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8325 0.8325 0.8551 0.8551 2.5183 2.5183 2.9358 2.9358 2.9452 2.9452 3.4094 3.4094 5.1834 5.1834 5.2121 5.2121 5.5579 5.5579 8.1197 8.1197 8.1507 8.1507 10.5901 10.5901 12.4876 12.4876 k = 0.3333 0.5774 0.0123 ( 3978 PWs) bands (ev): -8.4058 -8.4058 -8.3883 -8.3883 -8.3561 -8.3561 -8.2843 -8.2843 -7.6214 -7.6214 -7.5968 -7.5968 -7.5509 -7.5509 -7.4560 -7.4560 -7.3940 -7.3940 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8322 0.8322 0.8548 0.8548 2.5171 2.5171 2.9377 2.9377 2.9471 2.9471 3.4118 3.4118 5.1795 5.1795 5.2083 5.2083 5.5555 5.5555 8.1240 8.1240 8.1550 8.1550 10.5953 10.5953 12.4857 12.4857 k = 0.3333 0.5774 0.0246 ( 3972 PWs) bands (ev): -8.4058 -8.4058 -8.3883 -8.3883 -8.3561 -8.3561 -8.2843 -8.2843 -7.6214 -7.6214 -7.5969 -7.5969 -7.5509 -7.5509 -7.4560 -7.4560 -7.3940 -7.3940 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8311 0.8311 0.8537 0.8537 2.5138 2.5138 2.9433 2.9433 2.9528 2.9528 3.4190 3.4190 5.1677 5.1677 5.1968 5.1968 5.5483 5.5483 8.1368 8.1368 8.1675 8.1675 10.6107 10.6107 12.4802 12.4802 k = 0.3333 0.5774 0.0369 ( 3972 PWs) bands (ev): -8.4058 -8.4058 -8.3883 -8.3883 -8.3560 -8.3560 -8.2843 -8.2843 -7.6214 -7.6214 -7.5969 -7.5969 -7.5509 -7.5509 -7.4560 -7.4560 -7.3941 -7.3941 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8294 0.8294 0.8520 0.8520 2.5083 2.5083 2.9526 2.9526 2.9622 2.9622 3.4308 3.4308 5.1487 5.1487 5.1783 5.1783 5.5366 5.5366 8.1576 8.1576 8.1879 8.1879 10.6362 10.6362 12.4712 12.4712 k = 0.3333 0.5774 0.0492 ( 3978 PWs) bands (ev): -8.4059 -8.4059 -8.3883 -8.3883 -8.3560 -8.3560 -8.2843 -8.2843 -7.6214 -7.6214 -7.5970 -7.5970 -7.5508 -7.5508 -7.4560 -7.4560 -7.3941 -7.3941 -7.3854 -7.3854 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8271 0.8271 0.8496 0.8496 2.5012 2.5012 2.9652 2.9652 2.9750 2.9750 3.4467 3.4467 5.1230 5.1230 5.1532 5.1532 5.5206 5.5206 8.1856 8.1856 8.2154 8.2154 10.6713 10.6713 12.4587 12.4587 k = 0.3333 0.5774 0.0615 ( 3957 PWs) bands (ev): -8.4059 -8.4059 -8.3883 -8.3883 -8.3560 -8.3560 -8.2844 -8.2844 -7.6214 -7.6214 -7.5970 -7.5970 -7.5507 -7.5507 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4530 -5.4530 -5.0332 -5.0332 -5.0229 -5.0229 0.8243 0.8243 0.8468 0.8468 2.4927 2.4927 2.9809 2.9809 2.9911 2.9911 3.4660 3.4660 5.0916 5.0916 5.1227 5.1227 5.5009 5.5009 8.2198 8.2198 8.2489 8.2489 10.7157 10.7157 12.4430 12.4430 k = 0.3333 0.5774 0.0738 ( 3951 PWs) bands (ev): -8.4059 -8.4059 -8.3883 -8.3883 -8.3560 -8.3560 -8.2844 -8.2844 -7.6214 -7.6214 -7.5971 -7.5971 -7.5507 -7.5507 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4529 -5.4529 -5.0332 -5.0332 -5.0229 -5.0229 0.8211 0.8211 0.8435 0.8435 2.4832 2.4832 2.9993 2.9993 3.0099 3.0099 3.4883 3.4883 5.0556 5.0556 5.0876 5.0876 5.4781 5.4781 8.2589 8.2589 8.2872 8.2872 10.7687 10.7687 12.4244 12.4244 k = 0.3333 0.5774 0.0861 ( 3957 PWs) bands (ev): -8.4059 -8.4059 -8.3883 -8.3883 -8.3559 -8.3559 -8.2844 -8.2844 -7.6214 -7.6214 -7.5972 -7.5972 -7.5506 -7.5506 -7.4560 -7.4560 -7.3941 -7.3941 -7.3853 -7.3853 -5.4529 -5.4529 -5.0332 -5.0332 -5.0229 -5.0229 0.8176 0.8176 0.8400 0.8400 2.4732 2.4732 3.0199 3.0199 3.0310 3.0310 3.5127 3.5127 5.0162 5.0162 5.0493 5.0493 5.4528 5.4528 8.3015 8.3015 8.3290 8.3290 10.8297 10.8297 12.4034 12.4034 k = 0.3333 0.5774 0.0984 ( 3954 PWs) bands (ev): -8.4059 -8.4059 -8.3884 -8.3884 -8.3559 -8.3559 -8.2844 -8.2844 -7.6213 -7.6213 -7.5973 -7.5973 -7.5505 -7.5505 -7.4561 -7.4561 -7.3941 -7.3941 -7.3853 -7.3853 -5.4529 -5.4529 -5.0331 -5.0331 -5.0229 -5.0229 0.8139 0.8139 0.8363 0.8363 2.4629 2.4629 3.0421 3.0421 3.0538 3.0538 3.5385 3.5385 4.9746 4.9746 5.0088 5.0088 5.4258 5.4258 8.3463 8.3463 8.3729 8.3729 10.8976 10.8976 12.3806 12.3806 k = 0.3333 0.5774 0.1108 ( 3960 PWs) bands (ev): -8.4060 -8.4060 -8.3884 -8.3884 -8.3558 -8.3558 -8.2844 -8.2844 -7.6213 -7.6213 -7.5973 -7.5973 -7.5504 -7.5504 -7.4561 -7.4561 -7.3941 -7.3941 -7.3853 -7.3853 -5.4529 -5.4529 -5.0331 -5.0331 -5.0229 -5.0229 0.8102 0.8102 0.8326 0.8326 2.4529 2.4529 3.0654 3.0654 3.0777 3.0777 3.5648 3.5648 4.9321 4.9321 4.9676 4.9676 5.3979 5.3979 8.3917 8.3917 8.4174 8.4174 10.9716 10.9716 12.3565 12.3565 k = 0.3333 0.5774 0.1231 ( 3954 PWs) bands (ev): -8.4060 -8.4060 -8.3884 -8.3884 -8.3558 -8.3558 -8.2844 -8.2844 -7.6213 -7.6213 -7.5974 -7.5974 -7.5503 -7.5503 -7.4561 -7.4561 -7.3941 -7.3941 -7.3853 -7.3853 -5.4529 -5.4529 -5.0331 -5.0331 -5.0229 -5.0229 0.8066 0.8066 0.8289 0.8289 2.4433 2.4433 3.0889 3.0889 3.1020 3.1020 3.5909 3.5909 4.8901 4.8901 4.9269 4.9269 5.3702 5.3702 8.4363 8.4363 8.4611 8.4611 11.0502 11.0502 12.3321 12.3321 k = 0.3333 0.5774 0.1354 ( 3954 PWs) bands (ev): -8.4060 -8.4060 -8.3884 -8.3884 -8.3557 -8.3557 -8.2845 -8.2845 -7.6213 -7.6213 -7.5975 -7.5975 -7.5502 -7.5502 -7.4561 -7.4561 -7.3941 -7.3941 -7.3853 -7.3853 -5.4528 -5.4528 -5.0331 -5.0331 -5.0229 -5.0229 0.8033 0.8033 0.8255 0.8255 2.4345 2.4345 3.1119 3.1119 3.1258 3.1258 3.6159 3.6159 4.8499 4.8499 4.8881 4.8881 5.3434 5.3434 8.4786 8.4786 8.5025 8.5025 11.1319 11.1319 12.3081 12.3081 k = 0.3333 0.5774 0.1477 ( 3966 PWs) bands (ev): -8.4060 -8.4060 -8.3884 -8.3884 -8.3557 -8.3557 -8.2845 -8.2845 -7.6213 -7.6213 -7.5976 -7.5976 -7.5502 -7.5502 -7.4561 -7.4561 -7.3941 -7.3941 -7.3853 -7.3853 -5.4528 -5.4528 -5.0331 -5.0331 -5.0229 -5.0229 0.8002 0.8002 0.8224 0.8224 2.4267 2.4267 3.1335 3.1335 3.1481 3.1481 3.6389 3.6389 4.8130 4.8130 4.8524 4.8524 5.3186 5.3186 8.5172 8.5172 8.5402 8.5402 11.2145 11.2145 12.2856 12.2856 k = 0.3333 0.5774 0.1600 ( 3969 PWs) bands (ev): -8.4060 -8.4060 -8.3884 -8.3884 -8.3557 -8.3557 -8.2845 -8.2845 -7.6213 -7.6213 -7.5976 -7.5976 -7.5501 -7.5501 -7.4562 -7.4562 -7.3941 -7.3941 -7.3853 -7.3853 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7975 0.7975 0.8197 0.8197 2.4201 2.4201 3.1529 3.1529 3.1682 3.1682 3.6592 3.6592 4.7805 4.7805 4.8211 4.8211 5.2967 5.2967 8.5508 8.5508 8.5731 8.5731 11.2949 11.2949 12.2656 12.2656 k = 0.3333 0.5774 0.1723 ( 3942 PWs) bands (ev): -8.4061 -8.4061 -8.3884 -8.3884 -8.3556 -8.3556 -8.2845 -8.2845 -7.6213 -7.6213 -7.5977 -7.5977 -7.5500 -7.5500 -7.4562 -7.4562 -7.3941 -7.3941 -7.3853 -7.3853 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7954 0.7954 0.8175 0.8175 2.4148 2.4148 3.1690 3.1690 3.1850 3.1850 3.6758 3.6758 4.7537 4.7537 4.7954 4.7954 5.2787 5.2787 8.5783 8.5783 8.5999 8.5999 11.3691 11.3691 12.2489 12.2489 k = 0.3333 0.5774 0.1846 ( 3948 PWs) bands (ev): -8.4061 -8.4061 -8.3884 -8.3884 -8.3556 -8.3556 -8.2845 -8.2845 -7.6213 -7.6213 -7.5977 -7.5977 -7.5500 -7.5500 -7.4562 -7.4562 -7.3941 -7.3941 -7.3853 -7.3853 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7938 0.7938 0.8159 0.8159 2.4110 2.4110 3.1813 3.1813 3.1978 3.1978 3.6883 3.6883 4.7337 4.7337 4.7762 4.7762 5.2651 5.2651 8.5986 8.5986 8.6198 8.6198 11.4309 11.4309 12.2363 12.2363 k = 0.3333 0.5774 0.1969 ( 3948 PWs) bands (ev): -8.4061 -8.4061 -8.3884 -8.3884 -8.3556 -8.3556 -8.2845 -8.2845 -7.6213 -7.6213 -7.5977 -7.5977 -7.5500 -7.5500 -7.4562 -7.4562 -7.3941 -7.3941 -7.3853 -7.3853 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7929 0.7929 0.8150 0.8150 2.4086 2.4086 3.1889 3.1889 3.2057 3.2057 3.6960 3.6960 4.7213 4.7213 4.7644 4.7644 5.2567 5.2567 8.6111 8.6111 8.6320 8.6320 11.4730 11.4730 12.2285 12.2285 k = 0.3333 0.5774 0.2092 ( 3942 PWs) bands (ev): -8.4061 -8.4061 -8.3884 -8.3884 -8.3556 -8.3556 -8.2845 -8.2845 -7.6213 -7.6213 -7.5977 -7.5977 -7.5500 -7.5500 -7.4562 -7.4562 -7.3941 -7.3941 -7.3852 -7.3852 -5.4528 -5.4528 -5.0331 -5.0331 -5.0228 -5.0228 0.7925 0.7925 0.8146 0.8146 2.4078 2.4078 3.1915 3.1915 3.2084 3.2084 3.6986 3.6986 4.7171 4.7171 4.7604 4.7604 5.2539 5.2539 8.6153 8.6153 8.6362 8.6362 11.4881 11.4881 12.2258 12.2258 Writing output data file In2Se3.save init_run : 0.15s CPU 0.25s WALL ( 1 calls) electrons : 115.99s CPU 118.09s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 115.98s CPU 118.08s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.03s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.03s WALL ( 312 calls) cegterg : 107.37s CPU 108.95s WALL ( 472 calls) Called by sum_band: Called by *egterg: h_psi : 53.88s CPU 54.96s WALL ( 7542 calls) s_psi : 3.18s CPU 3.08s WALL ( 7542 calls) g_psi : 0.18s CPU 0.19s WALL ( 6758 calls) cdiaghg : 43.74s CPU 44.37s WALL ( 7070 calls) cegterg:over : 4.72s CPU 4.78s WALL ( 6758 calls) cegterg:upda : 3.66s CPU 3.79s WALL ( 6758 calls) cegterg:last : 2.59s CPU 2.56s WALL ( 1096 calls) cdiaghg:chol : 2.28s CPU 2.41s WALL ( 7070 calls) cdiaghg:inve : 1.62s CPU 1.60s WALL ( 7070 calls) cdiaghg:para : 2.52s CPU 2.55s WALL ( 14140 calls) Called by h_psi: h_psi:vloc : 46.45s CPU 47.49s WALL ( 7542 calls) h_psi:vnl : 7.19s CPU 7.29s WALL ( 7542 calls) add_vuspsi : 3.50s CPU 3.57s WALL ( 7542 calls) General routines calbec : 3.68s CPU 3.69s WALL ( 7542 calls) fft : 0.01s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 43.13s CPU 44.22s WALL ( 702636 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.23s WALL ( 624 calls) Parallel routines fft_scatter : 18.61s CPU 19.07s WALL ( 702659 calls) PWSCF : 2m10.32s CPU 2m21.31s WALL This run was terminated on: 19:22:17 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=