Program PWSCF v.5.1.1 starts on 27Jun2015 at 16:35:39 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./CdBr2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 52 16 4 6626 1140 172 Max 53 17 5 6631 1181 195 Sum 2515 769 223 318137 55535 8727 bravais-lattice index = 14 lattice parameter (alat) = 7.5306 a.u. unit-cell volume = 1165.7569 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.530558 celldm(2)= 1.000000 celldm(3)= 3.152070 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 3.152070 ) 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 0.317252 ) PseudoPot. # 1 for Cd read from file: /home/autes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Br read from file: /home/autes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Cd 12.00 112.41100 Cd( 1.00) Br 7.00 79.90400 Br( 1.00) 12 Sym. Ops. (no inversion) found ( 6 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5760351 ) isym = 3 60 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 1 1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 3) = ( 0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5760351 ) isym = 4 60 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( 0 -1 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5760351 ) isym = 5 120 deg rotation - cryst. axis [0,0,1] cryst. s( 5) = ( 0 1 0 ) ( -1 -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 = 6 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 6) = ( -1 -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 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5760351 ) 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. 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 9) = ( 0 1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5760351 ) isym = 10 inv. 180 deg rotation - cryst. axis [2,1,0] cryst. s(10) = ( -1 -1 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( -0.8660254 0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.5760351 ) 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 C_6v (6mm) there are 9 classes and 3 irreducible representations the character table: E -E C2 2C3 -2C3 2C6 -2C6 3s_v 3s_d -C2 -3s_v -3s_d G_7 2.00 -2.00 0.00 1.00 -1.00 1.73 -1.73 0.00 0.00 G_8 2.00 -2.00 0.00 1.00 -1.00 -1.73 1.73 0.00 0.00 G_9 2.00 -2.00 0.00 -2.00 2.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 2C6 3 4 2C3 5 6 3s_v-3s_v 7 -7 9 10 -10 -9 3s_d-3s_d 8 -8 12 -11 11 -12 -E -1 -2C6 -3 -4 -2C3 -5 -6 Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0033333 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0033333 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0033333 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0033333 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0033333 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0033333 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0033333 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0033333 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0033333 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0033333 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0033333 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0033333 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0033333 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0033333 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0033333 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0033333 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0033333 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0033333 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0033333 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0033333 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0033333 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0033333 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0033333 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0033333 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0033333 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0033333 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0033333 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0033333 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0033333 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0033333 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0033333 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0033333 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0033333 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0033333 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0033333 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0033333 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0033333 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0033333 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0033333 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0033333 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0033333 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0033333 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0033333 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0033333 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0033333 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0033333 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0033333 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0033333 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0033333 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0033333 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0033333 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0033333 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0033333 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0033333 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0033333 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0033333 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0033333 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0033333 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0033333 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0033333 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0033333 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0033333 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0033333 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0033333 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0033333 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0033333 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0033333 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0033333 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0033333 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0033333 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0033333 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0033333 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0033333 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0033333 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0033333 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0033333 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0033333 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0033333 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0033333 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0033333 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0033333 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0033333 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0033333 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0033333 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0033333 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0033333 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0033333 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0033333 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0033333 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0033333 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0033333 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0033333 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0033333 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0033333 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0033333 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0033333 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0033333 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0033333 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0033333 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0033333 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0033333 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0033333 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0033333 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.0122020), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.0244040), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.0366060), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.0488080), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.0610100), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.0732120), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.0854139), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.0976159), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.1098179), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.1220199), wk = 0.0033333 k( 141) = ( 0.0000000 0.0000000 0.1342219), wk = 0.0033333 k( 142) = ( 0.0000000 0.0000000 0.1464239), wk = 0.0033333 k( 143) = ( 0.0000000 0.0000000 0.1586259), wk = 0.0033333 k( 144) = ( 0.0000000 0.0000000 0.1586259), wk = 0.0033333 k( 145) = ( 0.0108696 0.0062755 0.1586259), wk = 0.0033333 k( 146) = ( 0.0217391 0.0125511 0.1586259), wk = 0.0033333 k( 147) = ( 0.0326087 0.0188266 0.1586259), wk = 0.0033333 k( 148) = ( 0.0434783 0.0251022 0.1586259), wk = 0.0033333 k( 149) = ( 0.0543478 0.0313777 0.1586259), wk = 0.0033333 k( 150) = ( 0.0652174 0.0376533 0.1586259), wk = 0.0033333 k( 151) = ( 0.0760870 0.0439288 0.1586259), wk = 0.0033333 k( 152) = ( 0.0869565 0.0502044 0.1586259), wk = 0.0033333 k( 153) = ( 0.0978261 0.0564799 0.1586259), wk = 0.0033333 k( 154) = ( 0.1086957 0.0627555 0.1586259), wk = 0.0033333 k( 155) = ( 0.1195652 0.0690310 0.1586259), wk = 0.0033333 k( 156) = ( 0.1304348 0.0753066 0.1586259), wk = 0.0033333 k( 157) = ( 0.1413043 0.0815821 0.1586259), wk = 0.0033333 k( 158) = ( 0.1521739 0.0878576 0.1586259), wk = 0.0033333 k( 159) = ( 0.1630435 0.0941332 0.1586259), wk = 0.0033333 k( 160) = ( 0.1739130 0.1004087 0.1586259), wk = 0.0033333 k( 161) = ( 0.1847826 0.1066843 0.1586259), wk = 0.0033333 k( 162) = ( 0.1956522 0.1129598 0.1586259), wk = 0.0033333 k( 163) = ( 0.2065217 0.1192354 0.1586259), wk = 0.0033333 k( 164) = ( 0.2173913 0.1255109 0.1586259), wk = 0.0033333 k( 165) = ( 0.2282609 0.1317865 0.1586259), wk = 0.0033333 k( 166) = ( 0.2391304 0.1380620 0.1586259), wk = 0.0033333 k( 167) = ( 0.2500000 0.1443376 0.1586259), wk = 0.0033333 k( 168) = ( 0.2608696 0.1506131 0.1586259), wk = 0.0033333 k( 169) = ( 0.2717391 0.1568887 0.1586259), wk = 0.0033333 k( 170) = ( 0.2826087 0.1631642 0.1586259), wk = 0.0033333 k( 171) = ( 0.2934783 0.1694398 0.1586259), wk = 0.0033333 k( 172) = ( 0.3043478 0.1757153 0.1586259), wk = 0.0033333 k( 173) = ( 0.3152174 0.1819908 0.1586259), wk = 0.0033333 k( 174) = ( 0.3260870 0.1882664 0.1586259), wk = 0.0033333 k( 175) = ( 0.3369565 0.1945419 0.1586259), wk = 0.0033333 k( 176) = ( 0.3478261 0.2008175 0.1586259), wk = 0.0033333 k( 177) = ( 0.3586956 0.2070930 0.1586259), wk = 0.0033333 k( 178) = ( 0.3695652 0.2133686 0.1586259), wk = 0.0033333 k( 179) = ( 0.3804348 0.2196441 0.1586259), wk = 0.0033333 k( 180) = ( 0.3913044 0.2259197 0.1586259), wk = 0.0033333 k( 181) = ( 0.4021739 0.2321952 0.1586259), wk = 0.0033333 k( 182) = ( 0.4130435 0.2384708 0.1586259), wk = 0.0033333 k( 183) = ( 0.4239130 0.2447463 0.1586259), wk = 0.0033333 k( 184) = ( 0.4347826 0.2510219 0.1586259), wk = 0.0033333 k( 185) = ( 0.4456522 0.2572974 0.1586259), wk = 0.0033333 k( 186) = ( 0.4565217 0.2635729 0.1586259), wk = 0.0033333 k( 187) = ( 0.4673913 0.2698485 0.1586259), wk = 0.0033333 k( 188) = ( 0.4782609 0.2761240 0.1586259), wk = 0.0033333 k( 189) = ( 0.4891304 0.2823996 0.1586259), wk = 0.0033333 k( 190) = ( 0.5000000 0.2886751 0.1586259), wk = 0.0033333 k( 191) = ( 0.5000000 0.2886751 0.1586259), wk = 0.0033333 k( 192) = ( 0.4938272 0.2993668 0.1586259), wk = 0.0033333 k( 193) = ( 0.4876543 0.3100585 0.1586259), wk = 0.0033333 k( 194) = ( 0.4814815 0.3207502 0.1586259), wk = 0.0033333 k( 195) = ( 0.4753086 0.3314418 0.1586259), wk = 0.0033333 k( 196) = ( 0.4691358 0.3421335 0.1586259), wk = 0.0033333 k( 197) = ( 0.4629630 0.3528252 0.1586259), wk = 0.0033333 k( 198) = ( 0.4567901 0.3635168 0.1586259), wk = 0.0033333 k( 199) = ( 0.4506173 0.3742085 0.1586259), wk = 0.0033333 k( 200) = ( 0.4444444 0.3849002 0.1586259), wk = 0.0033333 k( 201) = ( 0.4382716 0.3955918 0.1586259), wk = 0.0033333 k( 202) = ( 0.4320988 0.4062835 0.1586259), wk = 0.0033333 k( 203) = ( 0.4259259 0.4169752 0.1586259), wk = 0.0033333 k( 204) = ( 0.4197531 0.4276669 0.1586259), wk = 0.0033333 k( 205) = ( 0.4135802 0.4383585 0.1586259), wk = 0.0033333 k( 206) = ( 0.4074074 0.4490502 0.1586259), wk = 0.0033333 k( 207) = ( 0.4012346 0.4597419 0.1586259), wk = 0.0033333 k( 208) = ( 0.3950617 0.4704335 0.1586259), wk = 0.0033333 k( 209) = ( 0.3888889 0.4811252 0.1586259), wk = 0.0033333 k( 210) = ( 0.3827160 0.4918169 0.1586259), wk = 0.0033333 k( 211) = ( 0.3765432 0.5025086 0.1586259), wk = 0.0033333 k( 212) = ( 0.3703704 0.5132002 0.1586259), wk = 0.0033333 k( 213) = ( 0.3641975 0.5238919 0.1586259), wk = 0.0033333 k( 214) = ( 0.3580247 0.5345836 0.1586259), wk = 0.0033333 k( 215) = ( 0.3518519 0.5452753 0.1586259), wk = 0.0033333 k( 216) = ( 0.3456790 0.5559669 0.1586259), wk = 0.0033333 k( 217) = ( 0.3395062 0.5666586 0.1586259), wk = 0.0033333 k( 218) = ( 0.3333333 0.5773503 0.1586259), wk = 0.0033333 k( 219) = ( 0.3333333 0.5773503 0.1586259), wk = 0.0033333 k( 220) = ( 0.3270440 0.5664569 0.1586259), wk = 0.0033333 k( 221) = ( 0.3207547 0.5555635 0.1586259), wk = 0.0033333 k( 222) = ( 0.3144654 0.5446701 0.1586259), wk = 0.0033333 k( 223) = ( 0.3081761 0.5337767 0.1586259), wk = 0.0033333 k( 224) = ( 0.3018868 0.5228833 0.1586259), wk = 0.0033333 k( 225) = ( 0.2955975 0.5119899 0.1586259), wk = 0.0033333 k( 226) = ( 0.2893082 0.5010965 0.1586259), wk = 0.0033333 k( 227) = ( 0.2830189 0.4902031 0.1586259), wk = 0.0033333 k( 228) = ( 0.2767296 0.4793097 0.1586259), wk = 0.0033333 k( 229) = ( 0.2704402 0.4684163 0.1586259), wk = 0.0033333 k( 230) = ( 0.2641509 0.4575228 0.1586259), wk = 0.0033333 k( 231) = ( 0.2578616 0.4466295 0.1586259), wk = 0.0033333 k( 232) = ( 0.2515723 0.4357361 0.1586259), wk = 0.0033333 k( 233) = ( 0.2452830 0.4248427 0.1586259), wk = 0.0033333 k( 234) = ( 0.2389937 0.4139492 0.1586259), wk = 0.0033333 k( 235) = ( 0.2327044 0.4030558 0.1586259), wk = 0.0033333 k( 236) = ( 0.2264151 0.3921624 0.1586259), wk = 0.0033333 k( 237) = ( 0.2201258 0.3812691 0.1586259), wk = 0.0033333 k( 238) = ( 0.2138365 0.3703756 0.1586259), wk = 0.0033333 k( 239) = ( 0.2075472 0.3594822 0.1586259), wk = 0.0033333 k( 240) = ( 0.2012579 0.3485888 0.1586259), wk = 0.0033333 k( 241) = ( 0.1949685 0.3376954 0.1586259), wk = 0.0033333 k( 242) = ( 0.1886792 0.3268020 0.1586259), wk = 0.0033333 k( 243) = ( 0.1823899 0.3159086 0.1586259), wk = 0.0033333 k( 244) = ( 0.1761006 0.3050152 0.1586259), wk = 0.0033333 k( 245) = ( 0.1698113 0.2941218 0.1586259), wk = 0.0033333 k( 246) = ( 0.1635220 0.2832284 0.1586259), wk = 0.0033333 k( 247) = ( 0.1572327 0.2723350 0.1586259), wk = 0.0033333 k( 248) = ( 0.1509434 0.2614416 0.1586259), wk = 0.0033333 k( 249) = ( 0.1446541 0.2505482 0.1586259), wk = 0.0033333 k( 250) = ( 0.1383648 0.2396548 0.1586259), wk = 0.0033333 k( 251) = ( 0.1320755 0.2287614 0.1586259), wk = 0.0033333 k( 252) = ( 0.1257862 0.2178680 0.1586259), wk = 0.0033333 k( 253) = ( 0.1194969 0.2069746 0.1586259), wk = 0.0033333 k( 254) = ( 0.1132076 0.1960812 0.1586259), wk = 0.0033333 k( 255) = ( 0.1069182 0.1851878 0.1586259), wk = 0.0033333 k( 256) = ( 0.1006289 0.1742944 0.1586259), wk = 0.0033333 k( 257) = ( 0.0943396 0.1634010 0.1586259), wk = 0.0033333 k( 258) = ( 0.0880503 0.1525076 0.1586259), wk = 0.0033333 k( 259) = ( 0.0817610 0.1416142 0.1586259), wk = 0.0033333 k( 260) = ( 0.0754717 0.1307208 0.1586259), wk = 0.0033333 k( 261) = ( 0.0691824 0.1198274 0.1586259), wk = 0.0033333 k( 262) = ( 0.0628931 0.1089340 0.1586259), wk = 0.0033333 k( 263) = ( 0.0566038 0.0980406 0.1586259), wk = 0.0033333 k( 264) = ( 0.0503145 0.0871472 0.1586259), wk = 0.0033333 k( 265) = ( 0.0440252 0.0762538 0.1586259), wk = 0.0033333 k( 266) = ( 0.0377359 0.0653604 0.1586259), wk = 0.0033333 k( 267) = ( 0.0314465 0.0544670 0.1586259), wk = 0.0033333 k( 268) = ( 0.0251572 0.0435736 0.1586259), wk = 0.0033333 k( 269) = ( 0.0188679 0.0326802 0.1586259), wk = 0.0033333 k( 270) = ( 0.0125786 0.0217868 0.1586259), wk = 0.0033333 k( 271) = ( 0.0062893 0.0108934 0.1586259), wk = 0.0033333 k( 272) = ( 0.0000000 0.0000000 0.1586259), wk = 0.0033333 k( 273) = ( 0.5000000 0.2886751 0.1586259), wk = 0.0033333 k( 274) = ( 0.5000000 0.2886751 0.1464239), wk = 0.0033333 k( 275) = ( 0.5000000 0.2886751 0.1342219), wk = 0.0033333 k( 276) = ( 0.5000000 0.2886751 0.1220199), wk = 0.0033333 k( 277) = ( 0.5000000 0.2886751 0.1098179), wk = 0.0033333 k( 278) = ( 0.5000000 0.2886751 0.0976159), wk = 0.0033333 k( 279) = ( 0.5000000 0.2886751 0.0854139), wk = 0.0033333 k( 280) = ( 0.5000000 0.2886751 0.0732120), wk = 0.0033333 k( 281) = ( 0.5000000 0.2886751 0.0610100), wk = 0.0033333 k( 282) = ( 0.5000000 0.2886751 0.0488080), wk = 0.0033333 k( 283) = ( 0.5000000 0.2886751 0.0366060), wk = 0.0033333 k( 284) = ( 0.5000000 0.2886751 0.0244040), wk = 0.0033333 k( 285) = ( 0.5000000 0.2886751 0.0122020), wk = 0.0033333 k( 286) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0033333 k( 287) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0033333 k( 288) = ( 0.3333333 0.5773503 0.0122020), wk = 0.0033333 k( 289) = ( 0.3333333 0.5773503 0.0244040), wk = 0.0033333 k( 290) = ( 0.3333333 0.5773503 0.0366060), wk = 0.0033333 k( 291) = ( 0.3333333 0.5773503 0.0488080), wk = 0.0033333 k( 292) = ( 0.3333333 0.5773503 0.0610100), wk = 0.0033333 k( 293) = ( 0.3333333 0.5773503 0.0732120), wk = 0.0033333 k( 294) = ( 0.3333333 0.5773503 0.0854139), wk = 0.0033333 k( 295) = ( 0.3333333 0.5773503 0.0976159), wk = 0.0033333 k( 296) = ( 0.3333333 0.5773503 0.1098179), wk = 0.0033333 k( 297) = ( 0.3333333 0.5773503 0.1220199), wk = 0.0033333 k( 298) = ( 0.3333333 0.5773503 0.1342219), wk = 0.0033333 k( 299) = ( 0.3333333 0.5773503 0.1464239), wk = 0.0033333 k( 300) = ( 0.3333333 0.5773503 0.1586259), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0033333 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0033333 k( 4) = ( 0.0326087 0.0000000 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0033333 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0033333 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0033333 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0033333 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0033333 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0033333 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0033333 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0033333 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0033333 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0033333 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0033333 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0033333 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0033333 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0033333 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0033333 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0033333 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0033333 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0033333 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0033333 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0033333 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0033333 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0033333 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0033333 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0033333 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0033333 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0033333 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0033333 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0033333 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0033333 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0033333 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0033333 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0033333 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0033333 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0033333 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0033333 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0033333 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0033333 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0033333 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0033333 k( 44) = ( 0.4673913 0.0000000 0.0000000), wk = 0.0033333 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0033333 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0033333 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 49) = ( 0.4938272 0.0123457 -0.0000000), wk = 0.0033333 k( 50) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0033333 k( 51) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0033333 k( 52) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0033333 k( 53) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0033333 k( 54) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0033333 k( 55) = ( 0.4567901 0.0864198 0.0000000), wk = 0.0033333 k( 56) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0033333 k( 57) = ( 0.4444444 0.1111111 -0.0000000), wk = 0.0033333 k( 58) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0033333 k( 59) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0033333 k( 60) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0033333 k( 61) = ( 0.4197531 0.1604938 -0.0000000), wk = 0.0033333 k( 62) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0033333 k( 63) = ( 0.4074074 0.1851852 -0.0000000), wk = 0.0033333 k( 64) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0033333 k( 65) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0033333 k( 66) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0033333 k( 67) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0033333 k( 68) = ( 0.3765432 0.2469136 0.0000000), wk = 0.0033333 k( 69) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0033333 k( 70) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0033333 k( 71) = ( 0.3580247 0.2839506 -0.0000000), wk = 0.0033333 k( 72) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0033333 k( 73) = ( 0.3456790 0.3086420 0.0000000), wk = 0.0033333 k( 74) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0033333 k( 75) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033333 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033333 k( 77) = ( 0.3270440 0.3270440 0.0000000), wk = 0.0033333 k( 78) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0033333 k( 79) = ( 0.3144654 0.3144654 0.0000000), wk = 0.0033333 k( 80) = ( 0.3081761 0.3081761 -0.0000000), wk = 0.0033333 k( 81) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0033333 k( 82) = ( 0.2955975 0.2955975 0.0000000), wk = 0.0033333 k( 83) = ( 0.2893082 0.2893082 0.0000000), wk = 0.0033333 k( 84) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0033333 k( 85) = ( 0.2767296 0.2767296 0.0000000), wk = 0.0033333 k( 86) = ( 0.2704402 0.2704403 0.0000000), wk = 0.0033333 k( 87) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0033333 k( 88) = ( 0.2578616 0.2578616 0.0000000), wk = 0.0033333 k( 89) = ( 0.2515723 0.2515723 0.0000000), wk = 0.0033333 k( 90) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0033333 k( 91) = ( 0.2389937 0.2389937 0.0000000), wk = 0.0033333 k( 92) = ( 0.2327044 0.2327044 -0.0000000), wk = 0.0033333 k( 93) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0033333 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0033333 k( 95) = ( 0.2138365 0.2138365 -0.0000000), wk = 0.0033333 k( 96) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0033333 k( 97) = ( 0.2012579 0.2012579 0.0000000), wk = 0.0033333 k( 98) = ( 0.1949685 0.1949686 0.0000000), wk = 0.0033333 k( 99) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0033333 k( 100) = ( 0.1823899 0.1823899 0.0000000), wk = 0.0033333 k( 101) = ( 0.1761006 0.1761006 0.0000000), wk = 0.0033333 k( 102) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0033333 k( 103) = ( 0.1635220 0.1635220 0.0000000), wk = 0.0033333 k( 104) = ( 0.1572327 0.1572327 0.0000000), wk = 0.0033333 k( 105) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0033333 k( 106) = ( 0.1446541 0.1446541 0.0000000), wk = 0.0033333 k( 107) = ( 0.1383648 0.1383648 0.0000000), wk = 0.0033333 k( 108) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0033333 k( 109) = ( 0.1257862 0.1257862 0.0000000), wk = 0.0033333 k( 110) = ( 0.1194969 0.1194969 0.0000000), wk = 0.0033333 k( 111) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0033333 k( 112) = ( 0.1069182 0.1069182 -0.0000000), wk = 0.0033333 k( 113) = ( 0.1006289 0.1006289 0.0000000), wk = 0.0033333 k( 114) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0033333 k( 115) = ( 0.0880503 0.0880503 0.0000000), wk = 0.0033333 k( 116) = ( 0.0817610 0.0817610 0.0000000), wk = 0.0033333 k( 117) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0033333 k( 118) = ( 0.0691824 0.0691824 0.0000000), wk = 0.0033333 k( 119) = ( 0.0628931 0.0628931 0.0000000), wk = 0.0033333 k( 120) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0033333 k( 121) = ( 0.0503145 0.0503145 0.0000000), wk = 0.0033333 k( 122) = ( 0.0440252 0.0440252 -0.0000000), wk = 0.0033333 k( 123) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0033333 k( 124) = ( 0.0314465 0.0314465 0.0000000), wk = 0.0033333 k( 125) = ( 0.0251572 0.0251572 0.0000000), wk = 0.0033333 k( 126) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0033333 k( 127) = ( 0.0125786 0.0125786 0.0000000), wk = 0.0033333 k( 128) = ( 0.0062893 0.0062893 0.0000000), wk = 0.0033333 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0033333 k( 141) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0033333 k( 142) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0033333 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 145) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0033333 k( 146) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0033333 k( 147) = ( 0.0326087 0.0000000 0.5000000), wk = 0.0033333 k( 148) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0033333 k( 149) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0033333 k( 150) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0033333 k( 151) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0033333 k( 152) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0033333 k( 153) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0033333 k( 154) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0033333 k( 155) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0033333 k( 156) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0033333 k( 157) = ( 0.1413043 0.0000000 0.5000000), wk = 0.0033333 k( 158) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0033333 k( 159) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0033333 k( 160) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0033333 k( 161) = ( 0.1847826 0.0000000 0.5000000), wk = 0.0033333 k( 162) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0033333 k( 163) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0033333 k( 164) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0033333 k( 165) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0033333 k( 166) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0033333 k( 167) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0033333 k( 168) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0033333 k( 169) = ( 0.2717391 0.0000000 0.5000000), wk = 0.0033333 k( 170) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0033333 k( 171) = ( 0.2934783 0.0000000 0.5000000), wk = 0.0033333 k( 172) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0033333 k( 173) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0033333 k( 174) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0033333 k( 175) = ( 0.3369565 0.0000000 0.5000000), wk = 0.0033333 k( 176) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0033333 k( 177) = ( 0.3586956 0.0000000 0.5000000), wk = 0.0033333 k( 178) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0033333 k( 179) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0033333 k( 180) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0033333 k( 181) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0033333 k( 182) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0033333 k( 183) = ( 0.4239130 0.0000000 0.5000000), wk = 0.0033333 k( 184) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0033333 k( 185) = ( 0.4456522 0.0000000 0.5000000), wk = 0.0033333 k( 186) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0033333 k( 187) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0033333 k( 188) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0033333 k( 189) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0033333 k( 190) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 191) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 192) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0033333 k( 193) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0033333 k( 194) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0033333 k( 195) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0033333 k( 196) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0033333 k( 197) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0033333 k( 198) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0033333 k( 199) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0033333 k( 200) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0033333 k( 201) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0033333 k( 202) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0033333 k( 203) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0033333 k( 204) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0033333 k( 205) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0033333 k( 206) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0033333 k( 207) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0033333 k( 208) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0033333 k( 209) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0033333 k( 210) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0033333 k( 211) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0033333 k( 212) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0033333 k( 213) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0033333 k( 214) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0033333 k( 215) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0033333 k( 216) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0033333 k( 217) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0033333 k( 218) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 219) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 k( 220) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0033333 k( 221) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0033333 k( 222) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0033333 k( 223) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0033333 k( 224) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0033333 k( 225) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0033333 k( 226) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0033333 k( 227) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0033333 k( 228) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0033333 k( 229) = ( 0.2704402 0.2704403 0.5000000), wk = 0.0033333 k( 230) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0033333 k( 231) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0033333 k( 232) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0033333 k( 233) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0033333 k( 234) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0033333 k( 235) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0033333 k( 236) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0033333 k( 237) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0033333 k( 238) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0033333 k( 239) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0033333 k( 240) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0033333 k( 241) = ( 0.1949685 0.1949686 0.5000000), wk = 0.0033333 k( 242) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0033333 k( 243) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0033333 k( 244) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0033333 k( 245) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0033333 k( 246) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0033333 k( 247) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0033333 k( 248) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0033333 k( 249) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0033333 k( 250) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0033333 k( 251) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0033333 k( 252) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0033333 k( 253) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0033333 k( 254) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0033333 k( 255) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0033333 k( 256) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0033333 k( 257) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0033333 k( 258) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0033333 k( 259) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0033333 k( 260) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0033333 k( 261) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0033333 k( 262) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0033333 k( 263) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0033333 k( 264) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0033333 k( 265) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0033333 k( 266) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0033333 k( 267) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0033333 k( 268) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0033333 k( 269) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0033333 k( 270) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0033333 k( 271) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0033333 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 273) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033333 k( 274) = ( 0.5000000 0.0000000 0.4615385), wk = 0.0033333 k( 275) = ( 0.5000000 0.0000000 0.4230769), wk = 0.0033333 k( 276) = ( 0.5000000 0.0000000 0.3846154), wk = 0.0033333 k( 277) = ( 0.5000000 0.0000000 0.3461539), wk = 0.0033333 k( 278) = ( 0.5000000 0.0000000 0.3076923), wk = 0.0033333 k( 279) = ( 0.5000000 0.0000000 0.2692308), wk = 0.0033333 k( 280) = ( 0.5000000 0.0000000 0.2307692), wk = 0.0033333 k( 281) = ( 0.5000000 0.0000000 0.1923077), wk = 0.0033333 k( 282) = ( 0.5000000 0.0000000 0.1538461), wk = 0.0033333 k( 283) = ( 0.5000000 0.0000000 0.1153846), wk = 0.0033333 k( 284) = ( 0.5000000 0.0000000 0.0769231), wk = 0.0033333 k( 285) = ( 0.5000000 0.0000000 0.0384615), wk = 0.0033333 k( 286) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0033333 k( 287) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0033333 k( 288) = ( 0.3333333 0.3333333 0.0384615), wk = 0.0033333 k( 289) = ( 0.3333333 0.3333333 0.0769231), wk = 0.0033333 k( 290) = ( 0.3333333 0.3333333 0.1153846), wk = 0.0033333 k( 291) = ( 0.3333333 0.3333333 0.1538461), wk = 0.0033333 k( 292) = ( 0.3333333 0.3333333 0.1923077), wk = 0.0033333 k( 293) = ( 0.3333333 0.3333333 0.2307692), wk = 0.0033333 k( 294) = ( 0.3333333 0.3333333 0.2692308), wk = 0.0033333 k( 295) = ( 0.3333333 0.3333333 0.3076923), wk = 0.0033333 k( 296) = ( 0.3333333 0.3333333 0.3461538), wk = 0.0033333 k( 297) = ( 0.3333333 0.3333333 0.3846154), wk = 0.0033333 k( 298) = ( 0.3333333 0.3333333 0.4230769), wk = 0.0033333 k( 299) = ( 0.3333333 0.3333333 0.4615385), wk = 0.0033333 k( 300) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0033333 Dense grid: 318137 G-vectors FFT dimensions: ( 64, 64, 192) Smooth grid: 55535 G-vectors FFT dimensions: ( 36, 36, 108) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 308, 62) NL pseudopotentials 0.29 Mb ( 154, 124) Each V/rho on FFT grid 0.25 Mb ( 16384) Each G-vector array 0.05 Mb ( 6629) G-vector shells 0.02 Mb ( 3136) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 308, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.23 Mb ( 124, 2, 62) The potential is recalculated from file : ./CdBr2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 47.2 secs Computing kpt #: 3 total cpu time spent up to now is 52.8 secs Computing kpt #: 4 total cpu time spent up to now is 57.6 secs Computing kpt #: 5 total cpu time spent up to now is 63.1 secs Computing kpt #: 6 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 69.6 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 76.4 secs Computing kpt #: 8 total cpu time spent up to now is 83.1 secs Computing kpt #: 9 total cpu time spent up to now is 88.1 secs Computing kpt #: 10 total cpu time spent up to now is 92.9 secs Computing kpt #: 11 total cpu time spent up to now is 96.7 secs Computing kpt #: 12 total cpu time spent up to now is 100.1 secs Computing kpt #: 13 total cpu time spent up to now is 104.2 secs Computing kpt #: 14 total cpu time spent up to now is 108.0 secs Computing kpt #: 15 total cpu time spent up to now is 112.8 secs Computing kpt #: 16 total cpu time spent up to now is 116.4 secs Computing kpt #: 17 total cpu time spent up to now is 119.4 secs Computing kpt #: 18 total cpu time spent up to now is 122.5 secs Computing kpt #: 19 total cpu time spent up to now is 125.4 secs Computing kpt #: 20 total cpu time spent up to now is 128.4 secs Computing kpt #: 21 total cpu time spent up to now is 133.5 secs Computing kpt #: 22 total cpu time spent up to now is 137.5 secs Computing kpt #: 23 total cpu time spent up to now is 142.0 secs Computing kpt #: 24 total cpu time spent up to now is 147.1 secs Computing kpt #: 25 total cpu time spent up to now is 152.1 secs Computing kpt #: 26 total cpu time spent up to now is 157.2 secs Computing kpt #: 27 total cpu time spent up to now is 162.6 secs Computing kpt #: 28 total cpu time spent up to now is 168.0 secs Computing kpt #: 29 total cpu time spent up to now is 173.9 secs Computing kpt #: 30 total cpu time spent up to now is 179.3 secs Computing kpt #: 31 total cpu time spent up to now is 184.3 secs Computing kpt #: 32 total cpu time spent up to now is 190.3 secs Computing kpt #: 33 total cpu time spent up to now is 196.6 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.0 secs Computing kpt #: 35 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 210.2 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.0 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.5 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 230.6 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.3 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.0 secs Computing kpt #: 41 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.0 secs Computing kpt #: 42 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.4 secs Computing kpt #: 43 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.0 secs Computing kpt #: 44 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 273.3 secs Computing kpt #: 45 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 280.6 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.9 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.1 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.3 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.7 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.6 secs Computing kpt #: 51 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.5 secs Computing kpt #: 52 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.8 secs Computing kpt #: 53 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.2 secs Computing kpt #: 54 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 345.0 secs Computing kpt #: 55 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 352.9 secs Computing kpt #: 56 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 360.4 secs Computing kpt #: 57 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 367.4 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 377.7 secs Computing kpt #: 59 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.7 secs Computing kpt #: 60 total cpu time spent up to now is 394.7 secs Computing kpt #: 61 total cpu time spent up to now is 400.3 secs Computing kpt #: 62 total cpu time spent up to now is 406.5 secs Computing kpt #: 63 total cpu time spent up to now is 413.2 secs Computing kpt #: 64 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.5 secs Computing kpt #: 65 total cpu time spent up to now is 424.3 secs Computing kpt #: 66 total cpu time spent up to now is 427.7 secs Computing kpt #: 67 total cpu time spent up to now is 431.4 secs Computing kpt #: 68 total cpu time spent up to now is 434.8 secs Computing kpt #: 69 total cpu time spent up to now is 438.3 secs Computing kpt #: 70 total cpu time spent up to now is 441.9 secs Computing kpt #: 71 total cpu time spent up to now is 445.5 secs Computing kpt #: 72 total cpu time spent up to now is 449.0 secs Computing kpt #: 73 total cpu time spent up to now is 453.3 secs Computing kpt #: 74 total cpu time spent up to now is 457.0 secs Computing kpt #: 75 total cpu time spent up to now is 459.9 secs Computing kpt #: 76 total cpu time spent up to now is 462.9 secs Computing kpt #: 77 total cpu time spent up to now is 466.7 secs Computing kpt #: 78 total cpu time spent up to now is 470.2 secs Computing kpt #: 79 total cpu time spent up to now is 473.3 secs Computing kpt #: 80 total cpu time spent up to now is 477.5 secs Computing kpt #: 81 total cpu time spent up to now is 481.1 secs Computing kpt #: 82 total cpu time spent up to now is 484.3 secs Computing kpt #: 83 total cpu time spent up to now is 487.8 secs Computing kpt #: 84 total cpu time spent up to now is 490.9 secs Computing kpt #: 85 total cpu time spent up to now is 494.1 secs Computing kpt #: 86 total cpu time spent up to now is 497.2 secs Computing kpt #: 87 total cpu time spent up to now is 500.2 secs Computing kpt #: 88 total cpu time spent up to now is 503.9 secs Computing kpt #: 89 total cpu time spent up to now is 509.7 secs Computing kpt #: 90 total cpu time spent up to now is 512.7 secs Computing kpt #: 91 total cpu time spent up to now is 515.7 secs Computing kpt #: 92 total cpu time spent up to now is 519.0 secs Computing kpt #: 93 total cpu time spent up to now is 522.5 secs Computing kpt #: 94 total cpu time spent up to now is 526.8 secs Computing kpt #: 95 total cpu time spent up to now is 530.5 secs Computing kpt #: 96 total cpu time spent up to now is 533.8 secs Computing kpt #: 97 total cpu time spent up to now is 539.4 secs Computing kpt #: 98 total cpu time spent up to now is 543.3 secs Computing kpt #: 99 total cpu time spent up to now is 548.2 secs Computing kpt #: 100 total cpu time spent up to now is 552.2 secs Computing kpt #: 101 total cpu time spent up to now is 555.8 secs Computing kpt #: 102 total cpu time spent up to now is 560.9 secs Computing kpt #: 103 total cpu time spent up to now is 565.2 secs Computing kpt #: 104 total cpu time spent up to now is 568.6 secs Computing kpt #: 105 total cpu time spent up to now is 572.3 secs Computing kpt #: 106 total cpu time spent up to now is 575.6 secs Computing kpt #: 107 total cpu time spent up to now is 578.7 secs Computing kpt #: 108 total cpu time spent up to now is 582.3 secs Computing kpt #: 109 total cpu time spent up to now is 585.3 secs Computing kpt #: 110 total cpu time spent up to now is 588.6 secs Computing kpt #: 111 total cpu time spent up to now is 591.6 secs Computing kpt #: 112 total cpu time spent up to now is 594.7 secs Computing kpt #: 113 total cpu time spent up to now is 598.3 secs Computing kpt #: 114 total cpu time spent up to now is 601.3 secs Computing kpt #: 115 total cpu time spent up to now is 604.6 secs Computing kpt #: 116 total cpu time spent up to now is 607.9 secs Computing kpt #: 117 total cpu time spent up to now is 613.3 secs Computing kpt #: 118 total cpu time spent up to now is 616.9 secs Computing kpt #: 119 total cpu time spent up to now is 620.6 secs Computing kpt #: 120 total cpu time spent up to now is 624.7 secs Computing kpt #: 121 total cpu time spent up to now is 630.3 secs Computing kpt #: 122 total cpu time spent up to now is 636.8 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 643.5 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 650.4 secs Computing kpt #: 125 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 656.8 secs Computing kpt #: 126 total cpu time spent up to now is 661.7 secs Computing kpt #: 127 total cpu time spent up to now is 666.8 secs Computing kpt #: 128 total cpu time spent up to now is 672.6 secs Computing kpt #: 129 total cpu time spent up to now is 677.6 secs Computing kpt #: 130 total cpu time spent up to now is 682.1 secs Computing kpt #: 131 total cpu time spent up to now is 686.8 secs Computing kpt #: 132 total cpu time spent up to now is 691.0 secs Computing kpt #: 133 total cpu time spent up to now is 696.9 secs Computing kpt #: 134 total cpu time spent up to now is 702.2 secs Computing kpt #: 135 total cpu time spent up to now is 706.8 secs Computing kpt #: 136 total cpu time spent up to now is 711.0 secs Computing kpt #: 137 total cpu time spent up to now is 716.1 secs Computing kpt #: 138 total cpu time spent up to now is 720.9 secs Computing kpt #: 139 total cpu time spent up to now is 727.0 secs Computing kpt #: 140 total cpu time spent up to now is 733.3 secs Computing kpt #: 141 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 740.5 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 746.7 secs Computing kpt #: 143 total cpu time spent up to now is 750.7 secs Computing kpt #: 144 total cpu time spent up to now is 753.8 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.1 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 766.4 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 773.1 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 779.4 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.8 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.4 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 799.4 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 805.9 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.6 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 818.9 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 825.8 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 832.2 secs Computing kpt #: 157 total cpu time spent up to now is 837.7 secs Computing kpt #: 158 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 844.2 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 850.9 secs Computing kpt #: 160 total cpu time spent up to now is 854.1 secs Computing kpt #: 161 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 860.9 secs Computing kpt #: 162 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 867.1 secs Computing kpt #: 163 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 873.9 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 880.1 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 887.1 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 894.1 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 901.3 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 907.9 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 914.2 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 920.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 927.7 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 934.9 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 941.8 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 948.7 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 955.8 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 962.3 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 969.2 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 975.7 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 984.2 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 991.1 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 999.0 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1005.2 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1012.0 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1019.5 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1026.2 secs Computing kpt #: 186 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1032.5 secs Computing kpt #: 187 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1038.8 secs Computing kpt #: 188 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1045.2 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1051.5 secs Computing kpt #: 190 total cpu time spent up to now is 1055.2 secs Computing kpt #: 191 total cpu time spent up to now is 1059.4 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1066.1 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1072.8 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1080.1 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1086.8 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1093.1 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1099.4 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1106.0 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1112.9 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1119.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1126.8 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1133.5 secs Computing kpt #: 203 total cpu time spent up to now is 1139.9 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1146.4 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1152.5 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1159.9 secs Computing kpt #: 207 total cpu time spent up to now is 1166.0 secs Computing kpt #: 208 total cpu time spent up to now is 1171.3 secs Computing kpt #: 209 total cpu time spent up to now is 1176.7 secs Computing kpt #: 210 total cpu time spent up to now is 1182.3 secs Computing kpt #: 211 total cpu time spent up to now is 1186.9 secs Computing kpt #: 212 total cpu time spent up to now is 1192.9 secs Computing kpt #: 213 total cpu time spent up to now is 1196.7 secs Computing kpt #: 214 total cpu time spent up to now is 1201.3 secs Computing kpt #: 215 total cpu time spent up to now is 1205.3 secs Computing kpt #: 216 total cpu time spent up to now is 1209.6 secs Computing kpt #: 217 total cpu time spent up to now is 1213.7 secs Computing kpt #: 218 total cpu time spent up to now is 1218.0 secs Computing kpt #: 219 total cpu time spent up to now is 1222.6 secs Computing kpt #: 220 total cpu time spent up to now is 1227.1 secs Computing kpt #: 221 total cpu time spent up to now is 1231.0 secs Computing kpt #: 222 total cpu time spent up to now is 1235.0 secs Computing kpt #: 223 total cpu time spent up to now is 1239.2 secs Computing kpt #: 224 total cpu time spent up to now is 1243.0 secs Computing kpt #: 225 total cpu time spent up to now is 1247.2 secs Computing kpt #: 226 total cpu time spent up to now is 1251.0 secs Computing kpt #: 227 total cpu time spent up to now is 1254.7 secs Computing kpt #: 228 total cpu time spent up to now is 1258.7 secs Computing kpt #: 229 total cpu time spent up to now is 1262.7 secs Computing kpt #: 230 total cpu time spent up to now is 1267.1 secs Computing kpt #: 231 total cpu time spent up to now is 1271.3 secs Computing kpt #: 232 total cpu time spent up to now is 1275.1 secs Computing kpt #: 233 total cpu time spent up to now is 1279.7 secs Computing kpt #: 234 total cpu time spent up to now is 1284.1 secs Computing kpt #: 235 total cpu time spent up to now is 1289.0 secs Computing kpt #: 236 total cpu time spent up to now is 1293.5 secs Computing kpt #: 237 total cpu time spent up to now is 1297.9 secs Computing kpt #: 238 total cpu time spent up to now is 1301.9 secs Computing kpt #: 239 total cpu time spent up to now is 1307.0 secs Computing kpt #: 240 total cpu time spent up to now is 1311.4 secs Computing kpt #: 241 total cpu time spent up to now is 1315.4 secs Computing kpt #: 242 total cpu time spent up to now is 1321.7 secs Computing kpt #: 243 total cpu time spent up to now is 1325.7 secs Computing kpt #: 244 total cpu time spent up to now is 1330.4 secs Computing kpt #: 245 total cpu time spent up to now is 1334.3 secs Computing kpt #: 246 total cpu time spent up to now is 1337.3 secs Computing kpt #: 247 total cpu time spent up to now is 1340.9 secs Computing kpt #: 248 total cpu time spent up to now is 1345.3 secs Computing kpt #: 249 total cpu time spent up to now is 1349.1 secs Computing kpt #: 250 total cpu time spent up to now is 1353.4 secs Computing kpt #: 251 total cpu time spent up to now is 1357.4 secs Computing kpt #: 252 total cpu time spent up to now is 1362.4 secs Computing kpt #: 253 total cpu time spent up to now is 1367.7 secs Computing kpt #: 254 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1377.7 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1385.8 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1393.9 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1400.5 secs Computing kpt #: 258 total cpu time spent up to now is 1405.4 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1411.9 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1418.2 secs Computing kpt #: 261 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1424.5 secs Computing kpt #: 262 total cpu time spent up to now is 1429.6 secs Computing kpt #: 263 total cpu time spent up to now is 1434.9 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1441.3 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1447.9 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1455.0 secs Computing kpt #: 267 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1461.6 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1468.6 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1474.8 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1481.0 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1487.1 secs Computing kpt #: 272 total cpu time spent up to now is 1491.2 secs Computing kpt #: 273 total cpu time spent up to now is 1494.6 secs Computing kpt #: 274 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1500.6 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1507.0 secs Computing kpt #: 276 total cpu time spent up to now is 1513.4 secs Computing kpt #: 277 total cpu time spent up to now is 1518.6 secs Computing kpt #: 278 total cpu time spent up to now is 1524.2 secs Computing kpt #: 279 total cpu time spent up to now is 1529.3 secs Computing kpt #: 280 total cpu time spent up to now is 1535.4 secs Computing kpt #: 281 total cpu time spent up to now is 1540.9 secs Computing kpt #: 282 total cpu time spent up to now is 1549.5 secs Computing kpt #: 283 total cpu time spent up to now is 1555.3 secs Computing kpt #: 284 total cpu time spent up to now is 1562.0 secs Computing kpt #: 285 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1568.9 secs Computing kpt #: 286 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1575.7 secs Computing kpt #: 287 total cpu time spent up to now is 1579.0 secs Computing kpt #: 288 total cpu time spent up to now is 1582.3 secs Computing kpt #: 289 total cpu time spent up to now is 1586.7 secs Computing kpt #: 290 total cpu time spent up to now is 1590.3 secs Computing kpt #: 291 total cpu time spent up to now is 1594.6 secs Computing kpt #: 292 total cpu time spent up to now is 1598.1 secs Computing kpt #: 293 total cpu time spent up to now is 1601.6 secs Computing kpt #: 294 total cpu time spent up to now is 1605.7 secs Computing kpt #: 295 total cpu time spent up to now is 1609.6 secs Computing kpt #: 296 total cpu time spent up to now is 1613.7 secs Computing kpt #: 297 total cpu time spent up to now is 1618.3 secs Computing kpt #: 298 total cpu time spent up to now is 1622.6 secs Computing kpt #: 299 total cpu time spent up to now is 1626.7 secs Computing kpt #: 300 total cpu time spent up to now is 1630.5 secs ethr = 1.92E-11, avg # of iterations = 77.2 total cpu time spent up to now is 1630.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6983 PWs) bands (ev): -10.3206 -10.3206 -10.1615 -10.1615 -9.9026 -9.9026 -9.7126 -9.7126 -3.7760 -3.7760 -3.7753 -3.7753 -3.7133 -3.7133 -3.7048 -3.7048 -3.1857 -3.1857 -3.1740 -3.1740 -2.9924 -2.9924 -2.9916 -2.9916 -2.9700 -2.9700 -2.9598 -2.9598 0.0449 0.0449 0.6626 0.6626 1.9704 1.9704 2.7442 2.7442 2.8123 2.8123 3.1111 3.1111 3.1766 3.1766 3.2409 3.2409 3.3079 3.3079 3.4489 3.4489 3.4957 3.4957 3.6328 3.6328 6.3271 6.3271 7.5931 7.5931 8.8413 8.8413 8.8737 8.8737 11.4081 11.4081 k = 0.0109 0.0063-0.0000 ( 6989 PWs) bands (ev): -10.3202 -10.3202 -10.1610 -10.1610 -9.9024 -9.9024 -9.7126 -9.7126 -3.7758 -3.7758 -3.7752 -3.7751 -3.7131 -3.7131 -3.7047 -3.7047 -3.1855 -3.1854 -3.1738 -3.1737 -2.9924 -2.9924 -2.9916 -2.9916 -2.9700 -2.9700 -2.9598 -2.9598 0.0453 0.0454 0.6617 0.6618 1.9710 1.9711 2.7417 2.7422 2.8110 2.8111 3.1042 3.1043 3.1788 3.1791 3.2326 3.2326 3.3113 3.3113 3.4464 3.4465 3.4958 3.4959 3.6308 3.6308 6.3327 6.3330 7.5944 7.5949 8.8466 8.8466 8.8786 8.8787 11.4064 11.4082 k = 0.0217 0.0126-0.0000 ( 6993 PWs) bands (ev): -10.3187 -10.3187 -10.1597 -10.1597 -9.9019 -9.9019 -9.7124 -9.7124 -3.7754 -3.7753 -3.7748 -3.7747 -3.7128 -3.7127 -3.7044 -3.7044 -3.1847 -3.1846 -3.1733 -3.1731 -2.9924 -2.9924 -2.9917 -2.9917 -2.9699 -2.9698 -2.9597 -2.9596 0.0465 0.0466 0.6590 0.6592 1.9729 1.9730 2.7347 2.7356 2.8072 2.8076 3.0862 3.0867 3.1815 3.1820 3.2130 3.2132 3.3173 3.3174 3.4395 3.4397 3.4957 3.4959 3.6250 3.6250 6.3496 6.3502 7.5990 7.5999 8.8623 8.8623 8.8933 8.8936 11.4026 11.4063 k = 0.0326 0.0188-0.0000 ( 6989 PWs) bands (ev): -10.3162 -10.3162 -10.1575 -10.1575 -9.9011 -9.9011 -9.7122 -9.7122 -3.7745 -3.7744 -3.7740 -3.7740 -3.7121 -3.7120 -3.7039 -3.7039 -3.1835 -3.1834 -3.1723 -3.1721 -2.9925 -2.9925 -2.9919 -2.9919 -2.9696 -2.9695 -2.9594 -2.9593 0.0486 0.0487 0.6545 0.6548 1.9761 1.9762 2.7229 2.7242 2.8009 2.8016 3.0609 3.0621 3.1686 3.1708 3.1980 3.1999 3.3210 3.3211 3.4298 3.4299 3.4944 3.4950 3.6159 3.6161 6.3773 6.3782 7.6065 7.6080 8.8882 8.8883 8.9175 8.9181 11.3958 11.4016 k = 0.0435 0.0251-0.0000 ( 6993 PWs) bands (ev): -10.3127 -10.3127 -10.1545 -10.1545 -9.9000 -9.9000 -9.7118 -9.7118 -3.7733 -3.7732 -3.7730 -3.7730 -3.7111 -3.7110 -3.7032 -3.7031 -3.1818 -3.1817 -3.1709 -3.1707 -2.9925 -2.9925 -2.9921 -2.9921 -2.9692 -2.9690 -2.9591 -2.9590 0.0514 0.0516 0.6483 0.6487 1.9804 1.9806 2.7059 2.7076 2.7921 2.7932 3.0303 3.0322 3.1351 3.1391 3.1944 3.1984 3.3200 3.3203 3.4187 3.4187 3.4911 3.4924 3.6048 3.6049 6.4153 6.4165 7.6168 7.6187 8.9238 8.9240 8.9511 8.9519 11.3845 11.3927 k = 0.0543 0.0314-0.0000 ( 6993 PWs) bands (ev): -10.3083 -10.3083 -10.1506 -10.1506 -9.8986 -9.8986 -9.7113 -9.7113 -3.7718 -3.7718 -3.7717 -3.7717 -3.7099 -3.7098 -3.7023 -3.7022 -3.1797 -3.1795 -3.1692 -3.1690 -2.9927 -2.9926 -2.9924 -2.9923 -2.9686 -2.9685 -2.9586 -2.9585 0.0551 0.0553 0.6403 0.6408 1.9857 1.9860 2.6835 2.6855 2.7806 2.7824 2.9956 2.9979 3.0943 3.1008 3.1891 3.1958 3.3132 3.3137 3.4070 3.4073 3.4848 3.4879 3.5929 3.5931 6.4626 6.4641 7.6295 7.6319 8.9687 8.9688 8.9934 8.9944 11.3663 11.3762 k = 0.0652 0.0377-0.0000 ( 7005 PWs) bands (ev): -10.3030 -10.3030 -10.1459 -10.1459 -9.8969 -9.8969 -9.7108 -9.7108 -3.7703 -3.7702 -3.7700 -3.7699 -3.7084 -3.7083 -3.7012 -3.7011 -3.1771 -3.1769 -3.1671 -3.1669 -2.9929 -2.9928 -2.9926 -2.9926 -2.9679 -2.9678 -2.9580 -2.9579 0.0595 0.0598 0.6305 0.6312 1.9920 1.9923 2.6551 2.6573 2.7661 2.7690 2.9572 2.9595 3.0497 3.0596 3.1791 3.1893 3.3005 3.3009 3.3950 3.3966 3.4749 3.4813 3.5818 3.5829 6.5182 6.5200 7.6441 7.6469 9.0219 9.0219 9.0439 9.0452 11.3333 11.3371 k = 0.0761 0.0439-0.0000 ( 7003 PWs) bands (ev): -10.2966 -10.2966 -10.1403 -10.1403 -9.8949 -9.8949 -9.7101 -9.7101 -3.7686 -3.7685 -3.7679 -3.7678 -3.7066 -3.7065 -3.6998 -3.6997 -3.1741 -3.1739 -3.1647 -3.1644 -2.9932 -2.9931 -2.9928 -2.9927 -2.9670 -2.9669 -2.9572 -2.9571 0.0646 0.0650 0.6190 0.6199 1.9988 1.9992 2.6205 2.6226 2.7482 2.7527 2.9161 2.9177 3.0029 3.0175 3.1639 3.1781 3.2816 3.2820 3.3828 3.3868 3.4615 3.4728 3.5730 3.5754 6.5811 6.5832 7.6601 7.6634 9.0824 9.0826 9.1022 9.1035 11.2703 11.2742 k = 0.0870 0.0502-0.0000 ( 7001 PWs) bands (ev): -10.2894 -10.2894 -10.1340 -10.1340 -9.8926 -9.8926 -9.7094 -9.7094 -3.7666 -3.7665 -3.7657 -3.7656 -3.7044 -3.7043 -3.6982 -3.6980 -3.1707 -3.1704 -3.1619 -3.1615 -2.9936 -2.9935 -2.9928 -2.9928 -2.9660 -2.9659 -2.9563 -2.9562 0.0705 0.0710 0.6058 0.6068 2.0058 2.0064 2.5796 2.5813 2.7261 2.7328 2.8734 2.8734 2.9552 2.9755 3.1435 3.1623 3.2559 3.2574 3.3707 3.3779 3.4458 3.4627 3.5671 3.5709 6.6501 6.6525 7.6769 7.6807 9.1486 9.1497 9.1677 9.1685 11.1934 11.2003 k = 0.0978 0.0565-0.0000 ( 6999 PWs) bands (ev): -10.2813 -10.2813 -10.1268 -10.1268 -9.8901 -9.8901 -9.7086 -9.7086 -3.7645 -3.7643 -3.7632 -3.7631 -3.7019 -3.7017 -3.6964 -3.6961 -3.1669 -3.1666 -3.1588 -3.1584 -2.9940 -2.9939 -2.9929 -2.9929 -2.9648 -2.9647 -2.9552 -2.9551 0.0770 0.0776 0.5909 0.5920 2.0126 2.0134 2.5330 2.5336 2.6985 2.7078 2.8285 2.8308 2.9073 2.9343 3.1185 3.1422 3.2238 3.2268 3.3591 3.3693 3.4300 3.4519 3.5639 3.5688 6.7241 6.7268 7.6940 7.6983 9.2189 9.2218 9.2393 9.2399 11.1123 11.1212 k = 0.1087 0.0628-0.0000 ( 6995 PWs) bands (ev): -10.2723 -10.2723 -10.1190 -10.1190 -9.8872 -9.8872 -9.7077 -9.7077 -3.7622 -3.7620 -3.7606 -3.7604 -3.6990 -3.6989 -3.6942 -3.6939 -3.1628 -3.1625 -3.1554 -3.1550 -2.9944 -2.9943 -2.9929 -2.9928 -2.9634 -2.9633 -2.9540 -2.9539 0.0842 0.0849 0.5743 0.5757 2.0181 2.0194 2.4807 2.4816 2.6631 2.6757 2.7857 2.7909 2.8596 2.8939 3.0899 3.1185 3.1860 3.1906 3.3485 3.3603 3.4158 3.4410 3.5630 3.5683 6.8019 6.8049 7.7107 7.7153 9.2916 9.2973 9.3150 9.3177 11.0307 11.0412 k = 0.1196 0.0690-0.0000 ( 6991 PWs) bands (ev): -10.2625 -10.2625 -10.1104 -10.1104 -9.8841 -9.8841 -9.7067 -9.7067 -3.7598 -3.7596 -3.7579 -3.7576 -3.6958 -3.6956 -3.6918 -3.6915 -3.1585 -3.1582 -3.1517 -3.1513 -2.9948 -2.9946 -2.9928 -2.9927 -2.9618 -2.9617 -2.9526 -2.9525 0.0918 0.0927 0.5561 0.5577 2.0211 2.0232 2.4241 2.4275 2.6183 2.6347 2.7473 2.7557 2.8123 2.8537 3.0582 3.0920 3.1434 3.1502 3.3389 3.3502 3.4046 3.4302 3.5634 3.5688 6.8824 6.8856 7.7264 7.7314 9.3649 9.3741 9.3944 9.3999 10.9517 10.9638 k = 0.1304 0.0753-0.0000 ( 6989 PWs) bands (ev): -10.2519 -10.2519 -10.1012 -10.1012 -9.8808 -9.8808 -9.7057 -9.7057 -3.7574 -3.7571 -3.7551 -3.7548 -3.6922 -3.6919 -3.6891 -3.6888 -3.1539 -3.1536 -3.1478 -3.1473 -2.9951 -2.9949 -2.9926 -2.9924 -2.9601 -2.9600 -2.9510 -2.9510 0.1000 0.1010 0.5364 0.5381 2.0194 2.0227 2.3663 2.3736 2.5642 2.5855 2.7139 2.7248 2.7658 2.8130 3.0243 3.0629 3.0975 3.1070 3.3301 3.3388 3.3963 3.4199 3.5648 3.5697 6.9644 6.9679 7.7404 7.7458 9.4367 9.4496 9.4763 9.4848 10.8787 10.8923 k = 0.1413 0.0816-0.0000 ( 6989 PWs) bands (ev): -10.2405 -10.2405 -10.0913 -10.0913 -9.8773 -9.8773 -9.7047 -9.7047 -3.7549 -3.7546 -3.7523 -3.7520 -3.6882 -3.6879 -3.6861 -3.6857 -3.1493 -3.1490 -3.1436 -3.1433 -2.9953 -2.9950 -2.9922 -2.9920 -2.9582 -2.9582 -2.9494 -2.9493 0.1086 0.1097 0.5151 0.5172 2.0095 2.0146 2.3109 2.3240 2.5030 2.5305 2.6843 2.6939 2.7224 2.7711 2.9884 3.0300 3.0514 3.0630 3.3218 3.3266 3.3904 3.4099 3.5666 3.5708 7.0468 7.0506 7.7524 7.7580 9.5039 9.5203 9.5595 9.5706 10.8156 10.8305 k = 0.1522 0.0879-0.0000 ( 6995 PWs) bands (ev): -10.2283 -10.2283 -10.0808 -10.0808 -9.8735 -9.8735 -9.7036 -9.7036 -3.7525 -3.7521 -3.7496 -3.7491 -3.6838 -3.6835 -3.6828 -3.6824 -3.1446 -3.1444 -3.1393 -3.1390 -2.9952 -2.9950 -2.9914 -2.9913 -2.9562 -2.9562 -2.9476 -2.9476 0.1174 0.1188 0.4925 0.4949 1.9872 1.9946 2.2620 2.2831 2.4371 2.4728 2.6548 2.6572 2.6889 2.7270 2.9510 2.9876 3.0126 3.0196 3.3139 3.3140 3.3861 3.4004 3.5687 3.5720 7.1284 7.1324 7.7619 7.7676 9.5629 9.5822 9.6424 9.6557 10.7669 10.7827 k = 0.1630 0.0941-0.0000 ( 6985 PWs) bands (ev): -10.2155 -10.2155 -10.0697 -10.0697 -9.8695 -9.8695 -9.7025 -9.7025 -3.7501 -3.7496 -3.7469 -3.7464 -3.6793 -3.6790 -3.6786 -3.6785 -3.1399 -3.1399 -3.1348 -3.1347 -2.9949 -2.9947 -2.9904 -2.9902 -2.9540 -2.9540 -2.9456 -2.9456 0.1263 0.1280 0.4686 0.4714 1.9498 1.9591 2.2216 2.2532 2.3690 2.4157 2.6076 2.6319 2.6642 2.6803 2.9124 2.9380 2.9783 2.9800 3.3014 3.3063 3.3828 3.3912 3.5707 3.5730 7.2081 7.2122 7.7687 7.7744 9.6094 9.6305 9.7234 9.7384 10.7373 10.7534 k = 0.1739 0.1004-0.0000 ( 6967 PWs) bands (ev): -10.2021 -10.2020 -10.0581 -10.0581 -9.8654 -9.8654 -9.7014 -9.7014 -3.7476 -3.7471 -3.7442 -3.7436 -3.6751 -3.6746 -3.6737 -3.6733 -3.1355 -3.1354 -3.1303 -3.1302 -2.9942 -2.9939 -2.9889 -2.9887 -2.9517 -2.9517 -2.9435 -2.9434 0.1352 0.1373 0.4436 0.4468 1.8984 1.9084 2.1859 2.2292 2.3039 2.3637 2.5577 2.6081 2.6309 2.6431 2.8732 2.8870 2.9395 2.9491 3.2889 3.2988 3.3800 3.3824 3.5726 3.5737 7.2845 7.2885 7.7729 7.7782 9.6395 9.6613 9.8008 9.8168 10.7310 10.7465 k = 0.1848 0.1067-0.0000 ( 6965 PWs) bands (ev): -10.1880 -10.1880 -10.0461 -10.0461 -9.8611 -9.8611 -9.7003 -9.7003 -3.7454 -3.7448 -3.7418 -3.7411 -3.6708 -3.6702 -3.6682 -3.6677 -3.1314 -3.1312 -3.1259 -3.1258 -2.9932 -2.9928 -2.9871 -2.9868 -2.9493 -2.9493 -2.9413 -2.9412 0.1439 0.1465 0.4176 0.4214 1.8368 1.8464 2.1459 2.1889 2.2608 2.3220 2.5073 2.5782 2.5871 2.6242 2.8341 2.8365 2.9035 2.9187 3.2767 3.2914 3.3739 3.3776 3.5742 3.5743 7.3561 7.3597 7.7747 7.7794 9.6515 9.6725 9.8728 9.8891 10.7500 10.7638 k = 0.1957 0.1130-0.0000 ( 6959 PWs) bands (ev): -10.1734 -10.1734 -10.0336 -10.0336 -9.8567 -9.8567 -9.6992 -9.6992 -3.7432 -3.7426 -3.7394 -3.7388 -3.6661 -3.6654 -3.6623 -3.6617 -3.1276 -3.1273 -3.1217 -3.1215 -2.9916 -2.9912 -2.9846 -2.9842 -2.9468 -2.9468 -2.9391 -2.9389 0.1520 0.1552 0.3909 0.3955 1.7690 1.7776 2.0953 2.1226 2.2455 2.2917 2.4586 2.5252 2.5671 2.6072 2.7873 2.7955 2.8700 2.8888 3.2647 3.2842 3.3656 3.3752 3.5744 3.5757 7.4212 7.4239 7.7750 7.7784 9.6463 9.6654 9.9378 9.9536 10.7929 10.8042 k = 0.2065 0.1192-0.0000 ( 6955 PWs) bands (ev): -10.1583 -10.1583 -10.0208 -10.0208 -9.8521 -9.8521 -9.6982 -9.6981 -3.7411 -3.7405 -3.7372 -3.7366 -3.6612 -3.6603 -3.6561 -3.6554 -3.1241 -3.1237 -3.1178 -3.1175 -2.9895 -2.9889 -2.9815 -2.9811 -2.9443 -2.9442 -2.9368 -2.9365 0.1592 0.1632 0.3638 0.3694 1.6979 1.7053 2.0346 2.0477 2.2371 2.2665 2.4149 2.4716 2.5505 2.5924 2.7402 2.7578 2.8389 2.8593 3.2532 3.2770 3.3576 3.3730 3.5742 3.5767 7.4776 7.4787 7.7752 7.7764 9.6272 9.6439 9.9942 10.0090 10.8554 10.8640 k = 0.2174 0.1255-0.0000 ( 6967 PWs) bands (ev): -10.1427 -10.1427 -10.0077 -10.0077 -9.8474 -9.8474 -9.6971 -9.6971 -3.7392 -3.7386 -3.7353 -3.7346 -3.6560 -3.6550 -3.6497 -3.6489 -3.1210 -3.1205 -3.1143 -3.1139 -2.9867 -2.9861 -2.9778 -2.9773 -2.9417 -2.9416 -2.9344 -2.9342 0.1650 0.1701 0.3368 0.3435 1.6255 1.6314 1.9677 1.9704 2.2262 2.2367 2.3805 2.4199 2.5375 2.5798 2.6960 2.7212 2.8102 2.8302 3.2419 3.2699 3.3497 3.3706 3.5738 3.5774 7.5210 7.5226 7.7753 7.7774 9.5988 9.6131 10.0411 10.0543 10.9321 10.9380 k = 0.2283 0.1318-0.0000 ( 6965 PWs) bands (ev): -10.1268 -10.1268 -9.9943 -9.9943 -9.8427 -9.8427 -9.6962 -9.6962 -3.7374 -3.7368 -3.7334 -3.7328 -3.6504 -3.6494 -3.6430 -3.6422 -3.1183 -3.1178 -3.1112 -3.1107 -2.9832 -2.9826 -2.9733 -2.9728 -2.9390 -2.9388 -2.9320 -2.9317 0.1685 0.1751 0.3104 0.3187 1.5531 1.5573 1.8922 1.8974 2.1975 2.2082 2.3569 2.3726 2.5285 2.5683 2.6564 2.6857 2.7839 2.8016 3.2311 3.2631 3.3419 3.3683 3.5730 3.5777 7.5480 7.5533 7.7772 7.7836 9.5657 9.5776 10.0780 10.0892 11.0175 11.0213 k = 0.2391 0.1381-0.0000 ( 6969 PWs) bands (ev): -10.1105 -10.1105 -9.9807 -9.9807 -9.8379 -9.8379 -9.6953 -9.6953 -3.7358 -3.7352 -3.7318 -3.7311 -3.6446 -3.6435 -3.6362 -3.6353 -3.1160 -3.1155 -3.1086 -3.1081 -2.9790 -2.9783 -2.9682 -2.9676 -2.9363 -2.9361 -2.9295 -2.9291 0.1687 0.1771 0.2857 0.2959 1.4816 1.4840 1.8140 1.8256 2.1502 2.1802 2.3321 2.3404 2.5233 2.5540 2.6261 2.6513 2.7604 2.7736 3.2206 3.2564 3.3343 3.3658 3.5719 3.5777 7.5589 7.5679 7.7833 7.7941 9.5313 9.5412 10.1050 10.1142 11.1065 11.1088 k = 0.2500 0.1443-0.0000 ( 6981 PWs) bands (ev): -10.0940 -10.0940 -9.9670 -9.9670 -9.8331 -9.8331 -9.6945 -9.6944 -3.7344 -3.7337 -3.7303 -3.7297 -3.6387 -3.6375 -3.6293 -3.6283 -3.1142 -3.1137 -3.1065 -3.1060 -2.9742 -2.9734 -2.9623 -2.9616 -2.9336 -2.9333 -2.9271 -2.9266 0.1641 0.1742 0.2647 0.2766 1.4116 1.4119 1.7363 1.7535 2.0989 2.1424 2.2986 2.3264 2.5206 2.5305 2.6114 2.6182 2.7401 2.7460 3.2106 3.2499 3.3268 3.3632 3.5705 3.5773 7.5557 7.5676 7.7921 7.8065 9.4985 9.5066 10.1227 10.1299 11.1945 11.1962 k = 0.2609 0.1506-0.0000 ( 6977 PWs) bands (ev): -10.0772 -10.0772 -9.9532 -9.9532 -9.8283 -9.8282 -9.6937 -9.6937 -3.7330 -3.7324 -3.7290 -3.7284 -3.6326 -3.6312 -3.6223 -3.6212 -3.1128 -3.1123 -3.1049 -3.1044 -2.9685 -2.9676 -2.9558 -2.9549 -2.9307 -2.9304 -2.9246 -2.9241 0.1536 0.1642 0.2494 0.2618 1.3418 1.3438 1.6595 1.6816 2.0464 2.0980 2.2700 2.3124 2.4988 2.5185 2.5871 2.6111 2.7190 2.7239 3.2010 3.2437 3.3194 3.3605 3.5688 3.5766 7.5422 7.5559 7.8002 7.8170 9.4691 9.4759 10.1321 10.1376 11.2770 11.2794 k = 0.2717 0.1569-0.0000 ( 6975 PWs) bands (ev): -10.0604 -10.0603 -9.9395 -9.9395 -9.8234 -9.8234 -9.6931 -9.6931 -3.7318 -3.7312 -3.7278 -3.7272 -3.6263 -3.6248 -3.6154 -3.6141 -3.1117 -3.1113 -3.1036 -3.1032 -2.9623 -2.9613 -2.9487 -2.9477 -2.9279 -2.9276 -2.9221 -2.9215 0.1374 0.1470 0.2397 0.2512 1.2738 1.2785 1.5839 1.6106 1.9946 2.0507 2.2438 2.2973 2.4641 2.5132 2.5594 2.6191 2.6926 2.7127 3.1918 3.2378 3.3120 3.3576 3.5669 3.5755 7.5216 7.5363 7.8043 7.8228 9.4443 9.4500 10.1342 10.1382 11.3500 11.3545 k = 0.2826 0.1632-0.0000 ( 6979 PWs) bands (ev): -10.0434 -10.0434 -9.9257 -9.9257 -9.8187 -9.8186 -9.6926 -9.6926 -3.7307 -3.7302 -3.7268 -3.7263 -3.6200 -3.6184 -3.6085 -3.6071 -3.1110 -3.1107 -3.1028 -3.1025 -2.9555 -2.9543 -2.9412 -2.9400 -2.9250 -2.9247 -2.9196 -2.9190 0.1169 0.1250 0.2334 0.2431 1.2084 1.2160 1.5098 1.5410 1.9447 2.0033 2.2186 2.2808 2.4291 2.4994 2.5387 2.6319 2.6669 2.7075 3.1832 3.2322 3.3047 3.3546 3.5647 3.5741 7.4962 7.5115 7.8026 7.8221 9.4245 9.4295 10.1302 10.1331 11.4104 11.4184 k = 0.2935 0.1694-0.0000 ( 6973 PWs) bands (ev): -10.0265 -10.0265 -9.9121 -9.9121 -9.8139 -9.8139 -9.6923 -9.6923 -3.7298 -3.7293 -3.7259 -3.7254 -3.6136 -3.6119 -3.6017 -3.6001 -3.1105 -3.1103 -3.1023 -3.1021 -2.9482 -2.9469 -2.9334 -2.9319 -2.9218 -2.9217 -2.9170 -2.9164 0.0941 0.1007 0.2277 0.2357 1.1458 1.1567 1.4375 1.4730 1.8976 1.9574 2.1938 2.2632 2.3948 2.4767 2.5243 2.6389 2.6506 2.7084 3.1750 3.2271 3.2974 3.3515 3.5624 3.5725 7.4676 7.4834 7.7944 7.8146 9.4096 9.4142 10.1211 10.1234 11.4569 11.4691 k = 0.3043 0.1757-0.0000 ( 6973 PWs) bands (ev): -10.0096 -10.0096 -9.8987 -9.8987 -9.8093 -9.8093 -9.6921 -9.6921 -3.7290 -3.7285 -3.7251 -3.7247 -3.6072 -3.6054 -3.5950 -3.5934 -3.1104 -3.1103 -3.1021 -3.1020 -2.9407 -2.9393 -2.9260 -2.9239 -2.9184 -2.9180 -2.9144 -2.9138 0.0703 0.0755 0.2213 0.2276 1.0861 1.1008 1.3674 1.4069 1.8540 1.9144 2.1692 2.2448 2.3616 2.4502 2.5109 2.6154 2.6672 2.7150 3.1675 3.2225 3.2902 3.3482 3.5600 3.5706 7.4370 7.4530 7.7797 7.8004 9.3993 9.4036 10.1082 10.1100 11.4901 11.5064 k = 0.3152 0.1820-0.0000 ( 6967 PWs) bands (ev): -9.9928 -9.9928 -9.8855 -9.8855 -9.8049 -9.8048 -9.6921 -9.6921 -3.7283 -3.7278 -3.7245 -3.7241 -3.6009 -3.5990 -3.5886 -3.5868 -3.1104 -3.1104 -3.1022 -3.1021 -2.9330 -2.9315 -2.9200 -2.9177 -2.9140 -2.9132 -2.9107 -2.9104 0.0464 0.0504 0.2131 0.2179 1.0294 1.0481 1.2997 1.3430 1.8146 1.8749 2.1449 2.2260 2.3296 2.4232 2.4959 2.5909 2.6866 2.7258 3.1606 3.2184 3.2830 3.3448 3.5574 3.5685 7.4051 7.4213 7.7595 7.7803 9.3927 9.3971 10.0922 10.0937 11.5120 11.5318 k = 0.3261 0.1883-0.0000 ( 6951 PWs) bands (ev): -9.9763 -9.9763 -9.8726 -9.8726 -9.8005 -9.8005 -9.6923 -9.6923 -3.7276 -3.7272 -3.7240 -3.7236 -3.5947 -3.5927 -3.5823 -3.5804 -3.1106 -3.1105 -3.1024 -3.1023 -2.9257 -2.9242 -2.9151 -2.9136 -2.9101 -2.9097 -2.9037 -2.9034 0.0230 0.0260 0.2028 0.2060 0.9759 0.9989 1.2346 1.2815 1.7797 1.8397 2.1210 2.2069 2.2989 2.3966 2.4794 2.5666 2.7067 2.7396 3.1543 3.2148 3.2759 3.3412 3.5548 3.5662 7.3727 7.3890 7.7345 7.7554 9.3891 9.3937 10.0740 10.0755 11.5250 11.5474 k = 0.3370 0.1945-0.0000 ( 6953 PWs) bands (ev): -9.9600 -9.9600 -9.8600 -9.8600 -9.7964 -9.7964 -9.6927 -9.6927 -3.7272 -3.7268 -3.7236 -3.7233 -3.5887 -3.5866 -3.5764 -3.5744 -3.1110 -3.1108 -3.1029 -3.1026 -2.9194 -2.9185 -2.9103 -2.9102 -2.9064 -2.9061 -2.8954 -2.8948 0.0004 0.0026 0.1901 0.1920 0.9255 0.9529 1.1725 1.2227 1.7498 1.8091 2.0977 2.1879 2.2695 2.3707 2.4617 2.5426 2.7270 2.7552 3.1488 3.2119 3.2689 3.3375 3.5521 3.5638 7.3402 7.3565 7.7060 7.7267 9.3876 9.3926 10.0543 10.0559 11.5317 11.5557 k = 0.3478 0.2008-0.0000 ( 6954 PWs) bands (ev): -9.9441 -9.9441 -9.8479 -9.8479 -9.7925 -9.7924 -9.6933 -9.6933 -3.7268 -3.7265 -3.7233 -3.7230 -3.5829 -3.5807 -3.5708 -3.5687 -3.1115 -3.1111 -3.1033 -3.1029 -2.9148 -2.9147 -2.9077 -2.9066 -2.9004 -2.9002 -2.8868 -2.8859 -0.0210 -0.0195 0.1753 0.1757 0.8783 0.9100 1.1136 1.1666 1.7250 1.7834 2.0750 2.1692 2.2416 2.3459 2.4431 2.5189 2.7472 2.7717 3.1440 3.2097 3.2619 3.3337 3.5495 3.5612 7.3081 7.3243 7.6751 7.6954 9.3876 9.3929 10.0337 10.0355 11.5342 11.5590 k = 0.3587 0.2071-0.0000 ( 6950 PWs) bands (ev): -9.9286 -9.9285 -9.8362 -9.8362 -9.7888 -9.7888 -9.6941 -9.6941 -3.7265 -3.7262 -3.7230 -3.7229 -3.5774 -3.5751 -3.5655 -3.5634 -3.1120 -3.1114 -3.1039 -3.1033 -2.9119 -2.9115 -2.9055 -2.9043 -2.8928 -2.8924 -2.8781 -2.8771 -0.0410 -0.0402 0.1574 0.1583 0.8342 0.8700 1.0582 1.1133 1.7054 1.7626 2.0531 2.1511 2.2150 2.3220 2.4241 2.4955 2.7669 2.7884 3.1401 3.2081 3.2551 3.3297 3.5469 3.5586 7.2768 7.2927 7.6427 7.6626 9.3883 9.3940 10.0129 10.0148 11.5343 11.5590 k = 0.3696 0.2134-0.0000 ( 6934 PWs) bands (ev): -9.9135 -9.9135 -9.8250 -9.8250 -9.7854 -9.7854 -9.6952 -9.6952 -3.7262 -3.7260 -3.7229 -3.7227 -3.5721 -3.5697 -3.5606 -3.5583 -3.1124 -3.1118 -3.1043 -3.1038 -2.9095 -2.9088 -2.9036 -2.9023 -2.8847 -2.8840 -2.8696 -2.8684 -0.0593 -0.0592 0.1374 0.1396 0.7932 0.8325 1.0066 1.0632 1.6909 1.7469 2.0321 2.1337 2.1899 2.2992 2.4049 2.4724 2.7858 2.8048 3.1370 3.2073 3.2484 3.3255 3.5445 3.5560 7.2466 7.2622 7.6099 7.6291 9.3894 9.3954 9.9922 9.9943 11.5332 11.5571 k = 0.3804 0.2196-0.0000 ( 6934 PWs) bands (ev): -9.8990 -9.8989 -9.8143 -9.8143 -9.7824 -9.7824 -9.6965 -9.6965 -3.7260 -3.7259 -3.7228 -3.7227 -3.5671 -3.5647 -3.5561 -3.5538 -3.1128 -3.1121 -3.1048 -3.1042 -2.9075 -2.9066 -2.9019 -2.9005 -2.8766 -2.8756 -2.8615 -2.8602 -0.0764 -0.0760 0.1162 0.1196 0.7554 0.7973 0.9590 1.0161 1.6812 1.7358 2.0123 2.1169 2.1664 2.2775 2.3857 2.4497 2.8038 2.8205 3.1348 3.2072 3.2420 3.3212 3.5422 3.5534 7.2179 7.2330 7.5775 7.5959 9.3905 9.3966 9.9721 9.9743 11.5320 11.5541 k = 0.3913 0.2259-0.0000 ( 6934 PWs) bands (ev): -9.8850 -9.8850 -9.8042 -9.8042 -9.7798 -9.7797 -9.6981 -9.6981 -3.7259 -3.7258 -3.7228 -3.7227 -3.5625 -3.5600 -3.5520 -3.5497 -3.1131 -3.1125 -3.1053 -3.1046 -2.9056 -2.9046 -2.9003 -2.8989 -2.8686 -2.8674 -2.8538 -2.8524 -0.0918 -0.0907 0.0943 0.0987 0.7207 0.7642 0.9157 0.9723 1.6759 1.7293 1.9936 2.1008 2.1447 2.2569 2.3669 2.4275 2.8205 2.8352 3.1336 3.2077 3.2360 3.3168 3.5401 3.5508 7.1908 7.2053 7.5461 7.5636 9.3914 9.3976 9.9528 9.9552 11.5315 11.5505 k = 0.4022 0.2322-0.0000 ( 6934 PWs) bands (ev): -9.8718 -9.8718 -9.7947 -9.7946 -9.7776 -9.7775 -9.7000 -9.6999 -3.7259 -3.7258 -3.7228 -3.7227 -3.5582 -3.5558 -3.5483 -3.5460 -3.1134 -3.1127 -3.1058 -3.1051 -2.9039 -2.9029 -2.8988 -2.8975 -2.8609 -2.8595 -2.8466 -2.8450 -0.1051 -0.1036 0.0721 0.0773 0.6892 0.7332 0.8770 0.9318 1.6747 1.7267 1.9763 2.0851 2.1252 2.2372 2.3488 2.4058 2.8359 2.8488 3.1333 3.2083 3.2308 3.3121 3.5382 3.5483 7.1657 7.1794 7.5165 7.5329 9.3920 9.3981 9.9348 9.9372 11.5319 11.5462 k = 0.4130 0.2385-0.0000 ( 6932 PWs) bands (ev): -9.8592 -9.8592 -9.7858 -9.7857 -9.7758 -9.7757 -9.7021 -9.7021 -3.7258 -3.7258 -3.7228 -3.7228 -3.5543 -3.5519 -3.5451 -3.5428 -3.1137 -3.1129 -3.1062 -3.1054 -2.9024 -2.9014 -2.8975 -2.8963 -2.8536 -2.8521 -2.8400 -2.8384 -0.1165 -0.1145 0.0502 0.0560 0.6611 0.7041 0.8428 0.8948 1.6770 1.7275 1.9606 2.0691 2.1087 2.2183 2.3318 2.3850 2.8499 2.8609 3.1340 3.2082 3.2272 3.3073 3.5366 3.5459 7.1428 7.1555 7.4891 7.5042 9.3923 9.3982 9.9182 9.9205 11.5328 11.5399 k = 0.4239 0.2447-0.0000 ( 6926 PWs) bands (ev): -9.8475 -9.8474 -9.7777 -9.7774 -9.7746 -9.7742 -9.7045 -9.7045 -3.7258 -3.7258 -3.7229 -3.7229 -3.5508 -3.5484 -3.5423 -3.5399 -3.1138 -3.1131 -3.1065 -3.1058 -2.9011 -2.9001 -2.8963 -2.8951 -2.8467 -2.8452 -2.8341 -2.8324 -0.1258 -0.1234 0.0291 0.0353 0.6365 0.6771 0.8134 0.8613 1.6822 1.7309 1.9467 2.0525 2.0957 2.2003 2.3161 2.3651 2.8622 2.8716 3.1356 3.2060 3.2265 3.3023 3.5352 3.5436 7.1222 7.1338 7.4642 7.4779 9.3923 9.3979 9.9032 9.9054 11.5293 11.5316 k = 0.4348 0.2510-0.0000 ( 6928 PWs) bands (ev): -9.8365 -9.8365 -9.7742 -9.7739 -9.7697 -9.7694 -9.7071 -9.7071 -3.7258 -3.7258 -3.7230 -3.7230 -3.5477 -3.5454 -3.5399 -3.5376 -3.1139 -3.1132 -3.1068 -3.1061 -2.8999 -2.8990 -2.8952 -2.8942 -2.8405 -2.8389 -2.8289 -2.8271 -0.1330 -0.1303 0.0092 0.0155 0.6153 0.6524 0.7887 0.8315 1.6897 1.7362 1.9349 2.0350 2.0864 2.1828 2.3024 2.3464 2.8729 2.8807 3.1381 3.2019 3.2286 3.2971 3.5340 3.5415 7.1041 7.1145 7.4423 7.4544 9.3921 9.3972 9.8899 9.8920 11.5203 11.5229 k = 0.4457 0.2573-0.0000 ( 6938 PWs) bands (ev): -9.8265 -9.8265 -9.7740 -9.7739 -9.7626 -9.7625 -9.7100 -9.7100 -3.7259 -3.7259 -3.7232 -3.7231 -3.5450 -3.5429 -3.5378 -3.5358 -3.1139 -3.1133 -3.1071 -3.1064 -2.8990 -2.8982 -2.8943 -2.8934 -2.8350 -2.8333 -2.8245 -2.8228 -0.1383 -0.1354 -0.0089 -0.0028 0.5978 0.6303 0.7686 0.8055 1.6988 1.7422 1.9257 2.0171 2.0807 2.1661 2.2908 2.3292 2.8820 2.8883 3.1414 3.1965 3.2325 3.2916 3.5332 3.5396 7.0887 7.0976 7.4236 7.4339 9.3918 9.3962 9.8786 9.8804 11.5126 11.5153 k = 0.4565 0.2636-0.0000 ( 6938 PWs) bands (ev): -9.8175 -9.8175 -9.7746 -9.7745 -9.7562 -9.7561 -9.7131 -9.7131 -3.7260 -3.7260 -3.7233 -3.7232 -3.5428 -3.5408 -3.5361 -3.5342 -3.1139 -3.1134 -3.1073 -3.1067 -2.8981 -2.8975 -2.8936 -2.8928 -2.8302 -2.8286 -2.8209 -2.8192 -0.1418 -0.1388 -0.0248 -0.0191 0.5841 0.6110 0.7531 0.7833 1.7090 1.7477 1.9197 1.9992 2.0782 2.1499 2.2819 2.3139 2.8894 2.8943 3.1454 3.1907 3.2375 3.2860 3.5326 3.5378 7.0761 7.0834 7.4083 7.4167 9.3915 9.3952 9.8692 9.8708 11.5065 11.5091 k = 0.4674 0.2698-0.0000 ( 6932 PWs) bands (ev): -9.8096 -9.8096 -9.7758 -9.7757 -9.7504 -9.7504 -9.7163 -9.7163 -3.7260 -3.7260 -3.7233 -3.7233 -3.5409 -3.5393 -3.5347 -3.5332 -3.1139 -3.1135 -3.1074 -3.1070 -2.8974 -2.8969 -2.8929 -2.8923 -2.8262 -2.8247 -2.8180 -2.8165 -0.1436 -0.1409 -0.0379 -0.0331 0.5741 0.5949 0.7420 0.7651 1.7195 1.7516 1.9176 1.9817 2.0787 2.1347 2.2758 2.3005 2.8953 2.8989 3.1501 3.1847 3.2431 3.2801 3.5323 3.5363 7.0664 7.0720 7.3965 7.4029 9.3912 9.3941 9.8619 9.8632 11.5021 11.5044 k = 0.4783 0.2761-0.0000 ( 6922 PWs) bands (ev): -9.8030 -9.8030 -9.7775 -9.7775 -9.7455 -9.7455 -9.7195 -9.7195 -3.7260 -3.7260 -3.7234 -3.7234 -3.5394 -3.5383 -3.5336 -3.5325 -3.1138 -3.1135 -3.1074 -3.1071 -2.8969 -2.8966 -2.8924 -2.8920 -2.8231 -2.8220 -2.8159 -2.8148 -0.1442 -0.1421 -0.0476 -0.0440 0.5680 0.5821 0.7353 0.7508 1.7296 1.7529 1.9198 1.9650 2.0822 2.1205 2.2726 2.2895 2.8996 2.9019 3.1552 3.1786 3.2491 3.2741 3.5323 3.5350 7.0597 7.0635 7.3883 7.3926 9.3911 9.3931 9.8568 9.8576 11.4992 11.5009 k = 0.4891 0.2824-0.0000 ( 6926 PWs) bands (ev): -9.7982 -9.7982 -9.7794 -9.7794 -9.7419 -9.7418 -9.7221 -9.7221 -3.7260 -3.7260 -3.7234 -3.7234 -3.5385 -3.5379 -3.5328 -3.5322 -3.1137 -3.1135 -3.1074 -3.1073 -2.8966 -2.8964 -2.8920 -2.8918 -2.8211 -2.8205 -2.8146 -2.8139 -0.1440 -0.1428 -0.0533 -0.0514 0.5658 0.5729 0.7328 0.7407 1.7387 1.7510 1.9263 1.9497 2.0884 2.1079 2.2725 2.2811 2.9023 2.9035 3.1608 3.1725 3.2553 3.2679 3.5326 3.5340 7.0561 7.0580 7.3838 7.3860 9.3913 9.3922 9.8537 9.8542 11.4977 11.4986 k = 0.5000 0.2887-0.0000 ( 6926 PWs) bands (ev): -9.7963 -9.7963 -9.7803 -9.7803 -9.7404 -9.7404 -9.7232 -9.7232 -3.7260 -3.7260 -3.7234 -3.7234 -3.5380 -3.5380 -3.5323 -3.5323 -3.1136 -3.1136 -3.1074 -3.1074 -2.8964 -2.8964 -2.8919 -2.8919 -2.8202 -2.8202 -2.8139 -2.8139 -0.1434 -0.1434 -0.0546 -0.0546 0.5675 0.5675 0.7347 0.7347 1.7461 1.7461 1.9365 1.9365 2.0970 2.0970 2.2753 2.2753 2.9036 2.9036 3.1666 3.1666 3.2616 3.2616 3.5331 3.5331 7.0555 7.0555 7.3830 7.3830 9.3916 9.3916 9.8529 9.8529 11.4975 11.4975 k = 0.5000 0.2887-0.0000 ( 6926 PWs) bands (ev): -9.7963 -9.7963 -9.7803 -9.7803 -9.7404 -9.7404 -9.7232 -9.7232 -3.7260 -3.7260 -3.7234 -3.7234 -3.5380 -3.5380 -3.5323 -3.5323 -3.1136 -3.1136 -3.1074 -3.1074 -2.8964 -2.8964 -2.8919 -2.8919 -2.8202 -2.8202 -2.8139 -2.8139 -0.1434 -0.1434 -0.0546 -0.0546 0.5675 0.5675 0.7347 0.7347 1.7461 1.7461 1.9365 1.9365 2.0970 2.0970 2.2753 2.2753 2.9036 2.9036 3.1666 3.1666 3.2616 3.2616 3.5331 3.5331 7.0555 7.0555 7.3830 7.3830 9.3916 9.3916 9.8529 9.8529 11.4975 11.4975 k = 0.4938 0.2994-0.0000 ( 6934 PWs) bands (ev): -9.7961 -9.7961 -9.7802 -9.7802 -9.7403 -9.7403 -9.7232 -9.7232 -3.7259 -3.7257 -3.7233 -3.7231 -3.5381 -3.5380 -3.5325 -3.5324 -3.1135 -3.1132 -3.1073 -3.1070 -2.8965 -2.8965 -2.8920 -2.8919 -2.8204 -2.8204 -2.8141 -2.8141 -0.1435 -0.1424 -0.0552 -0.0535 0.5673 0.5696 0.7346 0.7365 1.7461 1.7463 1.9306 1.9394 2.0948 2.0957 2.2586 2.2842 2.8848 2.9250 3.1607 3.1680 3.2612 3.2619 3.5236 3.5375 7.0587 7.0589 7.3853 7.3859 9.3945 9.3983 9.8556 9.8589 11.4985 11.4994 k = 0.4877 0.3101-0.0000 ( 6934 PWs) bands (ev): -9.7955 -9.7955 -9.7799 -9.7799 -9.7400 -9.7400 -9.7231 -9.7231 -3.7253 -3.7249 -3.7227 -3.7224 -3.5383 -3.5382 -3.5328 -3.5327 -3.1128 -3.1122 -3.1066 -3.1060 -2.8968 -2.8966 -2.8922 -2.8921 -2.8210 -2.8209 -2.8148 -2.8147 -0.1426 -0.1404 -0.0553 -0.0518 0.5690 0.5735 0.7364 0.7403 1.7462 1.7468 1.9215 1.9391 2.0891 2.0909 2.2348 2.2849 2.8689 2.9483 3.1512 3.1641 3.2598 3.2629 3.5089 3.5368 7.0685 7.0688 7.3927 7.3937 9.4068 9.4143 9.8671 9.8738 11.5023 11.5031 k = 0.4815 0.3208-0.0000 ( 6940 PWs) bands (ev): -9.7946 -9.7946 -9.7794 -9.7794 -9.7395 -9.7394 -9.7230 -9.7230 -3.7242 -3.7237 -3.7217 -3.7212 -3.5388 -3.5386 -3.5334 -3.5332 -3.1115 -3.1106 -3.1054 -3.1046 -2.8972 -2.8970 -2.8926 -2.8925 -2.8219 -2.8218 -2.8159 -2.8157 -0.1409 -0.1376 -0.0548 -0.0497 0.5725 0.5794 0.7399 0.7458 1.7463 1.7475 1.9091 1.9359 2.0800 2.0828 2.2047 2.2775 2.8562 2.9728 3.1388 3.1547 3.2568 3.2649 3.4894 3.5313 7.0846 7.0850 7.4050 7.4064 9.4282 9.4395 9.8870 9.8973 11.4955 11.5091 k = 0.4753 0.3314-0.0000 ( 6944 PWs) bands (ev): -9.7934 -9.7934 -9.7787 -9.7787 -9.7387 -9.7387 -9.7229 -9.7229 -3.7227 -3.7220 -3.7203 -3.7196 -3.5394 -3.5392 -3.5341 -3.5338 -3.1097 -3.1084 -3.1038 -3.1026 -2.8977 -2.8974 -2.8932 -2.8929 -2.8231 -2.8230 -2.8173 -2.8172 -0.1381 -0.1338 -0.0538 -0.0471 0.5780 0.5871 0.7453 0.7532 1.7459 1.7481 1.8933 1.9296 2.0678 2.0720 2.1693 2.2625 2.8466 2.9975 3.1242 3.1398 3.2514 3.2679 3.4656 3.5215 7.1067 7.1074 7.4218 7.4235 9.4585 9.4735 9.9150 9.9290 11.4660 11.5162 k = 0.4691 0.3421-0.0000 ( 6940 PWs) bands (ev): -9.7918 -9.7918 -9.7778 -9.7778 -9.7378 -9.7378 -9.7227 -9.7227 -3.7207 -3.7198 -3.7184 -3.7176 -3.5401 -3.5399 -3.5350 -3.5347 -3.1072 -3.1057 -3.1015 -3.1001 -2.8983 -2.8979 -2.8938 -2.8935 -2.8247 -2.8245 -2.8192 -2.8190 -0.1345 -0.1291 -0.0523 -0.0440 0.5852 0.5967 0.7523 0.7623 1.7447 1.7484 1.8739 1.9204 2.0528 2.0589 2.1297 2.2408 2.8397 3.0219 3.1082 3.1196 3.2430 3.2717 3.4385 3.5080 7.1344 7.1354 7.4428 7.4447 9.4969 9.5156 9.9504 9.9683 11.4339 11.5218 k = 0.4630 0.3528-0.0000 ( 6942 PWs) bands (ev): -9.7898 -9.7898 -9.7767 -9.7767 -9.7368 -9.7367 -9.7225 -9.7225 -3.7182 -3.7172 -3.7161 -3.7152 -3.5410 -3.5408 -3.5361 -3.5358 -3.1042 -3.1024 -3.0988 -3.0971 -2.8991 -2.8986 -2.8946 -2.8942 -2.8266 -2.8264 -2.8215 -2.8212 -0.1300 -0.1235 -0.0503 -0.0405 0.5943 0.6080 0.7610 0.7732 1.7420 1.7478 1.8509 1.9080 2.0353 2.0445 2.0872 2.2134 2.8349 3.0445 3.0920 3.0945 3.2309 3.2762 3.4092 3.4914 7.1673 7.1685 7.4675 7.4693 9.5430 9.5652 9.9924 10.0147 11.4033 11.5212 k = 0.4568 0.3635-0.0000 ( 6942 PWs) bands (ev): -9.7876 -9.7876 -9.7754 -9.7754 -9.7355 -9.7355 -9.7223 -9.7223 -3.7154 -3.7142 -3.7135 -3.7123 -3.5421 -3.5419 -3.5374 -3.5370 -3.1007 -3.0986 -3.0956 -3.0937 -2.9000 -2.8994 -2.8954 -2.8950 -2.8289 -2.8286 -2.8241 -2.8239 -0.1247 -0.1171 -0.0478 -0.0366 0.6053 0.6212 0.7713 0.7857 1.7372 1.7459 1.8242 1.8923 2.0160 2.0298 2.0432 2.1814 2.8318 3.0579 3.0648 3.0824 3.2144 3.2812 3.3795 3.4723 7.2047 7.2062 7.4953 7.4968 9.5958 9.6215 10.0401 10.0671 11.3756 11.5120 k = 0.4506 0.3742-0.0000 ( 6950 PWs) bands (ev): -9.7851 -9.7850 -9.7740 -9.7739 -9.7342 -9.7341 -9.7221 -9.7221 -3.7122 -3.7108 -3.7105 -3.7091 -3.5434 -3.5432 -3.5390 -3.5386 -3.0967 -3.0943 -3.0920 -3.0897 -2.9010 -2.9003 -2.8965 -2.8959 -2.8315 -2.8311 -2.8271 -2.8268 -0.1185 -0.1100 -0.0450 -0.0325 0.6179 0.6361 0.7830 0.7998 1.7295 1.7417 1.7936 1.8721 1.9954 1.9997 2.0161 2.1458 2.8300 3.0308 3.0472 3.0937 3.1938 3.2864 3.3509 3.4512 7.2459 7.2479 7.5254 7.5265 9.6544 9.6833 10.0922 10.1243 11.3516 11.4985 k = 0.4444 0.3849-0.0000 ( 6956 PWs) bands (ev): -9.7823 -9.7822 -9.7723 -9.7723 -9.7327 -9.7327 -9.7219 -9.7219 -3.7086 -3.7071 -3.7070 -3.7055 -3.5449 -3.5447 -3.5407 -3.5403 -3.0922 -3.0895 -3.0879 -3.0854 -2.9021 -2.9013 -2.8976 -2.8969 -2.8343 -2.8339 -2.8305 -2.8301 -0.1116 -0.1020 -0.0418 -0.0281 0.6323 0.6528 0.7960 0.8153 1.7184 1.7346 1.7594 1.8458 1.9589 1.9748 2.0042 2.1074 2.8292 2.9930 3.0293 3.1041 3.1736 3.2920 3.3248 3.4286 7.2903 7.2927 7.5572 7.5577 9.7180 9.7498 10.1473 10.1851 11.3323 11.4834 k = 0.4383 0.3956-0.0000 ( 6954 PWs) bands (ev): -9.7792 -9.7792 -9.7705 -9.7705 -9.7311 -9.7311 -9.7216 -9.7216 -3.7046 -3.7033 -3.7028 -3.7015 -3.5465 -3.5463 -3.5426 -3.5422 -3.0872 -3.0842 -3.0834 -3.0806 -2.9033 -2.9024 -2.8987 -2.8980 -2.8375 -2.8370 -2.8341 -2.8336 -0.1039 -0.0934 -0.0383 -0.0235 0.6484 0.6711 0.8102 0.8321 1.7036 1.7217 1.7238 1.8117 1.9225 1.9560 1.9947 2.0671 2.8291 2.9523 3.0100 3.0952 3.1672 3.2977 3.3014 3.4049 7.3371 7.3401 7.5897 7.5900 9.7855 9.8196 10.2038 10.2476 11.3184 11.4654 k = 0.4321 0.4063-0.0000 ( 6958 PWs) bands (ev): -9.7760 -9.7759 -9.7686 -9.7685 -9.7295 -9.7295 -9.7213 -9.7213 -3.7003 -3.6991 -3.6984 -3.6972 -3.5484 -3.5482 -3.5448 -3.5444 -3.0817 -3.0785 -3.0785 -3.0755 -2.9045 -2.9035 -2.9000 -2.8992 -2.8410 -2.8404 -2.8380 -2.8374 -0.0955 -0.0841 -0.0345 -0.0187 0.6661 0.6910 0.8254 0.8501 1.6810 1.6854 1.7092 1.7700 1.8893 1.9408 1.9866 2.0264 2.8294 2.9096 2.9891 3.0665 3.1767 3.2804 3.3035 3.3804 7.3855 7.3891 7.6217 7.6231 9.8559 9.8917 10.2598 10.3099 11.3105 11.4251 k = 0.4259 0.4170-0.0000 ( 6950 PWs) bands (ev): -9.7725 -9.7725 -9.7665 -9.7664 -9.7279 -9.7279 -9.7211 -9.7211 -3.6958 -3.6946 -3.6937 -3.6925 -3.5504 -3.5502 -3.5471 -3.5467 -3.0759 -3.0732 -3.0724 -3.0700 -2.9058 -2.9047 -2.9013 -2.9004 -2.8447 -2.8440 -2.8420 -2.8414 -0.0865 -0.0743 -0.0306 -0.0140 0.6853 0.7124 0.8414 0.8691 1.6381 1.6641 1.6908 1.7237 1.8569 1.9299 1.9696 1.9954 2.8275 2.8683 2.9643 3.0335 3.1906 3.2613 3.3091 3.3554 7.4348 7.4392 7.6532 7.6557 9.9281 9.9648 10.3131 10.3694 11.3090 11.3833 k = 0.4198 0.4277-0.0000 ( 6958 PWs) bands (ev): -9.7690 -9.7690 -9.7642 -9.7641 -9.7263 -9.7263 -9.7208 -9.7208 -3.6911 -3.6898 -3.6889 -3.6875 -3.5526 -3.5525 -3.5497 -3.5493 -3.0698 -3.0676 -3.0661 -3.0642 -2.9072 -2.9060 -2.9026 -2.9017 -2.8487 -2.8479 -2.8463 -2.8456 -0.0771 -0.0641 -0.0265 -0.0092 0.7060 0.7353 0.8579 0.8888 1.5938 1.6407 1.6654 1.6793 1.8238 1.9223 1.9301 1.9874 2.8066 2.8464 2.9322 3.0059 3.2027 3.2453 3.3136 3.3309 7.4842 7.4894 7.6834 7.6873 10.0011 10.0376 10.3617 10.4236 11.3138 11.3417 k = 0.4136 0.4384-0.0000 ( 6970 PWs) bands (ev): -9.7654 -9.7654 -9.7617 -9.7617 -9.7248 -9.7248 -9.7206 -9.7205 -3.6862 -3.6848 -3.6838 -3.6822 -3.5550 -3.5550 -3.5525 -3.5521 -3.0635 -3.0617 -3.0596 -3.0581 -2.9086 -2.9073 -2.9040 -2.9030 -2.8530 -2.8521 -2.8506 -2.8498 -0.0672 -0.0535 -0.0223 -0.0045 0.7281 0.7595 0.8746 0.9088 1.5488 1.6161 1.6209 1.6517 1.7896 1.8855 1.9166 1.9841 2.7656 2.8462 2.8930 2.9862 3.2046 3.2394 3.3010 3.3227 7.5330 7.5390 7.7120 7.7174 10.0741 10.1091 10.4034 10.4696 11.2994 11.3268 k = 0.4074 0.4491-0.0000 ( 6978 PWs) bands (ev): -9.7618 -9.7618 -9.7591 -9.7590 -9.7234 -9.7234 -9.7203 -9.7202 -3.6811 -3.6795 -3.6786 -3.6767 -3.5577 -3.5577 -3.5554 -3.5551 -3.0569 -3.0557 -3.0528 -3.0519 -2.9100 -2.9087 -2.9054 -2.9043 -2.8575 -2.8566 -2.8549 -2.8541 -0.0571 -0.0427 -0.0181 0.0000 0.7514 0.7848 0.8910 0.9288 1.5043 1.5720 1.5909 1.6283 1.7549 1.8400 1.9111 1.9804 2.7232 2.8504 2.8507 2.9723 3.1918 3.2473 3.2751 3.3271 7.5804 7.5874 7.7384 7.7454 10.1462 10.1785 10.4370 10.5051 11.2612 11.3436 k = 0.4012 0.4597-0.0000 ( 6980 PWs) bands (ev): -9.7583 -9.7583 -9.7561 -9.7561 -9.7223 -9.7223 -9.7198 -9.7198 -3.6759 -3.6740 -3.6732 -3.6710 -3.5607 -3.5606 -3.5585 -3.5583 -3.0502 -3.0494 -3.0459 -3.0455 -2.9114 -2.9100 -2.9068 -2.9056 -2.8621 -2.8611 -2.8593 -2.8583 -0.0468 -0.0319 -0.0140 0.0043 0.7758 0.8113 0.9069 0.9483 1.4610 1.5239 1.5661 1.6055 1.7204 1.7948 1.9046 1.9746 2.6835 2.8088 2.8563 2.9621 3.1738 3.2481 3.2592 3.3319 7.6258 7.6337 7.7624 7.7710 10.2168 10.2451 10.4614 10.5287 11.2247 11.3633 k = 0.3951 0.4704-0.0000 ( 6968 PWs) bands (ev): -9.7552 -9.7552 -9.7528 -9.7527 -9.7216 -9.7216 -9.7192 -9.7192 -3.6705 -3.6683 -3.6676 -3.6651 -3.5637 -3.5636 -3.5618 -3.5616 -3.0435 -3.0429 -3.0392 -3.0387 -2.9128 -2.9113 -2.9081 -2.9068 -2.8668 -2.8656 -2.8637 -2.8626 -0.0365 -0.0213 -0.0099 0.0084 0.8012 0.8386 0.9218 0.9665 1.4201 1.4775 1.5421 1.5836 1.6871 1.7508 1.8958 1.9650 2.6484 2.7695 2.8632 2.9545 3.1544 3.2207 3.2714 3.3364 7.6684 7.6774 7.7838 7.7940 10.2854 10.3085 10.4770 10.5405 11.1899 11.3147 k = 0.3889 0.4811-0.0000 ( 6968 PWs) bands (ev): -9.7522 -9.7522 -9.7492 -9.7492 -9.7213 -9.7213 -9.7185 -9.7185 -3.6650 -3.6627 -3.6619 -3.6592 -3.5671 -3.5668 -3.5652 -3.5651 -3.0370 -3.0362 -3.0328 -3.0319 -2.9141 -2.9127 -2.9093 -2.9080 -2.8715 -2.8702 -2.8681 -2.8668 -0.0265 -0.0110 -0.0060 0.0122 0.8274 0.8666 0.9352 0.9825 1.3822 1.4332 1.5197 1.5632 1.6562 1.7091 1.8839 1.9505 2.6193 2.7342 2.8710 2.9487 3.1346 3.1931 3.2831 3.3404 7.7078 7.7178 7.8024 7.8143 10.3514 10.3685 10.4849 10.5417 11.1556 11.2656 k = 0.3827 0.4918-0.0000 ( 6968 PWs) bands (ev): -9.7493 -9.7493 -9.7456 -9.7456 -9.7212 -9.7212 -9.7179 -9.7178 -3.6596 -3.6570 -3.6562 -3.6533 -3.5706 -3.5702 -3.5687 -3.5687 -3.0307 -3.0295 -3.0265 -3.0252 -2.9154 -2.9140 -2.9104 -2.9092 -2.8760 -2.8747 -2.8724 -2.8710 -0.0169 -0.0023 -0.0014 0.0157 0.8540 0.8949 0.9469 0.9956 1.3484 1.3909 1.4992 1.5446 1.6291 1.6709 1.8683 1.9303 2.5972 2.7040 2.8795 2.9443 3.1149 3.1654 3.2940 3.3440 7.7433 7.7544 7.8183 7.8319 10.4139 10.4253 10.4875 10.5350 11.1211 11.2163 k = 0.3765 0.5025-0.0000 ( 6958 PWs) bands (ev): -9.7464 -9.7464 -9.7421 -9.7421 -9.7213 -9.7213 -9.7174 -9.7174 -3.6541 -3.6513 -3.6506 -3.6474 -3.5743 -3.5739 -3.5724 -3.5722 -3.0246 -3.0230 -3.0205 -3.0187 -2.9164 -2.9154 -2.9114 -2.9102 -2.8804 -2.8790 -2.8766 -2.8751 -0.0079 0.0012 0.0072 0.0191 0.8806 0.9231 0.9570 1.0048 1.3189 1.3503 1.4811 1.5283 1.6072 1.6377 1.8488 1.9042 2.5824 2.6793 2.8883 2.9408 3.0958 3.1380 3.3040 3.3470 7.7746 7.7866 7.8317 7.8469 10.4631 10.4787 10.4966 10.5232 11.0856 11.1671 k = 0.3704 0.5132-0.0000 ( 6958 PWs) bands (ev): -9.7435 -9.7434 -9.7387 -9.7387 -9.7215 -9.7215 -9.7173 -9.7172 -3.6487 -3.6458 -3.6450 -3.6417 -3.5781 -3.5776 -3.5762 -3.5758 -3.0188 -3.0169 -3.0150 -3.0129 -2.9173 -2.9167 -2.9122 -2.9112 -2.8844 -2.8830 -2.8806 -2.8790 -0.0000 0.0047 0.0142 0.0227 0.9062 0.9507 0.9663 1.0098 1.2936 1.3111 1.4659 1.5143 1.5917 1.6111 1.8255 1.8725 2.5747 2.6600 2.8973 2.9379 3.0780 3.1112 3.3131 3.3493 7.8014 7.8140 7.8428 7.8597 10.4693 10.5065 10.5314 10.5433 11.0492 11.1181 k = 0.3642 0.5239-0.0000 ( 6970 PWs) bands (ev): -9.7405 -9.7405 -9.7356 -9.7356 -9.7219 -9.7219 -9.7174 -9.7174 -3.6436 -3.6405 -3.6397 -3.6362 -3.5820 -3.5814 -3.5800 -3.5794 -3.0135 -3.0113 -3.0100 -3.0077 -2.9179 -2.9178 -2.9126 -2.9120 -2.8881 -2.8868 -2.8845 -2.8827 0.0058 0.0090 0.0189 0.0270 0.9287 0.9764 0.9769 1.0112 1.2718 1.2729 1.4542 1.5028 1.5833 1.5928 1.7992 1.8362 2.5732 2.6456 2.9061 2.9350 3.0620 3.0856 3.3213 3.3509 7.8231 7.8362 7.8518 7.8706 10.4637 10.4920 10.5786 10.5982 11.0122 11.0698 k = 0.3580 0.5346-0.0000 ( 6962 PWs) bands (ev): -9.7376 -9.7376 -9.7327 -9.7327 -9.7224 -9.7223 -9.7180 -9.7179 -3.6385 -3.6356 -3.6345 -3.6310 -3.5858 -3.5851 -3.5837 -3.5830 -3.0086 -3.0064 -3.0056 -3.0034 -2.9188 -2.9179 -2.9127 -2.9126 -2.8912 -2.8901 -2.8880 -2.8862 0.0092 0.0141 0.0217 0.0313 0.9449 0.9925 0.9944 1.0151 1.2355 1.2524 1.4468 1.4936 1.5821 1.5837 1.7711 1.7964 2.5766 2.6354 2.9141 2.9320 3.0486 3.0620 3.3285 3.3519 7.8396 7.8527 7.8595 7.8802 10.4572 10.4777 10.6233 10.6516 10.9755 11.0225 k = 0.3519 0.5453-0.0000 ( 6964 PWs) bands (ev): -9.7347 -9.7347 -9.7301 -9.7300 -9.7230 -9.7230 -9.7189 -9.7189 -3.6340 -3.6312 -3.6299 -3.6264 -3.5892 -3.5885 -3.5873 -3.5864 -3.0045 -3.0025 -3.0021 -3.0002 -2.9196 -2.9175 -2.9132 -2.9126 -2.8938 -2.8929 -2.8911 -2.8894 0.0117 0.0185 0.0235 0.0348 0.9545 0.9948 1.0139 1.0315 1.1993 1.2347 1.4441 1.4861 1.5840 1.5877 1.7428 1.7545 2.5836 2.6280 2.9207 2.9289 3.0382 3.0416 3.3348 3.3520 7.8506 7.8639 7.8663 7.8885 10.4516 10.4655 10.6642 10.7020 10.9403 10.9768 k = 0.3457 0.5560-0.0000 ( 6964 PWs) bands (ev): -9.7319 -9.7319 -9.7278 -9.7277 -9.7239 -9.7239 -9.7203 -9.7203 -3.6302 -3.6275 -3.6261 -3.6226 -3.5920 -3.5914 -3.5904 -3.5895 -3.0013 -2.9996 -2.9995 -2.9982 -2.9200 -2.9165 -2.9136 -2.9122 -2.8956 -2.8950 -2.8937 -2.8921 0.0139 0.0215 0.0245 0.0370 0.9611 0.9890 1.0378 1.0490 1.1649 1.2197 1.4464 1.4795 1.5929 1.5989 1.7119 1.7167 2.5926 2.6222 2.9249 2.9261 3.0258 3.0312 3.3401 3.3514 7.8569 7.8708 7.8718 7.8949 10.4478 10.4561 10.6994 10.7485 10.9089 10.9337 k = 0.3395 0.5667-0.0000 ( 6960 PWs) bands (ev): -9.7292 -9.7292 -9.7258 -9.7258 -9.7250 -9.7250 -9.7220 -9.7220 -3.6275 -3.6248 -3.6238 -3.6200 -3.5936 -3.5933 -3.5927 -3.5919 -2.9990 -2.9979 -2.9979 -2.9973 -2.9201 -2.9153 -2.9139 -2.9119 -2.8967 -2.8962 -2.8955 -2.8940 0.0155 0.0233 0.0249 0.0380 0.9675 0.9820 1.0598 1.0618 1.1350 1.2094 1.4532 1.4724 1.6093 1.6135 1.6701 1.6965 2.6020 2.6166 2.9245 2.9261 3.0164 3.0272 3.3444 3.3500 7.8602 7.8745 7.8751 7.8988 10.4462 10.4499 10.7248 10.7880 10.8858 10.8962 k = 0.3333 0.5774-0.0000 ( 6948 PWs) bands (ev): -9.7272 -9.7272 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6265 -3.6234 -3.6234 -3.6190 -3.5939 -3.5939 -3.5933 -3.5933 -2.9976 -2.9976 -2.9973 -2.9973 -2.9201 -2.9144 -2.9144 -2.9118 -2.8969 -2.8964 -2.8964 -2.8947 0.0162 0.0244 0.0244 0.0382 0.9747 0.9747 1.0688 1.0688 1.1203 1.2058 1.4632 1.4632 1.6273 1.6273 1.6357 1.6880 2.6102 2.6102 2.9249 2.9249 3.0134 3.0260 3.3477 3.3477 7.8612 7.8759 7.8759 7.8999 10.4468 10.4468 10.7343 10.8075 10.8772 10.8772 k = 0.3333 0.5774-0.0000 ( 6948 PWs) bands (ev): -9.7272 -9.7272 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6265 -3.6234 -3.6234 -3.6190 -3.5939 -3.5939 -3.5933 -3.5933 -2.9976 -2.9976 -2.9973 -2.9973 -2.9201 -2.9144 -2.9144 -2.9118 -2.8969 -2.8964 -2.8964 -2.8947 0.0162 0.0244 0.0244 0.0382 0.9747 0.9747 1.0688 1.0688 1.1203 1.2058 1.4632 1.4632 1.6273 1.6273 1.6357 1.6880 2.6102 2.6102 2.9249 2.9249 3.0134 3.0260 3.3477 3.3477 7.8612 7.8759 7.8759 7.8999 10.4468 10.4468 10.7343 10.8075 10.8772 10.8772 k = 0.3270 0.5665-0.0000 ( 6956 PWs) bands (ev): -9.7295 -9.7295 -9.7257 -9.7257 -9.7250 -9.7250 -9.7219 -9.7218 -3.6275 -3.6251 -3.6235 -3.6200 -3.5936 -3.5932 -3.5929 -3.5918 -2.9989 -2.9980 -2.9978 -2.9973 -2.9202 -2.9151 -2.9144 -2.9119 -2.8967 -2.8959 -2.8957 -2.8939 0.0153 0.0226 0.0258 0.0383 0.9664 0.9824 1.0543 1.0715 1.1324 1.2091 1.4503 1.4733 1.5974 1.6358 1.6607 1.6976 2.6021 2.6159 2.9237 2.9281 3.0158 3.0271 3.3444 3.3499 7.8600 7.8750 7.8750 7.8990 10.4465 10.4494 10.7259 10.7903 10.8852 10.8933 k = 0.3208 0.5556-0.0000 ( 6956 PWs) bands (ev): -9.7331 -9.7331 -9.7273 -9.7273 -9.7243 -9.7242 -9.7195 -9.7194 -3.6300 -3.6282 -3.6251 -3.6226 -3.5924 -3.5912 -3.5911 -3.5892 -3.0011 -2.9996 -2.9990 -2.9979 -2.9206 -2.9159 -2.9154 -2.9124 -2.8956 -2.8945 -2.8937 -2.8917 0.0124 0.0191 0.0279 0.0389 0.9567 0.9860 1.0387 1.0738 1.1537 1.2176 1.4340 1.4750 1.5799 1.6428 1.6927 1.7213 2.5921 2.6176 2.9253 2.9341 3.0216 3.0305 3.3402 3.3510 7.8556 7.8713 7.8737 7.8971 10.4485 10.4535 10.7076 10.7611 10.9019 10.9196 k = 0.3145 0.5447-0.0000 ( 6944 PWs) bands (ev): -9.7376 -9.7375 -9.7289 -9.7289 -9.7243 -9.7243 -9.7169 -9.7169 -3.6335 -3.6322 -3.6279 -3.6261 -3.5902 -3.5887 -3.5883 -3.5862 -3.0039 -3.0020 -3.0010 -2.9994 -2.9213 -2.9169 -2.9169 -2.9135 -2.8936 -2.8923 -2.8907 -2.8888 0.0080 0.0141 0.0307 0.0403 0.9455 0.9770 1.0393 1.0787 1.1755 1.2289 1.4160 1.4608 1.5853 1.6541 1.7278 1.7519 2.5806 2.6151 2.9313 2.9425 3.0294 3.0361 3.3350 3.3511 7.8479 7.8644 7.8732 7.8955 10.4519 10.4582 10.6873 10.7333 10.9197 10.9428 k = 0.3082 0.5338-0.0000 ( 6948 PWs) bands (ev): -9.7428 -9.7427 -9.7307 -9.7307 -9.7251 -9.7250 -9.7144 -9.7144 -3.6376 -3.6367 -3.6315 -3.6303 -3.5877 -3.5860 -3.5853 -3.5831 -3.0072 -3.0051 -3.0036 -3.0016 -2.9224 -2.9188 -2.9181 -2.9150 -2.8909 -2.8897 -2.8872 -2.8855 0.0026 0.0081 0.0341 0.0425 0.9333 0.9595 1.0532 1.0878 1.1955 1.2415 1.3990 1.4372 1.6073 1.6706 1.7653 1.7862 2.5681 2.6088 2.9417 2.9521 3.0386 3.0443 3.3289 3.3499 7.8375 7.8545 7.8736 7.8946 10.4555 10.4626 10.6694 10.7101 10.9343 10.9596 k = 0.3019 0.5229-0.0000 ( 6946 PWs) bands (ev): -9.7487 -9.7487 -9.7327 -9.7326 -9.7265 -9.7265 -9.7119 -9.7119 -3.6420 -3.6414 -3.6356 -3.6347 -3.5851 -3.5834 -3.5824 -3.5802 -3.0108 -3.0086 -3.0066 -3.0044 -2.9238 -2.9207 -2.9194 -2.9167 -2.8879 -2.8870 -2.8835 -2.8822 -0.0034 0.0015 0.0383 0.0457 0.9213 0.9414 1.0725 1.1007 1.2128 1.2547 1.3857 1.4125 1.6378 1.6918 1.8046 1.8229 2.5555 2.5998 2.9555 2.9616 3.0491 3.0556 3.3217 3.3476 7.8252 7.8423 7.8746 7.8946 10.4580 10.4653 10.6566 10.6931 10.9435 10.9690 k = 0.2956 0.5120-0.0000 ( 6944 PWs) bands (ev): -9.7554 -9.7554 -9.7348 -9.7347 -9.7287 -9.7286 -9.7095 -9.7095 -3.6466 -3.6462 -3.6399 -3.6394 -3.5827 -3.5808 -3.5797 -3.5774 -3.0147 -3.0124 -3.0100 -3.0076 -2.9254 -2.9229 -2.9208 -2.9185 -2.8848 -2.8841 -2.8798 -2.8788 -0.0096 -0.0052 0.0431 0.0496 0.9107 0.9257 1.0931 1.1162 1.2275 1.2683 1.3784 1.3909 1.6728 1.7169 1.8453 1.8611 2.5436 2.5894 2.9699 2.9712 3.0613 3.0703 3.3136 3.3441 7.8118 7.8285 7.8763 7.8954 10.4582 10.4657 10.6503 10.6833 10.9463 10.9704 k = 0.2893 0.5011-0.0000 ( 6936 PWs) bands (ev): -9.7629 -9.7628 -9.7371 -9.7370 -9.7315 -9.7314 -9.7072 -9.7072 -3.6512 -3.6510 -3.6444 -3.6441 -3.5806 -3.5784 -3.5775 -3.5750 -3.0186 -3.0163 -3.0136 -3.0112 -2.9272 -2.9251 -2.9223 -2.9204 -2.8821 -2.8810 -2.8765 -2.8756 -0.0155 -0.0117 0.0486 0.0545 0.9023 0.9132 1.1121 1.1325 1.2415 1.2825 1.3743 1.3778 1.7107 1.7449 1.8868 1.9005 2.5332 2.5790 2.9764 2.9870 3.0755 3.0884 3.3045 3.3394 7.7977 7.8138 7.8787 7.8969 10.4561 10.4634 10.6508 10.6806 10.9420 10.9640 k = 0.2830 0.4902-0.0000 ( 6932 PWs) bands (ev): -9.7711 -9.7711 -9.7396 -9.7394 -9.7351 -9.7349 -9.7050 -9.7050 -3.6558 -3.6558 -3.6489 -3.6488 -3.5789 -3.5763 -3.5757 -3.5728 -3.0226 -3.0204 -3.0174 -3.0150 -2.9292 -2.9275 -2.9239 -2.9223 -2.8796 -2.8781 -2.8738 -2.8725 -0.0210 -0.0176 0.0550 0.0603 0.8968 0.9044 1.1264 1.1476 1.2588 1.2983 1.3641 1.3831 1.7507 1.7755 1.9291 1.9406 2.5251 2.5696 2.9811 3.0014 3.0925 3.1091 3.2944 3.3336 7.7834 7.7988 7.8818 7.8991 10.4520 10.4592 10.6575 10.6842 10.9308 10.9501 k = 0.2767 0.4793-0.0000 ( 6940 PWs) bands (ev): -9.7801 -9.7800 -9.7423 -9.7421 -9.7393 -9.7391 -9.7030 -9.7029 -3.6606 -3.6605 -3.6535 -3.6535 -3.5777 -3.5746 -3.5744 -3.5711 -3.0267 -3.0246 -3.0214 -3.0190 -2.9313 -2.9300 -2.9256 -2.9244 -2.8777 -2.8755 -2.8717 -2.8698 -0.0256 -0.0225 0.0622 0.0671 0.8947 0.8997 1.1344 1.1597 1.2824 1.3166 1.3608 1.3923 1.7920 1.8080 1.9717 1.9811 2.5200 2.5621 2.9842 3.0135 3.1124 3.1319 3.2834 3.3266 7.7694 7.7839 7.8857 7.9020 10.4473 10.4541 10.6689 10.6926 10.9130 10.9296 k = 0.2704 0.4684-0.0000 ( 6952 PWs) bands (ev): -9.7898 -9.7898 -9.7455 -9.7450 -9.7443 -9.7438 -9.7011 -9.7010 -3.6652 -3.6650 -3.6581 -3.6580 -3.5769 -3.5735 -3.5732 -3.5697 -3.0307 -3.0287 -3.0254 -3.0231 -2.9337 -2.9326 -2.9275 -2.9266 -2.8761 -2.8733 -2.8701 -2.8675 -0.0291 -0.0262 0.0702 0.0747 0.8962 0.8991 1.1376 1.1682 1.3126 1.3358 1.3660 1.4039 1.8344 1.8422 2.0145 2.0218 2.5183 2.5573 2.9861 3.0232 3.1345 3.1558 3.2716 3.3186 7.7560 7.7694 7.8903 7.9056 10.4431 10.4494 10.6835 10.7045 10.8890 10.9031 k = 0.2642 0.4575-0.0000 ( 6954 PWs) bands (ev): -9.8003 -9.8002 -9.7504 -9.7501 -9.7479 -9.7477 -9.6993 -9.6993 -3.6697 -3.6694 -3.6626 -3.6624 -3.5766 -3.5732 -3.5723 -3.5688 -3.0347 -3.0328 -3.0293 -3.0273 -2.9362 -2.9354 -2.9294 -2.9288 -2.8750 -2.8715 -2.8689 -2.8657 -0.0313 -0.0286 0.0790 0.0833 0.9018 0.9029 1.1386 1.1741 1.3473 1.3493 1.3854 1.4171 1.8774 1.8778 2.0572 2.0624 2.5205 2.5557 2.9871 3.0308 3.1582 3.1803 3.2593 3.3098 7.7434 7.7558 7.8956 7.9099 10.4404 10.4461 10.7002 10.7185 10.8598 10.8715 k = 0.2579 0.4466-0.0000 ( 6958 PWs) bands (ev): -9.8114 -9.8114 -9.7567 -9.7566 -9.7512 -9.7510 -9.6977 -9.6976 -3.6741 -3.6737 -3.6670 -3.6667 -3.5768 -3.5734 -3.5717 -3.5683 -3.0385 -3.0368 -3.0333 -3.0314 -2.9389 -2.9384 -2.9316 -2.9312 -2.8743 -2.8702 -2.8684 -2.8646 -0.0320 -0.0294 0.0886 0.0927 0.9110 0.9114 1.1397 1.1791 1.3571 1.3826 1.4169 1.4333 1.9146 1.9210 2.0996 2.1028 2.5267 2.5577 2.9874 3.0368 3.1818 3.2045 3.2470 3.3003 7.7321 7.7433 7.9016 7.9147 10.4397 10.4448 10.7179 10.7337 10.8261 10.8356 k = 0.2516 0.4357-0.0000 ( 6954 PWs) bands (ev): -9.8233 -9.8233 -9.7638 -9.7638 -9.7546 -9.7545 -9.6962 -9.6962 -3.6783 -3.6779 -3.6713 -3.6709 -3.5774 -3.5740 -3.5716 -3.5682 -3.0422 -3.0407 -3.0372 -3.0355 -2.9417 -2.9414 -2.9338 -2.9336 -2.8741 -2.8695 -2.8683 -2.8639 -0.0310 -0.0285 0.0988 0.1028 0.9236 0.9253 1.1424 1.1848 1.3634 1.4112 1.4544 1.4586 1.9523 1.9648 2.1415 2.1427 2.5369 2.5634 2.9873 3.0416 3.2017 3.2275 3.2382 3.2911 7.7221 7.7321 7.9081 7.9201 10.4413 10.4459 10.7353 10.7493 10.7894 10.7964 k = 0.2453 0.4248-0.0000 ( 6954 PWs) bands (ev): -9.8359 -9.8358 -9.7717 -9.7717 -9.7582 -9.7581 -9.6949 -9.6948 -3.6823 -3.6818 -3.6754 -3.6750 -3.5785 -3.5752 -3.5719 -3.5686 -3.0458 -3.0444 -3.0410 -3.0395 -2.9447 -2.9446 -2.9362 -2.9362 -2.8744 -2.8693 -2.8688 -2.8639 -0.0283 -0.0258 0.1095 0.1135 0.9407 0.9434 1.1475 1.1925 1.3695 1.4287 1.4954 1.4963 1.9909 2.0088 2.1819 2.1828 2.5512 2.5730 2.9869 3.0455 3.2045 3.2456 3.2457 3.2854 7.7136 7.7224 7.9150 7.9258 10.4451 10.4493 10.7392 10.7521 10.7634 10.7675 k = 0.2390 0.4139-0.0000 ( 6946 PWs) bands (ev): -9.8491 -9.8490 -9.7803 -9.7803 -9.7619 -9.7619 -9.6937 -9.6937 -3.6861 -3.6856 -3.6793 -3.6789 -3.5801 -3.5768 -3.5727 -3.5695 -3.0493 -3.0481 -3.0447 -3.0434 -2.9479 -2.9478 -2.9389 -2.9387 -2.8751 -2.8698 -2.8696 -2.8644 -0.0237 -0.0212 0.1206 0.1246 0.9621 0.9658 1.1556 1.2030 1.3756 1.4406 1.5388 1.5409 2.0302 2.0528 2.2204 2.2231 2.5693 2.5864 2.9863 3.0489 3.1930 3.2500 3.2664 3.2924 7.7068 7.7144 7.9221 7.9316 10.4510 10.4549 10.7018 10.7094 10.7765 10.7819 k = 0.2327 0.4031-0.0000 ( 6961 PWs) bands (ev): -9.8629 -9.8629 -9.7895 -9.7895 -9.7659 -9.7658 -9.6927 -9.6927 -3.6898 -3.6893 -3.6832 -3.6827 -3.5821 -3.5790 -3.5740 -3.5710 -3.0528 -3.0517 -3.0484 -3.0473 -2.9513 -2.9512 -2.9418 -2.9415 -2.8764 -2.8714 -2.8705 -2.8656 -0.0172 -0.0147 0.1319 0.1360 0.9878 0.9924 1.1669 1.2166 1.3822 1.4508 1.5839 1.5884 2.0698 2.0967 2.2579 2.2624 2.5908 2.6034 2.9859 3.0518 3.1784 3.2421 3.2893 3.3103 7.7017 7.7081 7.9292 7.9374 10.4580 10.4620 10.6593 10.6650 10.7938 10.7971 k = 0.2264 0.3922-0.0000 ( 6949 PWs) bands (ev): -9.8773 -9.8772 -9.7994 -9.7994 -9.7699 -9.7699 -9.6919 -9.6919 -3.6933 -3.6928 -3.6868 -3.6863 -3.5845 -3.5815 -3.5758 -3.5728 -3.0560 -3.0551 -3.0520 -3.0510 -2.9547 -2.9546 -2.9447 -2.9443 -2.8781 -2.8734 -2.8719 -2.8673 -0.0088 -0.0062 0.1432 0.1474 1.0178 1.0232 1.1816 1.2335 1.3899 1.4609 1.6301 1.6375 2.1097 2.1403 2.2943 2.3005 2.6155 2.6238 2.9855 3.0545 3.1631 3.2308 3.3120 3.3305 7.6984 7.7036 7.9359 7.9429 10.4641 10.4690 10.6182 10.6219 10.8109 10.8119 k = 0.2201 0.3813-0.0000 ( 6965 PWs) bands (ev): -9.8922 -9.8921 -9.8099 -9.8099 -9.7742 -9.7742 -9.6912 -9.6912 -3.6967 -3.6962 -3.6903 -3.6898 -3.5875 -3.5845 -3.5780 -3.5752 -3.0592 -3.0585 -3.0555 -3.0547 -2.9583 -2.9581 -2.9478 -2.9473 -2.8802 -2.8758 -2.8739 -2.8696 0.0016 0.0043 0.1543 0.1585 1.0519 1.0581 1.1997 1.2537 1.3992 1.4719 1.6770 1.6874 2.1494 2.1836 2.3295 2.3370 2.6429 2.6472 2.9854 3.0570 3.1481 3.2186 3.3337 3.3505 7.6968 7.7009 7.9421 7.9477 10.4648 10.4716 10.5837 10.5847 10.8260 10.8276 k = 0.2138 0.3704-0.0000 ( 6959 PWs) bands (ev): -9.9076 -9.9075 -9.8210 -9.8210 -9.7786 -9.7785 -9.6907 -9.6907 -3.6999 -3.6994 -3.6936 -3.6931 -3.5908 -3.5879 -3.5807 -3.5780 -3.0623 -3.0617 -3.0588 -3.0583 -2.9619 -2.9616 -2.9510 -2.9504 -2.8827 -2.8786 -2.8762 -2.8723 0.0139 0.0166 0.1649 0.1691 1.0900 1.0969 1.2212 1.2770 1.4109 1.4848 1.7242 1.7377 2.1886 2.2263 2.3636 2.3719 2.6727 2.6733 2.9857 3.0590 3.1341 3.2067 3.3544 3.3696 7.6970 7.7000 7.9472 7.9515 10.4516 10.4609 10.5627 10.5644 10.8395 10.8435 k = 0.2075 0.3595-0.0000 ( 6965 PWs) bands (ev): -9.9234 -9.9234 -9.8326 -9.8325 -9.7831 -9.7831 -9.6903 -9.6903 -3.7030 -3.7024 -3.6968 -3.6963 -3.5945 -3.5917 -3.5839 -3.5813 -3.0653 -3.0649 -3.0622 -3.0618 -2.9655 -2.9652 -2.9542 -2.9536 -2.8856 -2.8818 -2.8791 -2.8754 0.0281 0.0309 0.1748 0.1790 1.1319 1.1395 1.2459 1.3031 1.4261 1.5004 1.7715 1.7881 2.2268 2.2683 2.3965 2.4049 2.7017 2.7043 2.9863 3.0602 3.1221 3.1954 3.3737 3.3875 7.6989 7.7008 7.9507 7.9538 10.4223 10.4324 10.5601 10.5626 10.8521 10.8587 k = 0.2013 0.3486-0.0000 ( 6965 PWs) bands (ev): -9.9396 -9.9396 -9.8446 -9.8446 -9.7877 -9.7877 -9.6901 -9.6901 -3.7059 -3.7054 -3.6998 -3.6993 -3.5985 -3.5959 -3.5874 -3.5850 -3.0683 -3.0680 -3.0654 -3.0652 -2.9691 -2.9687 -2.9575 -2.9568 -2.8887 -2.8853 -2.8822 -2.8789 0.0442 0.0470 0.1836 0.1879 1.1773 1.1856 1.2738 1.3313 1.4456 1.5194 1.8184 1.8383 2.2634 2.3094 2.4285 2.4361 2.7319 2.7375 2.9874 3.0597 3.1137 3.1854 3.3917 3.4042 7.7024 7.7033 7.9523 7.9541 10.3850 10.3951 10.5680 10.5701 10.8638 10.8731 k = 0.1950 0.3377-0.0000 ( 6963 PWs) bands (ev): -9.9561 -9.9561 -9.8571 -9.8571 -9.7924 -9.7924 -9.6900 -9.6900 -3.7088 -3.7082 -3.7027 -3.7022 -3.6028 -3.6003 -3.5914 -3.5891 -3.0712 -3.0711 -3.0687 -3.0686 -2.9726 -2.9721 -2.9608 -2.9601 -2.8922 -2.8891 -2.8857 -2.8828 0.0620 0.0649 0.1913 0.1955 1.2260 1.2352 1.3047 1.3610 1.4707 1.5425 1.8648 1.8880 2.2977 2.3490 2.4599 2.4655 2.7634 2.7719 2.9889 3.0568 3.1100 3.1771 3.4083 3.4195 7.7073 7.7073 7.9512 7.9518 10.3460 10.3562 10.5787 10.5800 10.8742 10.8865 k = 0.1887 0.3268-0.0000 ( 6979 PWs) bands (ev): -9.9729 -9.9729 -9.8700 -9.8700 -9.7973 -9.7973 -9.6901 -9.6901 -3.7115 -3.7110 -3.7055 -3.7050 -3.6074 -3.6051 -3.5958 -3.5936 -3.0742 -3.0741 -3.0722 -3.0720 -2.9761 -2.9755 -2.9641 -2.9634 -2.8959 -2.8931 -2.8896 -2.8870 0.0815 0.0844 0.1975 0.2017 1.2775 1.2878 1.3388 1.3920 1.5018 1.5701 1.9104 1.9372 2.3290 2.3866 2.4911 2.4932 2.7958 2.8070 2.9910 3.0523 3.1111 3.1709 3.4234 3.4334 7.7127 7.7136 7.9463 7.9469 10.3085 10.3191 10.5881 10.5882 10.8829 10.8984 k = 0.1824 0.3159-0.0000 ( 6975 PWs) bands (ev): -9.9899 -9.9898 -9.8832 -9.8832 -9.8022 -9.8022 -9.6903 -9.6903 -3.7141 -3.7136 -3.7082 -3.7077 -3.6123 -3.6101 -3.6005 -3.5984 -3.0773 -3.0771 -3.0756 -3.0753 -2.9793 -2.9787 -2.9674 -2.9666 -2.8997 -2.8973 -2.8936 -2.8912 0.1025 0.1054 0.2022 0.2063 1.3312 1.3432 1.3762 1.4244 1.5393 1.6025 1.9549 1.9855 2.3565 2.4212 2.5201 2.5227 2.8285 2.8425 2.9936 3.0479 3.1160 3.1672 3.4370 3.4459 7.7193 7.7210 7.9370 7.9386 10.2743 10.2857 10.5923 10.5934 10.8886 10.9078 k = 0.1761 0.3050-0.0000 ( 6971 PWs) bands (ev): -10.0070 -10.0070 -9.8966 -9.8966 -9.8071 -9.8071 -9.6906 -9.6906 -3.7167 -3.7162 -3.7108 -3.7104 -3.6173 -3.6152 -3.6054 -3.6036 -3.0805 -3.0802 -3.0791 -3.0787 -2.9824 -2.9818 -2.9706 -2.9698 -2.9037 -2.9016 -2.8976 -2.8956 0.1249 0.1278 0.2052 0.2092 1.3859 1.4009 1.4180 1.4587 1.5826 1.6398 1.9983 2.0329 2.3797 2.4516 2.5471 2.5549 2.8607 2.8778 2.9972 3.0455 3.1235 3.1663 3.4493 3.4570 7.7269 7.7294 7.9232 7.9258 10.2446 10.2572 10.5897 10.5922 10.8872 10.9105 k = 0.1698 0.2941-0.0000 ( 6987 PWs) bands (ev): -10.0242 -10.0242 -9.9103 -9.9103 -9.8121 -9.8121 -9.6911 -9.6911 -3.7192 -3.7188 -3.7135 -3.7131 -3.6225 -3.6206 -3.6108 -3.6091 -3.0839 -3.0834 -3.0828 -3.0822 -2.9853 -2.9846 -2.9737 -2.9729 -2.9078 -2.9060 -2.9019 -2.9001 0.1485 0.1514 0.2066 0.2104 1.4391 1.4601 1.4662 1.4960 1.6312 1.6821 2.0404 2.0792 2.3985 2.4766 2.5755 2.5879 2.8916 2.9123 3.0024 3.0467 3.1332 3.1682 3.4601 3.4668 7.7352 7.7384 7.9043 7.9077 10.2202 10.2347 10.5784 10.5824 10.8660 10.8930 k = 0.1635 0.2832-0.0000 ( 6987 PWs) bands (ev): -10.0414 -10.0414 -9.9241 -9.9241 -9.8172 -9.8172 -9.6917 -9.6917 -3.7217 -3.7213 -3.7160 -3.7156 -3.6278 -3.6260 -3.6163 -3.6147 -3.0874 -3.0868 -3.0865 -3.0858 -2.9879 -2.9872 -2.9766 -2.9759 -2.9120 -2.9105 -2.9061 -2.9046 0.1730 0.1758 0.2066 0.2103 1.4896 1.5185 1.5217 1.5389 1.6843 1.7290 2.0810 2.1243 2.4130 2.4957 2.6058 2.6216 2.9202 2.9443 3.0107 3.0526 3.1445 3.1729 3.4695 3.4754 7.7440 7.7479 7.8798 7.8839 10.2018 10.2189 10.5571 10.5623 10.8103 10.8391 k = 0.1572 0.2723-0.0000 ( 6985 PWs) bands (ev): -10.0586 -10.0586 -9.9380 -9.9380 -9.8222 -9.8222 -9.6923 -9.6923 -3.7241 -3.7238 -3.7185 -3.7182 -3.6331 -3.6315 -3.6220 -3.6206 -3.0910 -3.0904 -3.0903 -3.0896 -2.9901 -2.9894 -2.9794 -2.9786 -2.9162 -2.9149 -2.9103 -2.9090 0.1959 0.1982 0.2075 0.2114 1.5397 1.5700 1.5815 1.5929 1.7414 1.7802 2.1202 2.1682 2.4239 2.5095 2.6380 2.6559 2.9455 2.9709 3.0251 3.0642 3.1574 3.1800 3.4777 3.4828 7.7529 7.7574 7.8492 7.8538 10.1894 10.2104 10.5249 10.5312 10.7316 10.7639 k = 0.1509 0.2614-0.0000 ( 6981 PWs) bands (ev): -10.0757 -10.0757 -9.9520 -9.9520 -9.8273 -9.8272 -9.6931 -9.6931 -3.7265 -3.7262 -3.7210 -3.7207 -3.6385 -3.6370 -3.6279 -3.6266 -3.0949 -3.0942 -3.0942 -3.0934 -2.9921 -2.9914 -2.9819 -2.9812 -2.9204 -2.9193 -2.9144 -2.9133 0.1989 0.2016 0.2275 0.2308 1.5917 1.6183 1.6430 1.6541 1.8018 1.8354 2.1580 2.2109 2.4320 2.5192 2.6713 2.6904 2.9670 2.9895 3.0481 3.0817 3.1717 3.1894 3.4847 3.4890 7.7617 7.7666 7.8122 7.8173 10.1826 10.2092 10.4820 10.4894 10.6437 10.6821 k = 0.1447 0.2505-0.0000 ( 6973 PWs) bands (ev): -10.0926 -10.0926 -9.9659 -9.9659 -9.8323 -9.8323 -9.6939 -9.6939 -3.7289 -3.7286 -3.7235 -3.7232 -3.6438 -3.6424 -3.6338 -3.6327 -3.0991 -3.0983 -3.0982 -3.0974 -2.9937 -2.9931 -2.9841 -2.9834 -2.9246 -2.9237 -2.9184 -2.9175 0.1945 0.1971 0.2542 0.2572 1.6462 1.6686 1.7044 1.7164 1.8652 1.8942 2.1944 2.2525 2.4383 2.5266 2.7051 2.7249 2.9854 3.0026 3.0771 3.1039 3.1873 3.2007 3.4906 3.4943 7.7686 7.7700 7.7727 7.7766 10.1797 10.2145 10.4292 10.4390 10.5515 10.6005 k = 0.1384 0.2397-0.0000 ( 6977 PWs) bands (ev): -10.1093 -10.1093 -9.9797 -9.9797 -9.8372 -9.8372 -9.6949 -9.6949 -3.7313 -3.7311 -3.7261 -3.7259 -3.6490 -3.6478 -3.6398 -3.6388 -3.1035 -3.1027 -3.1024 -3.1016 -2.9951 -2.9944 -2.9862 -2.9855 -2.9286 -2.9279 -2.9223 -2.9215 0.1885 0.1910 0.2816 0.2844 1.7033 1.7217 1.7645 1.7776 1.9310 1.9560 2.2298 2.2929 2.4440 2.5330 2.7388 2.7590 3.0018 3.0142 3.1082 3.1290 3.2041 3.2136 3.4955 3.4986 7.7187 7.7241 7.7773 7.7831 10.1765 10.2226 10.3676 10.3850 10.4567 10.5250 k = 0.1321 0.2288-0.0000 ( 6975 PWs) bands (ev): -10.1257 -10.1257 -9.9934 -9.9934 -9.8422 -9.8422 -9.6959 -9.6958 -3.7337 -3.7336 -3.7287 -3.7285 -3.6541 -3.6531 -3.6458 -3.6449 -3.1080 -3.1073 -3.1068 -3.1060 -2.9961 -2.9955 -2.9879 -2.9873 -2.9326 -2.9320 -2.9260 -2.9254 0.1814 0.1837 0.3093 0.3120 1.7632 1.7775 1.8218 1.8363 1.9989 2.0205 2.2648 2.3325 2.4505 2.5399 2.7723 2.7928 3.0174 3.0258 3.1393 3.1553 3.2223 3.2279 3.4995 3.5022 7.6624 7.6679 7.7835 7.7895 10.1643 10.2185 10.2979 10.3422 10.3620 10.4658 k = 0.1258 0.2179-0.0000 ( 6975 PWs) bands (ev): -10.1418 -10.1418 -10.0069 -10.0069 -9.8470 -9.8470 -9.6969 -9.6969 -3.7362 -3.7361 -3.7314 -3.7312 -3.6591 -3.6582 -3.6517 -3.6509 -3.1128 -3.1121 -3.1113 -3.1105 -2.9968 -2.9963 -2.9894 -2.9888 -2.9364 -2.9359 -2.9295 -2.9290 0.1734 0.1756 0.3370 0.3396 1.8254 1.8356 1.8748 1.8909 2.0685 2.0872 2.3002 2.3715 2.4593 2.5485 2.8054 2.8260 3.0327 3.0382 3.1693 3.1814 3.2418 3.2435 3.5027 3.5051 7.6003 7.6058 7.7881 7.7943 10.1315 10.1759 10.2203 10.2614 10.3448 10.4361 k = 0.1195 0.2070-0.0000 ( 6979 PWs) bands (ev): -10.1575 -10.1575 -10.0201 -10.0201 -9.8517 -9.8517 -9.6980 -9.6980 -3.7388 -3.7386 -3.7341 -3.7340 -3.6639 -3.6631 -3.6575 -3.6568 -3.1177 -3.1170 -3.1159 -3.1152 -2.9973 -2.9968 -2.9906 -2.9901 -2.9400 -2.9397 -2.9329 -2.9325 0.1649 0.1668 0.3645 0.3670 1.8899 1.8943 1.9218 1.9408 2.1394 2.1555 2.3371 2.4103 2.4717 2.5599 2.8380 2.8586 3.0483 3.0517 3.1974 3.2064 3.2606 3.2626 3.5053 3.5075 7.5328 7.5382 7.7908 7.7972 10.0748 10.1047 10.1353 10.1634 10.3758 10.4400 k = 0.1132 0.1961-0.0000 ( 6963 PWs) bands (ev): -10.1727 -10.1727 -10.0330 -10.0330 -9.8564 -9.8563 -9.6991 -9.6991 -3.7413 -3.7412 -3.7369 -3.7367 -3.6684 -3.6677 -3.6630 -3.6624 -3.1227 -3.1221 -3.1206 -3.1199 -2.9975 -2.9970 -2.9915 -2.9910 -2.9434 -2.9431 -2.9360 -2.9357 0.1558 0.1576 0.3916 0.3940 1.9492 1.9552 1.9620 1.9884 2.2109 2.2249 2.3768 2.4496 2.4889 2.5747 2.8700 2.8906 3.0642 3.0662 3.2231 3.2298 3.2792 3.2845 3.5075 3.5095 7.4606 7.4658 7.7913 7.7978 10.0016 10.0221 10.0453 10.0649 10.4224 10.4691 k = 0.1069 0.1852-0.0000 ( 6967 PWs) bands (ev): -10.1874 -10.1874 -10.0455 -10.0455 -9.8608 -9.8608 -9.7002 -9.7002 -3.7439 -3.7438 -3.7398 -3.7396 -3.6728 -3.6722 -3.6684 -3.6679 -3.1278 -3.1273 -3.1253 -3.1246 -2.9975 -2.9971 -2.9922 -2.9918 -2.9466 -2.9464 -2.9390 -2.9387 0.1465 0.1481 0.4182 0.4204 1.9897 1.9911 2.0243 2.0429 2.2828 2.2948 2.4196 2.4894 2.5119 2.5936 2.9015 2.9220 3.0805 3.0818 3.2457 3.2515 3.2995 3.3069 3.5092 3.5113 7.3844 7.3893 7.7896 7.7960 9.9194 9.9342 9.9523 9.9665 10.4787 10.5146 k = 0.1006 0.1743-0.0000 ( 6973 PWs) bands (ev): -10.2015 -10.2015 -10.0577 -10.0576 -9.8652 -9.8652 -9.7013 -9.7013 -3.7465 -3.7465 -3.7427 -3.7426 -3.6770 -3.6764 -3.6735 -3.6730 -3.1330 -3.1325 -3.1300 -3.1294 -2.9974 -2.9970 -2.9928 -2.9924 -2.9496 -2.9495 -2.9417 -2.9415 0.1370 0.1384 0.4439 0.4460 2.0129 2.0144 2.0928 2.1052 2.3544 2.3646 2.4652 2.5260 2.5444 2.6167 2.9325 2.9529 3.0973 3.0986 3.2654 3.2718 3.3210 3.3293 3.5109 3.5129 7.3048 7.3095 7.7853 7.7916 9.8324 9.8435 9.8580 9.8686 10.5427 10.5715 k = 0.0943 0.1634-0.0000 ( 6993 PWs) bands (ev): -10.2151 -10.2150 -10.0693 -10.0693 -9.8694 -9.8694 -9.7025 -9.7024 -3.7492 -3.7492 -3.7457 -3.7456 -3.6811 -3.6806 -3.6781 -3.6777 -3.1383 -3.1378 -3.1346 -3.1341 -2.9972 -2.9968 -2.9932 -2.9928 -2.9525 -2.9524 -2.9443 -2.9441 0.1275 0.1288 0.4688 0.4707 2.0264 2.0284 2.1616 2.1704 2.4252 2.4337 2.5119 2.5564 2.5888 2.6446 2.9630 2.9832 3.1148 3.1165 3.2827 3.2909 3.3432 3.3511 3.5126 3.5147 7.2227 7.2272 7.7785 7.7847 9.7431 9.7516 9.7634 9.7716 10.6131 10.6370 k = 0.0881 0.1525-0.0000 ( 6987 PWs) bands (ev): -10.2279 -10.2279 -10.0804 -10.0804 -9.8733 -9.8733 -9.7036 -9.7036 -3.7518 -3.7518 -3.7487 -3.7486 -3.6850 -3.6846 -3.6822 -3.6819 -3.1434 -3.1431 -3.1391 -3.1386 -2.9967 -2.9964 -2.9933 -2.9930 -2.9551 -2.9550 -2.9466 -2.9465 0.1182 0.1194 0.4925 0.4943 2.0332 2.0350 2.2300 2.2363 2.4946 2.5015 2.5572 2.5854 2.6386 2.6780 2.9931 3.0129 3.1329 3.1357 3.2980 3.3089 3.3651 3.3717 3.5148 3.5167 7.1390 7.1431 7.7692 7.7752 9.6531 9.6595 9.6694 9.6760 10.6889 10.7091 k = 0.0818 0.1416-0.0000 ( 6987 PWs) bands (ev): -10.2401 -10.2401 -10.0910 -10.0909 -9.8771 -9.8771 -9.7046 -9.7046 -3.7544 -3.7544 -3.7517 -3.7516 -3.6888 -3.6885 -3.6858 -3.6855 -3.1485 -3.1481 -3.1435 -3.1429 -2.9963 -2.9960 -2.9934 -2.9932 -2.9574 -2.9574 -2.9487 -2.9486 0.1092 0.1102 0.5150 0.5167 2.0348 2.0362 2.2972 2.3014 2.5615 2.5669 2.5993 2.6146 2.6910 2.7175 3.0227 3.0418 3.1519 3.1561 3.3118 3.3259 3.3862 3.3907 3.5176 3.5192 7.0544 7.0583 7.7577 7.7634 9.5637 9.5683 9.5768 9.5824 10.7691 10.7865 k = 0.0755 0.1307-0.0000 ( 6997 PWs) bands (ev): -10.2516 -10.2516 -10.1009 -10.1009 -9.8807 -9.8807 -9.7057 -9.7057 -3.7571 -3.7570 -3.7547 -3.7546 -3.6926 -3.6923 -3.6890 -3.6887 -3.1535 -3.1531 -3.1476 -3.1471 -2.9958 -2.9955 -2.9934 -2.9932 -2.9596 -2.9595 -2.9506 -2.9506 0.1004 0.1013 0.5362 0.5377 2.0326 2.0337 2.3623 2.3647 2.6208 2.6259 2.6416 2.6471 2.7447 2.7623 3.0516 3.0696 3.1717 3.1778 3.3245 3.3418 3.4060 3.4078 3.5216 3.5226 6.9699 6.9735 7.7441 7.7495 9.4756 9.4787 9.4867 9.4915 10.8527 10.8678 k = 0.0692 0.1198-0.0000 ( 6999 PWs) bands (ev): -10.2622 -10.2622 -10.1102 -10.1102 -9.8841 -9.8841 -9.7067 -9.7067 -3.7596 -3.7596 -3.7576 -3.7575 -3.6960 -3.6958 -3.6917 -3.6914 -3.1582 -3.1579 -3.1516 -3.1511 -2.9952 -2.9950 -2.9934 -2.9932 -2.9615 -2.9614 -2.9523 -2.9523 0.0922 0.0929 0.5559 0.5573 2.0278 2.0287 2.4243 2.4252 2.6595 2.6625 2.6972 2.6981 2.7986 2.8105 3.0796 3.0961 3.1923 3.2005 3.3364 3.3566 3.4229 3.4242 3.5270 3.5270 6.8864 6.8897 7.7288 7.7339 9.3896 9.3916 9.3999 9.4041 10.9385 10.9518 k = 0.0629 0.1089-0.0000 ( 7011 PWs) bands (ev): -10.2721 -10.2721 -10.1188 -10.1188 -9.8872 -9.8872 -9.7077 -9.7077 -3.7621 -3.7620 -3.7604 -3.7604 -3.6991 -3.6990 -3.6942 -3.6939 -3.1626 -3.1624 -3.1553 -3.1549 -2.9947 -2.9945 -2.9933 -2.9932 -2.9632 -2.9631 -2.9538 -2.9538 0.0844 0.0850 0.5741 0.5753 2.0215 2.0221 2.4819 2.4822 2.6881 2.6886 2.7551 2.7561 2.8520 2.8603 3.1061 3.1206 3.2138 3.2238 3.3476 3.3699 3.4362 3.4403 3.5331 3.5341 6.8048 6.8078 7.7123 7.7170 9.3064 9.3078 9.3175 9.3211 11.0254 11.0371 k = 0.0566 0.0980-0.0000 ( 7007 PWs) bands (ev): -10.2811 -10.2811 -10.1267 -10.1267 -9.8900 -9.8900 -9.7085 -9.7085 -3.7643 -3.7643 -3.7631 -3.7631 -3.7019 -3.7018 -3.6963 -3.6961 -3.1667 -3.1665 -3.1587 -3.1584 -2.9942 -2.9940 -2.9932 -2.9931 -2.9646 -2.9645 -2.9551 -2.9551 0.0772 0.0778 0.5907 0.5918 2.0142 2.0147 2.5338 2.5351 2.7118 2.7125 2.8100 2.8124 2.9044 2.9102 3.1303 3.1426 3.2358 3.2470 3.3586 3.3813 3.4483 3.4542 3.5411 3.5430 6.7263 6.7290 7.6951 7.6993 9.2271 9.2280 9.2402 9.2431 11.1118 11.1221 k = 0.0503 0.0871-0.0000 ( 7003 PWs) bands (ev): -10.2893 -10.2893 -10.1338 -10.1338 -9.8926 -9.8926 -9.7094 -9.7094 -3.7665 -3.7665 -3.7656 -3.7656 -3.7044 -3.7043 -3.6982 -3.6980 -3.1705 -3.1704 -3.1618 -3.1615 -2.9937 -2.9936 -2.9930 -2.9929 -2.9659 -2.9658 -2.9562 -2.9562 0.0706 0.0711 0.6056 0.6066 2.0066 2.0070 2.5802 2.5821 2.7326 2.7339 2.8616 2.8650 2.9554 2.9594 3.1515 3.1615 3.2577 3.2690 3.3697 3.3907 3.4594 3.4657 3.5512 3.5535 6.6517 6.6541 7.6776 7.6814 9.1528 9.1534 9.1685 9.1709 11.1959 11.2049 k = 0.0440 0.0763-0.0000 ( 7011 PWs) bands (ev): -10.2965 -10.2965 -10.1402 -10.1402 -9.8949 -9.8949 -9.7101 -9.7101 -3.7685 -3.7685 -3.7679 -3.7679 -3.7065 -3.7064 -3.6998 -3.6997 -3.1740 -3.1738 -3.1646 -3.1644 -2.9932 -2.9932 -2.9929 -2.9928 -2.9670 -2.9669 -2.9572 -2.9571 0.0647 0.0651 0.6189 0.6197 1.9991 1.9995 2.6207 2.6230 2.7512 2.7526 2.9097 2.9135 3.0047 3.0075 3.1690 3.1767 3.2786 3.2884 3.3811 3.3983 3.4698 3.4750 3.5632 3.5654 6.5823 6.5844 7.6605 7.6638 9.0844 9.0848 9.1031 9.1050 11.2755 11.2832 k = 0.0377 0.0654-0.0000 ( 7009 PWs) bands (ev): -10.3029 -10.3029 -10.1458 -10.1458 -9.8969 -9.8969 -9.7108 -9.7108 -3.7702 -3.7702 -3.7699 -3.7699 -3.7084 -3.7083 -3.7012 -3.7011 -3.1770 -3.1769 -3.1671 -3.1669 -2.9929 -2.9929 -2.9927 -2.9926 -2.9679 -2.9678 -2.9580 -2.9579 0.0595 0.0599 0.6304 0.6311 1.9921 1.9924 2.6551 2.6573 2.7673 2.7686 2.9538 2.9575 3.0519 3.0537 3.1821 3.1877 3.2970 3.3041 3.3930 3.4050 3.4790 3.4824 3.5767 3.5783 6.5191 6.5209 7.6443 7.6472 9.0230 9.0233 9.0447 9.0461 11.3481 11.3504 k = 0.0314 0.0545-0.0000 ( 7001 PWs) bands (ev): -10.3083 -10.3083 -10.1505 -10.1505 -9.8986 -9.8986 -9.7113 -9.7113 -3.7718 -3.7718 -3.7717 -3.7717 -3.7099 -3.7098 -3.7023 -3.7022 -3.1796 -3.1795 -3.1692 -3.1690 -2.9927 -2.9927 -2.9924 -2.9924 -2.9686 -2.9685 -2.9586 -2.9585 0.0551 0.0554 0.6402 0.6407 1.9858 1.9860 2.6833 2.6854 2.7810 2.7821 2.9939 2.9970 3.0962 3.0974 3.1906 3.1944 3.3110 3.3151 3.4054 3.4121 3.4865 3.4880 3.5906 3.5916 6.4632 6.4647 7.6297 7.6320 8.9693 8.9695 8.9939 8.9950 11.3694 11.3795 k = 0.0252 0.0436-0.0000 ( 6999 PWs) bands (ev): -10.3127 -10.3127 -10.1545 -10.1545 -9.9000 -9.9000 -9.7118 -9.7118 -3.7733 -3.7733 -3.7730 -3.7730 -3.7111 -3.7111 -3.7032 -3.7031 -3.1818 -3.1817 -3.1709 -3.1708 -2.9926 -2.9926 -2.9921 -2.9921 -2.9692 -2.9691 -2.9591 -2.9590 0.0514 0.0517 0.6482 0.6486 1.9804 1.9806 2.7058 2.7075 2.7922 2.7930 3.0296 3.0318 3.1365 3.1373 3.1951 3.1974 3.3191 3.3208 3.4178 3.4207 3.4918 3.4921 3.6040 3.6045 6.4157 6.4168 7.6169 7.6188 8.9242 8.9244 8.9514 8.9522 11.3851 11.3931 k = 0.0189 0.0327-0.0000 ( 6993 PWs) bands (ev): -10.3162 -10.3162 -10.1575 -10.1575 -9.9011 -9.9011 -9.7122 -9.7122 -3.7745 -3.7745 -3.7740 -3.7740 -3.7121 -3.7120 -3.7039 -3.7039 -3.1835 -3.1834 -3.1723 -3.1721 -2.9925 -2.9925 -2.9919 -2.9919 -2.9696 -2.9695 -2.9594 -2.9594 0.0486 0.0487 0.6545 0.6548 1.9761 1.9762 2.7228 2.7241 2.8009 2.8015 3.0606 3.0619 3.1694 3.1700 3.1982 3.1993 3.3209 3.3213 3.4295 3.4304 3.4946 3.4948 3.6157 3.6160 6.3775 6.3784 7.6066 7.6080 8.8884 8.8885 8.9177 8.9183 11.3958 11.4016 k = 0.0126 0.0218-0.0000 ( 6989 PWs) bands (ev): -10.3187 -10.3187 -10.1597 -10.1597 -9.9019 -9.9019 -9.7124 -9.7124 -3.7753 -3.7753 -3.7747 -3.7747 -3.7127 -3.7127 -3.7044 -3.7044 -3.1847 -3.1846 -3.1732 -3.1731 -2.9924 -2.9924 -2.9917 -2.9917 -2.9699 -2.9698 -2.9597 -2.9596 0.0465 0.0466 0.6589 0.6592 1.9729 1.9730 2.7346 2.7355 2.8072 2.8075 3.0861 3.0866 3.1816 3.1819 3.2129 3.2131 3.3173 3.3174 3.4394 3.4397 3.4957 3.4959 3.6249 3.6250 6.3497 6.3503 7.5990 7.6000 8.8624 8.8624 8.8933 8.8937 11.4026 11.4063 k = 0.0063 0.0109-0.0000 ( 6987 PWs) bands (ev): -10.3201 -10.3201 -10.1610 -10.1610 -9.9024 -9.9024 -9.7126 -9.7126 -3.7758 -3.7758 -3.7751 -3.7751 -3.7131 -3.7131 -3.7047 -3.7047 -3.1854 -3.1854 -3.1738 -3.1737 -2.9924 -2.9924 -2.9916 -2.9916 -2.9700 -2.9700 -2.9598 -2.9598 0.0453 0.0454 0.6617 0.6618 1.9710 1.9711 2.7417 2.7422 2.8110 2.8111 3.1042 3.1043 3.1788 3.1791 3.2326 3.2326 3.3113 3.3113 3.4463 3.4465 3.4958 3.4959 3.6308 3.6308 6.3327 6.3330 7.5944 7.5949 8.8466 8.8466 8.8786 8.8788 11.4064 11.4082 k = 0.0000 0.0000 0.0000 ( 6983 PWs) bands (ev): -10.3206 -10.3206 -10.1615 -10.1615 -9.9026 -9.9026 -9.7126 -9.7126 -3.7760 -3.7760 -3.7753 -3.7753 -3.7133 -3.7133 -3.7048 -3.7048 -3.1857 -3.1857 -3.1740 -3.1740 -2.9924 -2.9924 -2.9916 -2.9916 -2.9700 -2.9700 -2.9598 -2.9598 0.0449 0.0449 0.6626 0.6626 1.9704 1.9704 2.7442 2.7442 2.8123 2.8123 3.1111 3.1111 3.1766 3.1766 3.2409 3.2409 3.3079 3.3079 3.4489 3.4489 3.4957 3.4957 3.6328 3.6328 6.3271 6.3271 7.5931 7.5931 8.8413 8.8413 8.8737 8.8737 11.4081 11.4081 k = 0.0000 0.0000 0.0000 ( 6983 PWs) bands (ev): -10.3206 -10.3206 -10.1615 -10.1615 -9.9026 -9.9026 -9.7126 -9.7126 -3.7760 -3.7760 -3.7753 -3.7753 -3.7133 -3.7133 -3.7048 -3.7048 -3.1857 -3.1857 -3.1740 -3.1740 -2.9924 -2.9924 -2.9916 -2.9916 -2.9700 -2.9700 -2.9598 -2.9598 0.0449 0.0449 0.6626 0.6626 1.9704 1.9704 2.7442 2.7442 2.8123 2.8123 3.1111 3.1111 3.1766 3.1766 3.2409 3.2409 3.3079 3.3079 3.4489 3.4489 3.4957 3.4957 3.6328 3.6328 6.3271 6.3271 7.5931 7.5931 8.8413 8.8413 8.8737 8.8737 11.4081 11.4081 k = 0.0000 0.0000 0.0122 ( 6977 PWs) bands (ev): -10.3202 -10.3202 -10.1625 -10.1625 -9.9015 -9.9015 -9.7131 -9.7131 -3.7760 -3.7760 -3.7753 -3.7753 -3.7132 -3.7132 -3.7048 -3.7048 -3.1856 -3.1856 -3.1740 -3.1740 -2.9923 -2.9923 -2.9916 -2.9916 -2.9700 -2.9700 -2.9599 -2.9599 0.0465 0.0465 0.6588 0.6588 1.9756 1.9756 2.7431 2.7431 2.8130 2.8130 3.1115 3.1115 3.1771 3.1771 3.2402 3.2402 3.3075 3.3075 3.4447 3.4447 3.4965 3.4965 3.6324 3.6324 6.3322 6.3322 7.5881 7.5881 8.8421 8.8421 8.8739 8.8739 11.4086 11.4086 k = 0.0000 0.0000 0.0244 ( 6995 PWs) bands (ev): -10.3190 -10.3190 -10.1654 -10.1654 -9.8982 -9.8982 -9.7147 -9.7147 -3.7760 -3.7760 -3.7753 -3.7753 -3.7132 -3.7132 -3.7049 -3.7049 -3.1855 -3.1855 -3.1741 -3.1741 -2.9924 -2.9924 -2.9916 -2.9916 -2.9700 -2.9700 -2.9600 -2.9600 0.0511 0.0511 0.6475 0.6475 1.9911 1.9911 2.7396 2.7396 2.8153 2.8153 3.1125 3.1125 3.1784 3.1784 3.2381 3.2381 3.3065 3.3065 3.4321 3.4321 3.4987 3.4987 3.6312 3.6312 6.3474 6.3474 7.5735 7.5735 8.8445 8.8445 8.8745 8.8745 11.4100 11.4100 k = 0.0000 0.0000 0.0366 ( 7007 PWs) bands (ev): -10.3170 -10.3170 -10.1701 -10.1701 -9.8930 -9.8930 -9.7173 -9.7173 -3.7760 -3.7760 -3.7753 -3.7753 -3.7131 -3.7131 -3.7051 -3.7051 -3.1854 -3.1854 -3.1744 -3.1744 -2.9924 -2.9924 -2.9916 -2.9916 -2.9698 -2.9698 -2.9602 -2.9602 0.0587 0.0587 0.6295 0.6295 2.0161 2.0161 2.7339 2.7339 2.8191 2.8191 3.1143 3.1143 3.1805 3.1805 3.2346 3.2346 3.3047 3.3047 3.4118 3.4118 3.5022 3.5022 3.6294 3.6294 6.3722 6.3722 7.5496 7.5496 8.8483 8.8483 8.8755 8.8755 11.4123 11.4123 k = 0.0000 0.0000 0.0488 ( 7025 PWs) bands (ev): -10.3143 -10.3143 -10.1762 -10.1762 -9.8861 -9.8861 -9.7208 -9.7208 -3.7760 -3.7760 -3.7754 -3.7754 -3.7129 -3.7129 -3.7055 -3.7055 -3.1851 -3.1851 -3.1747 -3.1747 -2.9924 -2.9924 -2.9918 -2.9918 -2.9696 -2.9696 -2.9605 -2.9605 0.0694 0.0694 0.6056 0.6056 2.0495 2.0495 2.7258 2.7258 2.8246 2.8246 3.1167 3.1167 3.1830 3.1830 3.2300 3.2300 3.3023 3.3023 3.3845 3.3845 3.5070 3.5070 3.6268 3.6268 6.4060 6.4060 7.5169 7.5169 8.8530 8.8530 8.8768 8.8768 11.4154 11.4154 k = 0.0000 0.0000 0.0610 ( 7031 PWs) bands (ev): -10.3107 -10.3107 -10.1836 -10.1836 -9.8777 -9.8777 -9.7253 -9.7253 -3.7760 -3.7760 -3.7754 -3.7754 -3.7127 -3.7127 -3.7057 -3.7057 -3.1847 -3.1847 -3.1750 -3.1750 -2.9924 -2.9924 -2.9919 -2.9919 -2.9693 -2.9693 -2.9609 -2.9609 0.0831 0.0831 0.5770 0.5770 2.0901 2.0901 2.7152 2.7152 2.8318 2.8318 3.1198 3.1198 3.1855 3.1855 3.2244 3.2244 3.2992 3.2992 3.3518 3.3518 3.5129 3.5129 3.6235 3.6235 6.4482 6.4482 7.4762 7.4762 8.8584 8.8584 8.8785 8.8785 11.4193 11.4193 k = 0.0000 0.0000 0.0732 ( 7031 PWs) bands (ev): -10.3064 -10.3064 -10.1919 -10.1919 -9.8683 -9.8683 -9.7308 -9.7308 -3.7760 -3.7760 -3.7754 -3.7754 -3.7123 -3.7123 -3.7060 -3.7060 -3.1843 -3.1843 -3.1754 -3.1754 -2.9924 -2.9924 -2.9919 -2.9919 -2.9689 -2.9689 -2.9613 -2.9613 0.0996 0.0996 0.5446 0.5446 2.1364 2.1364 2.7019 2.7019 2.8410 2.8410 3.1235 3.1235 3.1869 3.1869 3.2180 3.2180 3.2956 3.2956 3.3158 3.3158 3.5195 3.5195 3.6195 3.6195 6.4976 6.4976 7.4283 7.4283 8.8640 8.8640 8.8803 8.8803 11.4241 11.4241 k = 0.0000 0.0000 0.0854 ( 7019 PWs) bands (ev): -10.3013 -10.3013 -10.2009 -10.2009 -9.8580 -9.8580 -9.7372 -9.7372 -3.7760 -3.7760 -3.7755 -3.7755 -3.7119 -3.7119 -3.7063 -3.7063 -3.1837 -3.1837 -3.1759 -3.1759 -2.9923 -2.9923 -2.9919 -2.9919 -2.9684 -2.9684 -2.9617 -2.9617 0.1191 0.1191 0.5096 0.5096 2.1871 2.1871 2.6857 2.6857 2.8523 2.8523 3.1278 3.1278 3.1843 3.1843 3.2110 3.2110 3.2805 3.2805 3.2913 3.2913 3.5268 3.5268 3.6148 3.6148 6.5534 6.5534 7.3742 7.3742 8.8695 8.8695 8.8822 8.8822 11.4294 11.4294 k = 0.0000 0.0000 0.0976 ( 7026 PWs) bands (ev): -10.2956 -10.2956 -10.2103 -10.2103 -9.8472 -9.8472 -9.7444 -9.7444 -3.7759 -3.7759 -3.7755 -3.7755 -3.7115 -3.7115 -3.7068 -3.7068 -3.1831 -3.1831 -3.1765 -3.1765 -2.9923 -2.9923 -2.9919 -2.9919 -2.9680 -2.9680 -2.9622 -2.9622 0.1412 0.1412 0.4729 0.4729 2.2407 2.2407 2.6662 2.6662 2.8660 2.8660 3.1328 3.1328 3.1707 3.1707 3.2036 3.2036 3.2541 3.2541 3.2865 3.2865 3.5346 3.5346 3.6095 3.6095 6.6146 6.6146 7.3146 7.3146 8.8746 8.8746 8.8840 8.8840 11.4354 11.4354 k = 0.0000 0.0000 0.1098 ( 7026 PWs) bands (ev): -10.2891 -10.2891 -10.2199 -10.2199 -9.8360 -9.8360 -9.7524 -9.7524 -3.7759 -3.7759 -3.7755 -3.7755 -3.7110 -3.7110 -3.7072 -3.7072 -3.1825 -3.1825 -3.1770 -3.1770 -2.9922 -2.9922 -2.9919 -2.9919 -2.9675 -2.9675 -2.9627 -2.9627 0.1660 0.1660 0.4353 0.4353 2.2957 2.2957 2.6429 2.6429 2.8826 2.8826 3.1383 3.1383 3.1410 3.1410 3.1959 3.1959 3.2433 3.2433 3.2812 3.2812 3.5427 3.5427 3.6036 3.6036 6.6802 6.6802 7.2506 7.2506 8.8790 8.8790 8.8857 8.8857 11.4419 11.4419 k = 0.0000 0.0000 0.1220 ( 7020 PWs) bands (ev): -10.2821 -10.2821 -10.2296 -10.2296 -9.8246 -9.8246 -9.7612 -9.7612 -3.7758 -3.7758 -3.7756 -3.7756 -3.7105 -3.7105 -3.7076 -3.7076 -3.1818 -3.1818 -3.1777 -3.1777 -2.9922 -2.9922 -2.9920 -2.9920 -2.9669 -2.9669 -2.9633 -2.9633 0.1933 0.1933 0.3975 0.3975 2.3508 2.3508 2.6153 2.6153 2.9023 2.9023 3.1019 3.1019 3.1443 3.1443 3.1881 3.1881 3.2426 3.2426 3.2756 3.2756 3.5509 3.5509 3.5972 3.5972 6.7491 6.7491 7.1830 7.1830 8.8827 8.8827 8.8872 8.8872 11.4488 11.4488 k = 0.0000 0.0000 0.1342 ( 6996 PWs) bands (ev): -10.2744 -10.2744 -10.2392 -10.2392 -9.8133 -9.8133 -9.7706 -9.7706 -3.7757 -3.7757 -3.7756 -3.7756 -3.7099 -3.7099 -3.7080 -3.7080 -3.1811 -3.1811 -3.1783 -3.1783 -2.9920 -2.9920 -2.9919 -2.9919 -2.9662 -2.9662 -2.9638 -2.9638 0.2229 0.2229 0.3601 0.3601 2.4046 2.4046 2.5830 2.5830 2.9258 2.9258 3.0608 3.0608 3.1508 3.1508 3.1802 3.1802 3.2462 3.2462 3.2696 3.2696 3.5592 3.5592 3.5903 3.5903 6.8205 6.8205 7.1126 7.1126 8.8855 8.8855 8.8882 8.8882 11.4561 11.4561 k = 0.0000 0.0000 0.1464 ( 7008 PWs) bands (ev): -10.2663 -10.2663 -10.2485 -10.2485 -9.8021 -9.8021 -9.7806 -9.7806 -3.7757 -3.7757 -3.7756 -3.7756 -3.7095 -3.7095 -3.7085 -3.7085 -3.1804 -3.1804 -3.1790 -3.1790 -2.9920 -2.9920 -2.9920 -2.9920 -2.9657 -2.9657 -2.9644 -2.9644 0.2547 0.2547 0.3236 0.3236 2.4557 2.4557 2.5455 2.5455 2.9534 2.9534 3.0214 3.0214 3.1577 3.1577 3.1725 3.1725 3.2514 3.2514 3.2635 3.2635 3.5673 3.5673 3.5830 3.5830 6.8934 6.8934 7.0403 7.0403 8.8873 8.8873 8.8886 8.8886 11.4635 11.4635 k = 0.0000 0.0000 0.1586 ( 7002 PWs) bands (ev): -10.2576 -10.2576 -10.2576 -10.2576 -9.7912 -9.7912 -9.7912 -9.7912 -3.7757 -3.7757 -3.7757 -3.7757 -3.7090 -3.7090 -3.7090 -3.7090 -3.1797 -3.1797 -3.1797 -3.1797 -2.9920 -2.9920 -2.9920 -2.9920 -2.9650 -2.9650 -2.9650 -2.9650 0.2883 0.2883 0.2883 0.2883 2.5029 2.5029 2.5029 2.5029 2.9853 2.9853 2.9853 2.9853 3.1650 3.1650 3.1650 3.1650 3.2573 3.2573 3.2573 3.2573 3.5753 3.5753 3.5753 3.5753 6.9670 6.9670 6.9670 6.9670 8.8884 8.8884 8.8884 8.8884 11.4710 11.4710 k = 0.0000 0.0000 0.1586 ( 7002 PWs) bands (ev): -10.2576 -10.2576 -10.2576 -10.2576 -9.7912 -9.7912 -9.7912 -9.7912 -3.7757 -3.7757 -3.7757 -3.7757 -3.7090 -3.7090 -3.7090 -3.7090 -3.1797 -3.1797 -3.1797 -3.1797 -2.9920 -2.9920 -2.9920 -2.9920 -2.9650 -2.9650 -2.9650 -2.9650 0.2883 0.2883 0.2883 0.2883 2.5029 2.5029 2.5029 2.5029 2.9853 2.9853 2.9853 2.9853 3.1650 3.1650 3.1650 3.1650 3.2573 3.2573 3.2573 3.2573 3.5753 3.5753 3.5753 3.5753 6.9670 6.9670 6.9670 6.9670 8.8884 8.8884 8.8884 8.8884 11.4710 11.4710 k = 0.0109 0.0063 0.1586 ( 7002 PWs) bands (ev): -10.2571 -10.2571 -10.2571 -10.2571 -9.7910 -9.7910 -9.7910 -9.7910 -3.7755 -3.7755 -3.7755 -3.7755 -3.7089 -3.7089 -3.7089 -3.7089 -3.1794 -3.1794 -3.1794 -3.1794 -2.9920 -2.9920 -2.9920 -2.9920 -2.9650 -2.9650 -2.9650 -2.9650 0.2884 0.2884 0.2884 0.2884 2.5010 2.5010 2.5011 2.5011 2.9839 2.9839 2.9840 2.9840 3.1598 3.1598 3.1598 3.1598 3.2598 3.2598 3.2598 3.2598 3.5730 3.5730 3.5730 3.5730 6.9705 6.9705 6.9705 6.9705 8.8932 8.8932 8.8933 8.8933 11.4687 11.4688 k = 0.0217 0.0126 0.1586 ( 6996 PWs) bands (ev): -10.2557 -10.2557 -10.2557 -10.2557 -9.7907 -9.7907 -9.7907 -9.7907 -3.7750 -3.7750 -3.7750 -3.7750 -3.7085 -3.7085 -3.7085 -3.7085 -3.1788 -3.1788 -3.1788 -3.1788 -2.9921 -2.9921 -2.9921 -2.9921 -2.9648 -2.9648 -2.9648 -2.9648 0.2886 0.2886 0.2886 0.2886 2.4952 2.4952 2.4954 2.4954 2.9796 2.9796 2.9799 2.9799 3.1460 3.1460 3.1461 3.1461 3.2655 3.2655 3.2657 3.2657 3.5662 3.5662 3.5663 3.5663 6.9812 6.9812 6.9812 6.9812 8.9079 8.9079 8.9080 8.9080 11.4612 11.4615 k = 0.0326 0.0188 0.1586 ( 6998 PWs) bands (ev): -10.2534 -10.2534 -10.2534 -10.2534 -9.7902 -9.7902 -9.7902 -9.7902 -3.7742 -3.7742 -3.7742 -3.7742 -3.7079 -3.7079 -3.7079 -3.7079 -3.1777 -3.1777 -3.1777 -3.1777 -2.9922 -2.9922 -2.9922 -2.9922 -2.9645 -2.9645 -2.9645 -2.9645 0.2889 0.2889 0.2889 0.2889 2.4855 2.4855 2.4859 2.4859 2.9723 2.9723 2.9728 2.9728 3.1264 3.1264 3.1268 3.1268 3.2718 3.2718 3.2720 3.2720 3.5556 3.5556 3.5556 3.5556 6.9986 6.9986 6.9986 6.9986 8.9321 8.9321 8.9322 8.9322 11.4466 11.4473 k = 0.0435 0.0251 0.1586 ( 7000 PWs) bands (ev): -10.2501 -10.2501 -10.2501 -10.2501 -9.7895 -9.7895 -9.7895 -9.7895 -3.7732 -3.7732 -3.7732 -3.7732 -3.7071 -3.7071 -3.7070 -3.7070 -3.1762 -3.1762 -3.1761 -3.1761 -2.9923 -2.9923 -2.9923 -2.9923 -2.9641 -2.9641 -2.9641 -2.9641 0.2893 0.2893 0.2893 0.2893 2.4719 2.4719 2.4724 2.4724 2.9615 2.9615 2.9624 2.9624 3.1033 3.1033 3.1042 3.1042 3.2764 3.2764 3.2769 3.2769 3.5418 3.5418 3.5418 3.5418 7.0224 7.0224 7.0224 7.0224 8.9654 8.9654 8.9656 8.9656 11.4233 11.4237 k = 0.0543 0.0314 0.1586 ( 7008 PWs) bands (ev): -10.2460 -10.2460 -10.2460 -10.2460 -9.7886 -9.7886 -9.7886 -9.7886 -3.7718 -3.7718 -3.7718 -3.7718 -3.7060 -3.7060 -3.7060 -3.7060 -3.1742 -3.1742 -3.1742 -3.1742 -2.9926 -2.9926 -2.9926 -2.9926 -2.9636 -2.9636 -2.9635 -2.9635 0.2898 0.2898 0.2898 0.2898 2.4542 2.4542 2.4548 2.4548 2.9469 2.9469 2.9482 2.9482 3.0784 3.0784 3.0798 3.0798 3.2780 3.2780 3.2789 3.2789 3.5260 3.5260 3.5261 3.5261 7.0521 7.0521 7.0521 7.0521 9.0075 9.0075 9.0077 9.0077 11.3886 11.3900 k = 0.0652 0.0377 0.1586 ( 7008 PWs) bands (ev): -10.2409 -10.2409 -10.2409 -10.2409 -9.7874 -9.7874 -9.7874 -9.7874 -3.7702 -3.7702 -3.7702 -3.7702 -3.7047 -3.7047 -3.7046 -3.7046 -3.1719 -3.1719 -3.1718 -3.1718 -2.9928 -2.9928 -2.9928 -2.9928 -2.9629 -2.9629 -2.9628 -2.9628 0.2903 0.2903 0.2903 0.2903 2.4324 2.4324 2.4331 2.4331 2.9277 2.9277 2.9296 2.9296 3.0526 3.0526 3.0548 3.0548 3.2760 3.2760 3.2772 3.2772 3.5096 3.5096 3.5098 3.5098 7.0870 7.0870 7.0870 7.0870 9.0575 9.0575 9.0578 9.0578 11.3439 11.3443 k = 0.0761 0.0439 0.1586 ( 7008 PWs) bands (ev): -10.2349 -10.2349 -10.2349 -10.2349 -9.7861 -9.7861 -9.7861 -9.7861 -3.7682 -3.7682 -3.7682 -3.7682 -3.7031 -3.7031 -3.7030 -3.7030 -3.1691 -3.1691 -3.1691 -3.1691 -2.9930 -2.9930 -2.9930 -2.9930 -2.9620 -2.9620 -2.9620 -2.9620 0.2907 0.2907 0.2907 0.2907 2.4063 2.4063 2.4072 2.4072 2.9036 2.9036 2.9061 2.9061 3.0269 3.0269 3.0298 3.0298 3.2697 3.2697 3.2715 3.2715 3.4939 3.4939 3.4943 3.4943 7.1264 7.1264 7.1264 7.1264 9.1149 9.1149 9.1151 9.1151 11.2908 11.2911 k = 0.0870 0.0502 0.1586 ( 7016 PWs) bands (ev): -10.2281 -10.2281 -10.2281 -10.2281 -9.7846 -9.7846 -9.7846 -9.7846 -3.7662 -3.7662 -3.7662 -3.7662 -3.7012 -3.7012 -3.7011 -3.7011 -3.1660 -3.1660 -3.1660 -3.1660 -2.9933 -2.9933 -2.9933 -2.9933 -2.9610 -2.9610 -2.9610 -2.9610 0.2910 0.2910 0.2911 0.2911 2.3761 2.3761 2.3771 2.3771 2.8742 2.8742 2.8772 2.8772 3.0015 3.0015 3.0052 3.0052 3.2592 3.2592 3.2615 3.2615 3.4802 3.4802 3.4807 3.4807 7.1694 7.1694 7.1694 7.1694 9.1785 9.1785 9.1787 9.1787 11.2320 11.2322 k = 0.0978 0.0565 0.1586 ( 7008 PWs) bands (ev): -10.2205 -10.2205 -10.2205 -10.2205 -9.7830 -9.7830 -9.7829 -9.7829 -3.7638 -3.7638 -3.7638 -3.7638 -3.6990 -3.6990 -3.6989 -3.6989 -3.1626 -3.1626 -3.1625 -3.1625 -2.9936 -2.9936 -2.9935 -2.9935 -2.9599 -2.9599 -2.9598 -2.9598 0.2912 0.2912 0.2912 0.2912 2.3418 2.3418 2.3428 2.3428 2.8399 2.8399 2.8431 2.8431 2.9764 2.9764 2.9806 2.9806 3.2453 3.2453 3.2481 3.2481 3.4689 3.4689 3.4696 3.4696 7.2152 7.2152 7.2153 7.2153 9.2474 9.2474 9.2474 9.2474 11.1704 11.1704 k = 0.1087 0.0628 0.1586 ( 7004 PWs) bands (ev): -10.2120 -10.2120 -10.2120 -10.2120 -9.7811 -9.7811 -9.7811 -9.7811 -3.7614 -3.7614 -3.7614 -3.7614 -3.6965 -3.6965 -3.6964 -3.6964 -3.1589 -3.1589 -3.1588 -3.1588 -2.9938 -2.9938 -2.9937 -2.9937 -2.9585 -2.9585 -2.9585 -2.9585 0.2910 0.2910 0.2911 0.2911 2.3036 2.3036 2.3046 2.3046 2.8011 2.8011 2.8042 2.8042 2.9508 2.9508 2.9553 2.9553 3.2291 3.2291 3.2324 3.2324 3.4602 3.4602 3.4610 3.4610 7.2629 7.2629 7.2630 7.2630 9.3201 9.3201 9.3202 9.3202 11.1086 11.1086 k = 0.1196 0.0690 0.1586 ( 7010 PWs) bands (ev): -10.2028 -10.2028 -10.2028 -10.2028 -9.7791 -9.7791 -9.7791 -9.7791 -3.7588 -3.7588 -3.7588 -3.7588 -3.6937 -3.6937 -3.6936 -3.6936 -3.1549 -3.1549 -3.1548 -3.1548 -2.9939 -2.9939 -2.9939 -2.9939 -2.9571 -2.9571 -2.9570 -2.9570 0.2905 0.2905 0.2906 0.2906 2.2617 2.2617 2.2627 2.2627 2.7582 2.7582 2.7612 2.7612 2.9244 2.9244 2.9289 2.9289 3.2121 3.2121 3.2158 3.2158 3.4536 3.4536 3.4545 3.4545 7.3116 7.3116 7.3117 7.3117 9.3952 9.3952 9.3954 9.3954 11.0490 11.0490 k = 0.1304 0.0753 0.1586 ( 6998 PWs) bands (ev): -10.1928 -10.1928 -10.1928 -10.1928 -9.7770 -9.7770 -9.7770 -9.7770 -3.7562 -3.7562 -3.7562 -3.7562 -3.6905 -3.6905 -3.6904 -3.6904 -3.1507 -3.1507 -3.1506 -3.1506 -2.9939 -2.9939 -2.9939 -2.9939 -2.9554 -2.9554 -2.9554 -2.9554 0.2896 0.2896 0.2896 0.2896 2.2163 2.2163 2.2173 2.2173 2.7119 2.7119 2.7145 2.7145 2.8966 2.8966 2.9010 2.9010 3.1956 3.1956 3.1995 3.1995 3.4486 3.4486 3.4496 3.4496 7.3603 7.3603 7.3605 7.3605 9.4709 9.4709 9.4714 9.4714 10.9943 10.9943 k = 0.1413 0.0816 0.1586 ( 6992 PWs) bands (ev): -10.1821 -10.1821 -10.1821 -10.1821 -9.7747 -9.7747 -9.7747 -9.7747 -3.7535 -3.7535 -3.7535 -3.7535 -3.6870 -3.6870 -3.6869 -3.6869 -3.1463 -3.1463 -3.1462 -3.1462 -2.9938 -2.9938 -2.9938 -2.9938 -2.9536 -2.9536 -2.9535 -2.9535 0.2880 0.2880 0.2881 0.2881 2.1680 2.1680 2.1689 2.1689 2.6626 2.6626 2.6647 2.6647 2.8675 2.8675 2.8716 2.8716 3.1804 3.1804 3.1845 3.1845 3.4447 3.4447 3.4457 3.4457 7.4081 7.4081 7.4083 7.4083 9.5450 9.5450 9.5458 9.5458 10.9470 10.9470 k = 0.1522 0.0879 0.1586 ( 6992 PWs) bands (ev): -10.1708 -10.1708 -10.1708 -10.1708 -9.7724 -9.7724 -9.7724 -9.7724 -3.7509 -3.7509 -3.7508 -3.7508 -3.6831 -3.6831 -3.6831 -3.6831 -3.1418 -3.1418 -3.1418 -3.1418 -2.9935 -2.9935 -2.9934 -2.9934 -2.9516 -2.9516 -2.9516 -2.9516 0.2858 0.2858 0.2858 0.2858 2.1169 2.1169 2.1177 2.1177 2.6109 2.6109 2.6125 2.6125 2.8371 2.8371 2.8408 2.8408 3.1670 3.1670 3.1711 3.1711 3.4415 3.4415 3.4426 3.4426 7.4541 7.4541 7.4543 7.4543 9.6151 9.6151 9.6164 9.6164 10.9097 10.9097 k = 0.1630 0.0941 0.1586 ( 6996 PWs) bands (ev): -10.1588 -10.1588 -10.1588 -10.1588 -9.7699 -9.7699 -9.7699 -9.7699 -3.7483 -3.7483 -3.7483 -3.7483 -3.6789 -3.6789 -3.6789 -3.6789 -3.1374 -3.1374 -3.1373 -3.1373 -2.9928 -2.9928 -2.9928 -2.9928 -2.9496 -2.9496 -2.9495 -2.9495 0.2828 0.2828 0.2828 0.2828 2.0635 2.0635 2.0642 2.0642 2.5575 2.5575 2.5585 2.5585 2.8057 2.8057 2.8089 2.8089 3.1555 3.1555 3.1597 3.1597 3.4388 3.4388 3.4399 3.4399 7.4974 7.4974 7.4976 7.4976 9.6784 9.6784 9.6803 9.6803 10.8853 10.8853 k = 0.1739 0.1004 0.1586 ( 6998 PWs) bands (ev): -10.1462 -10.1462 -10.1462 -10.1462 -9.7673 -9.7673 -9.7673 -9.7673 -3.7457 -3.7457 -3.7457 -3.7457 -3.6744 -3.6744 -3.6743 -3.6743 -3.1330 -3.1330 -3.1329 -3.1329 -2.9918 -2.9918 -2.9918 -2.9918 -2.9474 -2.9474 -2.9474 -2.9474 0.2788 0.2788 0.2789 0.2789 2.0080 2.0080 2.0086 2.0086 2.5030 2.5030 2.5035 2.5035 2.7735 2.7735 2.7763 2.7763 3.1457 3.1457 3.1499 3.1499 3.4363 3.4363 3.4375 3.4375 7.5371 7.5371 7.5374 7.5374 9.7322 9.7322 9.7349 9.7349 10.8760 10.8760 k = 0.1848 0.1067 0.1586 ( 6996 PWs) bands (ev): -10.1331 -10.1331 -10.1331 -10.1331 -9.7647 -9.7647 -9.7647 -9.7647 -3.7433 -3.7433 -3.7433 -3.7433 -3.6694 -3.6694 -3.6693 -3.6693 -3.1287 -3.1287 -3.1286 -3.1286 -2.9904 -2.9904 -2.9903 -2.9903 -2.9451 -2.9451 -2.9451 -2.9451 0.2738 0.2738 0.2739 0.2739 1.9508 1.9508 1.9512 1.9512 2.4482 2.4482 2.4483 2.4483 2.7409 2.7409 2.7433 2.7433 3.1376 3.1376 3.1417 3.1417 3.4340 3.4340 3.4351 3.4351 7.5727 7.5727 7.5729 7.5729 9.7746 9.7746 9.7780 9.7780 10.8829 10.8829 k = 0.1957 0.1130 0.1586 ( 6990 PWs) bands (ev): -10.1195 -10.1195 -10.1195 -10.1195 -9.7620 -9.7620 -9.7620 -9.7620 -3.7410 -3.7410 -3.7410 -3.7410 -3.6641 -3.6641 -3.6640 -3.6640 -3.1247 -3.1247 -3.1246 -3.1246 -2.9884 -2.9884 -2.9883 -2.9883 -2.9427 -2.9427 -2.9426 -2.9426 0.2677 0.2677 0.2678 0.2678 1.8920 1.8920 1.8923 1.8923 2.3936 2.3936 2.3940 2.3940 2.7081 2.7081 2.7101 2.7101 3.1306 3.1306 3.1347 3.1347 3.4317 3.4317 3.4329 3.4329 7.6034 7.6034 7.6036 7.6036 9.8044 9.8044 9.8086 9.8086 10.9069 10.9069 k = 0.2065 0.1192 0.1586 ( 6986 PWs) bands (ev): -10.1054 -10.1054 -10.1054 -10.1054 -9.7592 -9.7592 -9.7592 -9.7592 -3.7389 -3.7389 -3.7389 -3.7389 -3.6585 -3.6585 -3.6584 -3.6584 -3.1209 -3.1209 -3.1209 -3.1209 -2.9858 -2.9858 -2.9857 -2.9857 -2.9402 -2.9402 -2.9401 -2.9401 0.2604 0.2604 0.2604 0.2604 1.8319 1.8319 1.8321 1.8321 2.3402 2.3402 2.3410 2.3410 2.6753 2.6753 2.6769 2.6769 3.1247 3.1247 3.1288 3.1288 3.4294 3.4294 3.4306 3.4306 7.6286 7.6286 7.6289 7.6289 9.8223 9.8223 9.8272 9.8272 10.9470 10.9470 k = 0.2174 0.1255 0.1586 ( 6994 PWs) bands (ev): -10.0910 -10.0910 -10.0910 -10.0910 -9.7565 -9.7565 -9.7565 -9.7565 -3.7369 -3.7369 -3.7369 -3.7369 -3.6526 -3.6526 -3.6525 -3.6525 -3.1176 -3.1176 -3.1175 -3.1175 -2.9825 -2.9825 -2.9825 -2.9825 -2.9376 -2.9376 -2.9376 -2.9376 0.2518 0.2518 0.2518 0.2518 1.7707 1.7707 1.7707 1.7707 2.2888 2.2888 2.2900 2.2900 2.6426 2.6426 2.6439 2.6439 3.1196 3.1196 3.1236 3.1236 3.4271 3.4271 3.4283 3.4283 7.6482 7.6482 7.6484 7.6484 9.8300 9.8300 9.8353 9.8353 11.0001 11.0001 k = 0.2283 0.1318 0.1586 ( 6996 PWs) bands (ev): -10.0763 -10.0763 -10.0763 -10.0763 -9.7537 -9.7537 -9.7537 -9.7537 -3.7351 -3.7351 -3.7351 -3.7351 -3.6465 -3.6465 -3.6464 -3.6464 -3.1146 -3.1146 -3.1146 -3.1146 -2.9786 -2.9786 -2.9785 -2.9785 -2.9350 -2.9350 -2.9350 -2.9350 0.2418 0.2418 0.2419 0.2419 1.7083 1.7083 1.7084 1.7084 2.2402 2.2402 2.2417 2.2417 2.6102 2.6102 2.6113 2.6113 3.1150 3.1150 3.1189 3.1189 3.4248 3.4248 3.4260 3.4260 7.6618 7.6618 7.6619 7.6619 9.8296 9.8296 9.8354 9.8354 11.0627 11.0628 k = 0.2391 0.1381 0.1586 ( 6990 PWs) bands (ev): -10.0612 -10.0612 -10.0612 -10.0612 -9.7510 -9.7510 -9.7510 -9.7510 -3.7334 -3.7334 -3.7334 -3.7334 -3.6402 -3.6402 -3.6401 -3.6401 -3.1122 -3.1122 -3.1121 -3.1121 -2.9739 -2.9739 -2.9738 -2.9738 -2.9323 -2.9323 -2.9323 -2.9323 0.2306 0.2306 0.2306 0.2306 1.6451 1.6451 1.6454 1.6454 2.1947 2.1947 2.1965 2.1965 2.5783 2.5783 2.5791 2.5791 3.1108 3.1108 3.1146 3.1146 3.4224 3.4224 3.4236 3.4236 7.6694 7.6694 7.6695 7.6695 9.8237 9.8237 9.8296 9.8296 11.1308 11.1308 k = 0.2500 0.1443 0.1586 ( 6998 PWs) bands (ev): -10.0460 -10.0460 -10.0460 -10.0460 -9.7483 -9.7483 -9.7482 -9.7482 -3.7320 -3.7320 -3.7320 -3.7320 -3.6337 -3.6337 -3.6336 -3.6336 -3.1102 -3.1102 -3.1101 -3.1101 -2.9686 -2.9686 -2.9685 -2.9685 -2.9297 -2.9297 -2.9296 -2.9296 0.2180 0.2180 0.2180 0.2180 1.5812 1.5812 1.5817 1.5817 2.1528 2.1528 2.1548 2.1548 2.5469 2.5469 2.5475 2.5475 3.1067 3.1067 3.1106 3.1106 3.4199 3.4199 3.4211 3.4211 7.6713 7.6713 7.6713 7.6713 9.8141 9.8141 9.8200 9.8200 11.2004 11.2005 k = 0.2609 0.1506 0.1586 ( 6992 PWs) bands (ev): -10.0307 -10.0307 -10.0306 -10.0306 -9.7456 -9.7456 -9.7456 -9.7456 -3.7306 -3.7306 -3.7306 -3.7306 -3.6270 -3.6270 -3.6269 -3.6269 -3.1086 -3.1086 -3.1086 -3.1086 -2.9626 -2.9626 -2.9624 -2.9624 -2.9269 -2.9269 -2.9269 -2.9269 0.2041 0.2041 0.2041 0.2041 1.5170 1.5170 1.5176 1.5176 2.1148 2.1148 2.1170 2.1170 2.5162 2.5162 2.5167 2.5167 3.1028 3.1028 3.1066 3.1066 3.4173 3.4173 3.4185 3.4185 7.6676 7.6676 7.6677 7.6677 9.8021 9.8021 9.8080 9.8080 11.2680 11.2683 k = 0.2717 0.1569 0.1586 ( 6996 PWs) bands (ev): -10.0152 -10.0152 -10.0152 -10.0152 -9.7430 -9.7430 -9.7430 -9.7430 -3.7295 -3.7295 -3.7295 -3.7295 -3.6203 -3.6203 -3.6202 -3.6202 -3.1075 -3.1075 -3.1075 -3.1075 -2.9559 -2.9559 -2.9558 -2.9558 -2.9242 -2.9242 -2.9241 -2.9241 0.1891 0.1891 0.1891 0.1891 1.4527 1.4527 1.4533 1.4533 2.0807 2.0807 2.0831 2.0831 2.4864 2.4864 2.4867 2.4867 3.0988 3.0988 3.1025 3.1025 3.4146 3.4146 3.4158 3.4158 7.6588 7.6588 7.6590 7.6590 9.7889 9.7889 9.7946 9.7946 11.3303 11.3303 k = 0.2826 0.1632 0.1586 ( 6998 PWs) bands (ev): -9.9997 -9.9997 -9.9997 -9.9997 -9.7405 -9.7405 -9.7405 -9.7405 -3.7284 -3.7284 -3.7284 -3.7284 -3.6137 -3.6137 -3.6136 -3.6136 -3.1068 -3.1068 -3.1068 -3.1068 -2.9489 -2.9489 -2.9487 -2.9487 -2.9214 -2.9214 -2.9213 -2.9213 0.1730 0.1730 0.1730 0.1730 1.3885 1.3885 1.3892 1.3892 2.0507 2.0507 2.0531 2.0531 2.4575 2.4575 2.4577 2.4577 3.0947 3.0947 3.0984 3.0984 3.4119 3.4119 3.4131 3.4131 7.6456 7.6456 7.6459 7.6459 9.7749 9.7749 9.7804 9.7804 11.3845 11.3845 k = 0.2935 0.1694 0.1586 ( 7002 PWs) bands (ev): -9.9843 -9.9843 -9.9843 -9.9843 -9.7381 -9.7381 -9.7381 -9.7381 -3.7276 -3.7276 -3.7276 -3.7276 -3.6070 -3.6070 -3.6069 -3.6069 -3.1064 -3.1064 -3.1064 -3.1064 -2.9414 -2.9414 -2.9412 -2.9412 -2.9185 -2.9185 -2.9183 -2.9183 0.1560 0.1560 0.1560 0.1560 1.3248 1.3248 1.3255 1.3255 2.0245 2.0245 2.0271 2.0271 2.4297 2.4297 2.4299 2.4299 3.0904 3.0904 3.0941 3.0941 3.4091 3.4091 3.4103 3.4103 7.6285 7.6285 7.6289 7.6289 9.7605 9.7605 9.7657 9.7657 11.4287 11.4287 k = 0.3043 0.1757 0.1586 ( 6986 PWs) bands (ev): -9.9690 -9.9690 -9.9690 -9.9690 -9.7359 -9.7359 -9.7359 -9.7359 -3.7268 -3.7268 -3.7268 -3.7268 -3.6004 -3.6004 -3.6003 -3.6003 -3.1062 -3.1062 -3.1062 -3.1062 -2.9338 -2.9338 -2.9335 -2.9335 -2.9153 -2.9153 -2.9151 -2.9151 0.1383 0.1383 0.1383 0.1383 1.2619 1.2619 1.2626 1.2626 2.0021 2.0021 2.0047 2.0047 2.4032 2.4032 2.4032 2.4032 3.0859 3.0859 3.0895 3.0895 3.4062 3.4062 3.4074 3.4074 7.6082 7.6082 7.6087 7.6087 9.7459 9.7459 9.7507 9.7507 11.4613 11.4615 k = 0.3152 0.1820 0.1586 ( 6976 PWs) bands (ev): -9.9539 -9.9539 -9.9539 -9.9539 -9.7338 -9.7338 -9.7338 -9.7338 -3.7261 -3.7261 -3.7261 -3.7261 -3.5939 -3.5939 -3.5938 -3.5938 -3.1063 -3.1063 -3.1062 -3.1062 -2.9265 -2.9265 -2.9261 -2.9261 -2.9116 -2.9116 -2.9113 -2.9113 0.1201 0.1201 0.1201 0.1201 1.2001 1.2001 1.2008 1.2008 1.9832 1.9832 1.9858 1.9858 2.3780 2.3780 2.3780 2.3780 3.0812 3.0812 3.0847 3.0847 3.4032 3.4032 3.4044 3.4044 7.5853 7.5853 7.5859 7.5859 9.7312 9.7312 9.7357 9.7357 11.4819 11.4820 k = 0.3261 0.1883 0.1586 ( 6972 PWs) bands (ev): -9.9390 -9.9390 -9.9390 -9.9390 -9.7319 -9.7319 -9.7318 -9.7318 -3.7256 -3.7256 -3.7256 -3.7256 -3.5877 -3.5877 -3.5876 -3.5876 -3.1065 -3.1065 -3.1064 -3.1064 -2.9202 -2.9202 -2.9198 -2.9198 -2.9069 -2.9069 -2.9065 -2.9065 0.1016 0.1016 0.1017 0.1017 1.1397 1.1397 1.1404 1.1404 1.9674 1.9674 1.9700 1.9700 2.3543 2.3543 2.3543 2.3543 3.0762 3.0762 3.0797 3.0797 3.4002 3.4002 3.4013 3.4013 7.5607 7.5607 7.5613 7.5613 9.7165 9.7165 9.7205 9.7205 11.4910 11.4913 k = 0.3370 0.1945 0.1586 ( 6948 PWs) bands (ev): -9.9244 -9.9244 -9.9244 -9.9244 -9.7301 -9.7301 -9.7301 -9.7301 -3.7251 -3.7251 -3.7251 -3.7251 -3.5816 -3.5816 -3.5815 -3.5815 -3.1068 -3.1068 -3.1067 -3.1067 -2.9154 -2.9154 -2.9149 -2.9149 -2.9004 -2.9004 -2.9001 -2.9001 0.0831 0.0831 0.0832 0.0832 1.0811 1.0811 1.0818 1.0818 1.9544 1.9544 1.9569 1.9569 2.3322 2.3322 2.3323 2.3323 3.0710 3.0710 3.0743 3.0743 3.3971 3.3971 3.3982 3.3982 7.5347 7.5347 7.5355 7.5355 9.7018 9.7018 9.7054 9.7054 11.4900 11.4902 k = 0.3478 0.2008 0.1586 ( 6942 PWs) bands (ev): -9.9102 -9.9102 -9.9102 -9.9102 -9.7286 -9.7286 -9.7286 -9.7286 -3.7248 -3.7248 -3.7248 -3.7248 -3.5758 -3.5758 -3.5757 -3.5757 -3.1072 -3.1072 -3.1071 -3.1071 -2.9118 -2.9118 -2.9115 -2.9115 -2.8928 -2.8928 -2.8926 -2.8926 0.0648 0.0648 0.0649 0.0649 1.0245 1.0245 1.0252 1.0252 1.9439 1.9439 1.9463 1.9463 2.3119 2.3119 2.3120 2.3120 3.0655 3.0655 3.0687 3.0687 3.3940 3.3940 3.3951 3.3951 7.5082 7.5082 7.5090 7.5090 9.6872 9.6872 9.6904 9.6904 11.4808 11.4812 k = 0.3587 0.2071 0.1586 ( 6932 PWs) bands (ev): -9.8965 -9.8965 -9.8965 -9.8965 -9.7274 -9.7274 -9.7273 -9.7273 -3.7245 -3.7245 -3.7245 -3.7245 -3.5703 -3.5703 -3.5702 -3.5702 -3.1076 -3.1076 -3.1075 -3.1075 -2.9090 -2.9090 -2.9087 -2.9087 -2.8847 -2.8847 -2.8845 -2.8845 0.0468 0.0468 0.0469 0.0469 0.9703 0.9703 0.9710 0.9710 1.9354 1.9354 1.9377 1.9377 2.2934 2.2934 2.2935 2.2935 3.0598 3.0598 3.0629 3.0629 3.3909 3.3909 3.3919 3.3919 7.4815 7.4815 7.4823 7.4823 9.6728 9.6728 9.6756 9.6756 11.4653 11.4681 k = 0.3696 0.2134 0.1586 ( 6940 PWs) bands (ev): -9.8832 -9.8832 -9.8832 -9.8832 -9.7263 -9.7263 -9.7263 -9.7263 -3.7244 -3.7244 -3.7244 -3.7244 -3.5652 -3.5652 -3.5651 -3.5651 -3.1081 -3.1081 -3.1080 -3.1080 -2.9067 -2.9067 -2.9065 -2.9065 -2.8764 -2.8764 -2.8762 -2.8762 0.0295 0.0295 0.0296 0.0296 0.9188 0.9188 0.9194 0.9194 1.9286 1.9286 1.9308 1.9308 2.2769 2.2769 2.2771 2.2771 3.0539 3.0539 3.0569 3.0569 3.3877 3.3877 3.3887 3.3887 7.4551 7.4551 7.4560 7.4560 9.6586 9.6586 9.6611 9.6611 11.4453 11.4472 k = 0.3804 0.2196 0.1586 ( 6958 PWs) bands (ev): -9.8705 -9.8705 -9.8705 -9.8705 -9.7256 -9.7256 -9.7256 -9.7256 -3.7244 -3.7244 -3.7244 -3.7244 -3.5605 -3.5605 -3.5605 -3.5605 -3.1085 -3.1085 -3.1085 -3.1085 -2.9047 -2.9047 -2.9045 -2.9045 -2.8683 -2.8683 -2.8682 -2.8682 0.0129 0.0129 0.0131 0.0131 0.8701 0.8701 0.8707 0.8707 1.9231 1.9231 1.9252 1.9252 2.2624 2.2624 2.2626 2.2626 3.0480 3.0480 3.0508 3.0508 3.3847 3.3847 3.3856 3.3856 7.4295 7.4295 7.4304 7.4304 9.6449 9.6449 9.6470 9.6470 11.4231 11.4248 k = 0.3913 0.2259 0.1586 ( 6962 PWs) bands (ev): -9.8584 -9.8584 -9.8584 -9.8584 -9.7251 -9.7251 -9.7251 -9.7251 -3.7244 -3.7244 -3.7244 -3.7244 -3.5562 -3.5562 -3.5561 -3.5561 -3.1090 -3.1090 -3.1089 -3.1089 -2.9029 -2.9029 -2.9027 -2.9027 -2.8604 -2.8604 -2.8603 -2.8603 -0.0026 -0.0026 -0.0025 -0.0025 0.8247 0.8247 0.8253 0.8253 1.9187 1.9187 1.9207 1.9207 2.2500 2.2500 2.2501 2.2501 3.0420 3.0420 3.0447 3.0447 3.3817 3.3817 3.3826 3.3826 7.4051 7.4051 7.4060 7.4060 9.6318 9.6318 9.6335 9.6335 11.3999 11.4008 k = 0.4022 0.2322 0.1586 ( 6954 PWs) bands (ev): -9.8470 -9.8470 -9.8470 -9.8470 -9.7249 -9.7249 -9.7249 -9.7249 -3.7244 -3.7244 -3.7243 -3.7243 -3.5522 -3.5522 -3.5521 -3.5521 -3.1093 -3.1093 -3.1093 -3.1093 -2.9013 -2.9013 -2.9011 -2.9011 -2.8529 -2.8529 -2.8528 -2.8528 -0.0170 -0.0170 -0.0169 -0.0169 0.7827 0.7827 0.7832 0.7832 1.9151 1.9151 1.9169 1.9169 2.2396 2.2396 2.2397 2.2397 3.0361 3.0361 3.0386 3.0386 3.3788 3.3788 3.3797 3.3797 7.3822 7.3822 7.3830 7.3830 9.6193 9.6193 9.6208 9.6208 11.3764 11.3773 k = 0.4130 0.2385 0.1586 ( 6950 PWs) bands (ev): -9.8364 -9.8364 -9.8364 -9.8364 -9.7250 -9.7250 -9.7250 -9.7250 -3.7244 -3.7244 -3.7244 -3.7244 -3.5486 -3.5486 -3.5485 -3.5485 -3.1096 -3.1096 -3.1096 -3.1096 -2.8998 -2.8998 -2.8997 -2.8997 -2.8459 -2.8459 -2.8458 -2.8458 -0.0302 -0.0302 -0.0301 -0.0301 0.7444 0.7444 0.7448 0.7448 1.9120 1.9120 1.9136 1.9136 2.2311 2.2311 2.2311 2.2311 3.0304 3.0304 3.0327 3.0327 3.3762 3.3762 3.3769 3.3769 7.3610 7.3610 7.3618 7.3618 9.6077 9.6077 9.6089 9.6089 11.3531 11.3545 k = 0.4239 0.2447 0.1586 ( 6942 PWs) bands (ev): -9.8265 -9.8265 -9.8265 -9.8265 -9.7254 -9.7254 -9.7254 -9.7254 -3.7244 -3.7244 -3.7244 -3.7244 -3.5454 -3.5454 -3.5454 -3.5454 -3.1098 -3.1098 -3.1098 -3.1098 -2.8985 -2.8985 -2.8984 -2.8984 -2.8394 -2.8394 -2.8394 -2.8394 -0.0420 -0.0420 -0.0419 -0.0419 0.7099 0.7099 0.7104 0.7104 1.9093 1.9093 1.9107 1.9107 2.2243 2.2243 2.2243 2.2243 3.0250 3.0250 3.0271 3.0271 3.3737 3.3737 3.3744 3.3744 7.3419 7.3419 7.3426 7.3426 9.5971 9.5971 9.5981 9.5981 11.3320 11.3341 k = 0.4348 0.2510 0.1586 ( 6934 PWs) bands (ev): -9.8176 -9.8176 -9.8176 -9.8176 -9.7261 -9.7261 -9.7260 -9.7260 -3.7245 -3.7245 -3.7245 -3.7245 -3.5427 -3.5427 -3.5427 -3.5427 -3.1100 -3.1100 -3.1100 -3.1100 -2.8974 -2.8974 -2.8973 -2.8973 -2.8337 -2.8337 -2.8336 -2.8336 -0.0524 -0.0524 -0.0523 -0.0523 0.6796 0.6796 0.6800 0.6800 1.9070 1.9070 1.9082 1.9082 2.2191 2.2191 2.2191 2.2191 3.0200 3.0200 3.0218 3.0218 3.3715 3.3715 3.3721 3.3721 7.3249 7.3249 7.3256 7.3256 9.5876 9.5876 9.5884 9.5884 11.3132 11.3144 k = 0.4457 0.2573 0.1586 ( 6930 PWs) bands (ev): -9.8096 -9.8096 -9.8096 -9.8096 -9.7269 -9.7269 -9.7269 -9.7269 -3.7245 -3.7245 -3.7245 -3.7245 -3.5404 -3.5404 -3.5404 -3.5404 -3.1102 -3.1102 -3.1102 -3.1102 -2.8965 -2.8965 -2.8964 -2.8964 -2.8286 -2.8286 -2.8286 -2.8286 -0.0613 -0.0613 -0.0612 -0.0612 0.6536 0.6536 0.6539 0.6539 1.9049 1.9049 1.9059 1.9059 2.2153 2.2153 2.2153 2.2153 3.0155 3.0155 3.0171 3.0171 3.3695 3.3695 3.3700 3.3700 7.3103 7.3103 7.3109 7.3109 9.5794 9.5794 9.5800 9.5800 11.2969 11.2973 k = 0.4565 0.2636 0.1586 ( 6932 PWs) bands (ev): -9.8028 -9.8028 -9.8028 -9.8028 -9.7279 -9.7279 -9.7279 -9.7279 -3.7246 -3.7246 -3.7246 -3.7246 -3.5385 -3.5385 -3.5385 -3.5385 -3.1103 -3.1103 -3.1103 -3.1103 -2.8957 -2.8957 -2.8957 -2.8957 -2.8245 -2.8245 -2.8244 -2.8244 -0.0685 -0.0685 -0.0685 -0.0685 0.6321 0.6321 0.6324 0.6324 1.9032 1.9032 1.9040 1.9040 2.2126 2.2126 2.2126 2.2126 3.0117 3.0117 3.0130 3.0130 3.3679 3.3679 3.3683 3.3683 7.2982 7.2982 7.2987 7.2987 9.5725 9.5725 9.5730 9.5730 11.2820 11.2829 k = 0.4674 0.2698 0.1586 ( 6924 PWs) bands (ev): -9.7972 -9.7972 -9.7972 -9.7972 -9.7289 -9.7289 -9.7289 -9.7289 -3.7247 -3.7247 -3.7246 -3.7246 -3.5370 -3.5370 -3.5370 -3.5370 -3.1104 -3.1104 -3.1104 -3.1104 -2.8951 -2.8951 -2.8951 -2.8951 -2.8211 -2.8211 -2.8211 -2.8211 -0.0742 -0.0742 -0.0742 -0.0742 0.6152 0.6152 0.6154 0.6154 1.9018 1.9018 1.9024 1.9024 2.2107 2.2107 2.2108 2.2108 3.0086 3.0086 3.0096 3.0096 3.3666 3.3666 3.3669 3.3669 7.2887 7.2887 7.2890 7.2890 9.5671 9.5671 9.5674 9.5674 11.2709 11.2712 k = 0.4783 0.2761 0.1586 ( 6924 PWs) bands (ev): -9.7930 -9.7930 -9.7930 -9.7930 -9.7298 -9.7298 -9.7298 -9.7298 -3.7247 -3.7247 -3.7247 -3.7247 -3.5360 -3.5360 -3.5360 -3.5360 -3.1105 -3.1105 -3.1105 -3.1105 -2.8947 -2.8947 -2.8947 -2.8947 -2.8187 -2.8187 -2.8187 -2.8187 -0.0783 -0.0783 -0.0783 -0.0783 0.6031 0.6031 0.6032 0.6032 1.9008 1.9008 1.9012 1.9012 2.2096 2.2096 2.2096 2.2096 3.0064 3.0064 3.0071 3.0071 3.3657 3.3657 3.3659 3.3659 7.2819 7.2819 7.2821 7.2821 9.5632 9.5632 9.5634 9.5634 11.2631 11.2632 k = 0.4891 0.2824 0.1586 ( 6922 PWs) bands (ev): -9.7903 -9.7903 -9.7903 -9.7903 -9.7304 -9.7304 -9.7304 -9.7304 -3.7247 -3.7247 -3.7247 -3.7247 -3.5354 -3.5354 -3.5354 -3.5354 -3.1105 -3.1105 -3.1105 -3.1105 -2.8944 -2.8944 -2.8944 -2.8944 -2.8172 -2.8172 -2.8172 -2.8172 -0.0807 -0.0807 -0.0807 -0.0807 0.5958 0.5958 0.5958 0.5958 1.9002 1.9002 1.9004 1.9004 2.2090 2.2090 2.2090 2.2090 3.0051 3.0051 3.0055 3.0055 3.3652 3.3652 3.3653 3.3653 7.2778 7.2778 7.2779 7.2779 9.5608 9.5608 9.5609 9.5609 11.2581 11.2583 k = 0.5000 0.2887 0.1586 ( 6924 PWs) bands (ev): -9.7895 -9.7895 -9.7895 -9.7895 -9.7306 -9.7306 -9.7306 -9.7306 -3.7248 -3.7248 -3.7248 -3.7248 -3.5352 -3.5352 -3.5352 -3.5352 -3.1105 -3.1105 -3.1105 -3.1105 -2.8943 -2.8943 -2.8943 -2.8943 -2.8168 -2.8168 -2.8168 -2.8168 -0.0816 -0.0816 -0.0816 -0.0816 0.5933 0.5933 0.5933 0.5933 1.9001 1.9001 1.9001 1.9001 2.2088 2.2088 2.2088 2.2088 3.0048 3.0048 3.0048 3.0048 3.3650 3.3650 3.3650 3.3650 7.2764 7.2764 7.2764 7.2764 9.5601 9.5601 9.5601 9.5601 11.2565 11.2565 k = 0.5000 0.2887 0.1586 ( 6924 PWs) bands (ev): -9.7895 -9.7895 -9.7895 -9.7895 -9.7306 -9.7306 -9.7306 -9.7306 -3.7248 -3.7248 -3.7248 -3.7248 -3.5352 -3.5352 -3.5352 -3.5352 -3.1105 -3.1105 -3.1105 -3.1105 -2.8943 -2.8943 -2.8943 -2.8943 -2.8168 -2.8168 -2.8168 -2.8168 -0.0816 -0.0816 -0.0816 -0.0816 0.5933 0.5933 0.5933 0.5933 1.9001 1.9001 1.9001 1.9001 2.2088 2.2088 2.2088 2.2088 3.0048 3.0048 3.0048 3.0048 3.3650 3.3650 3.3650 3.3650 7.2764 7.2764 7.2764 7.2764 9.5601 9.5601 9.5601 9.5601 11.2565 11.2565 k = 0.4938 0.2994 0.1586 ( 6924 PWs) bands (ev): -9.7894 -9.7894 -9.7892 -9.7892 -9.7306 -9.7306 -9.7305 -9.7305 -3.7246 -3.7246 -3.7244 -3.7244 -3.5353 -3.5353 -3.5352 -3.5352 -3.1102 -3.1102 -3.1102 -3.1102 -2.8944 -2.8944 -2.8944 -2.8944 -2.8170 -2.8170 -2.8169 -2.8169 -0.0814 -0.0814 -0.0811 -0.0811 0.5941 0.5941 0.5948 0.5948 1.8897 1.8897 1.9071 1.9071 2.1981 2.1981 2.2167 2.2167 2.9985 2.9985 3.0086 3.0086 3.3580 3.3580 3.3700 3.3700 7.2788 7.2788 7.2795 7.2795 9.5639 9.5639 9.5654 9.5654 11.2563 11.2586 k = 0.4877 0.3101 0.1586 ( 6912 PWs) bands (ev): -9.7890 -9.7890 -9.7887 -9.7887 -9.7306 -9.7306 -9.7302 -9.7302 -3.7240 -3.7240 -3.7236 -3.7236 -3.5356 -3.5356 -3.5354 -3.5354 -3.1094 -3.1094 -3.1093 -3.1093 -2.8946 -2.8946 -2.8946 -2.8946 -2.8176 -2.8176 -2.8174 -2.8174 -0.0807 -0.0807 -0.0800 -0.0800 0.5970 0.5970 0.5984 0.5984 1.8762 1.8762 1.9105 1.9105 2.1852 2.1852 2.2216 2.2216 2.9896 2.9896 3.0098 3.0098 3.3492 3.3492 3.3729 3.3729 7.2866 7.2866 7.2879 7.2879 9.5768 9.5768 9.5798 9.5798 11.2572 11.2617 k = 0.4815 0.3208 0.1586 ( 6914 PWs) bands (ev): -9.7883 -9.7883 -9.7879 -9.7879 -9.7304 -9.7304 -9.7299 -9.7299 -3.7229 -3.7229 -3.7224 -3.7224 -3.5361 -3.5361 -3.5358 -3.5358 -3.1080 -3.1080 -3.1079 -3.1079 -2.8950 -2.8950 -2.8949 -2.8949 -2.8187 -2.8187 -2.8183 -2.8183 -0.0793 -0.0793 -0.0783 -0.0783 0.6020 0.6020 0.6041 0.6041 1.8597 1.8597 1.9097 1.9097 2.1704 2.1704 2.2233 2.2233 2.9784 2.9784 3.0083 3.0083 3.3388 3.3388 3.3738 3.3738 7.2996 7.2996 7.3015 7.3015 9.5985 9.5985 9.6030 9.6030 11.2604 11.2605 k = 0.4753 0.3314 0.1586 ( 6918 PWs) bands (ev): -9.7873 -9.7873 -9.7867 -9.7867 -9.7301 -9.7301 -9.7295 -9.7295 -3.7214 -3.7214 -3.7208 -3.7208 -3.5368 -3.5368 -3.5364 -3.5364 -3.1061 -3.1061 -3.1060 -3.1060 -2.8955 -2.8955 -2.8954 -2.8954 -2.8201 -2.8201 -2.8196 -2.8196 -0.0774 -0.0774 -0.0760 -0.0760 0.6092 0.6092 0.6120 0.6120 1.8403 1.8403 1.9042 1.9042 2.1547 2.1547 2.2218 2.2218 2.9648 2.9648 3.0042 3.0042 3.3272 3.3272 3.3728 3.3728 7.3174 7.3174 7.3199 7.3199 9.6286 9.6286 9.6347 9.6347 11.2655 11.2659 k = 0.4691 0.3421 0.1586 ( 6922 PWs) bands (ev): -9.7861 -9.7861 -9.7853 -9.7853 -9.7297 -9.7297 -9.7289 -9.7289 -3.7195 -3.7195 -3.7187 -3.7187 -3.5376 -3.5376 -3.5372 -3.5372 -3.1036 -3.1036 -3.1036 -3.1036 -2.8961 -2.8961 -2.8960 -2.8960 -2.8219 -2.8219 -2.8212 -2.8212 -0.0749 -0.0749 -0.0732 -0.0732 0.6186 0.6186 0.6221 0.6221 1.8180 1.8180 1.8934 1.8934 2.1388 2.1388 2.2171 2.2171 2.9491 2.9491 2.9973 2.9973 3.3149 3.3149 3.3701 3.3701 7.3397 7.3397 7.3427 7.3427 9.6667 9.6667 9.6745 9.6745 11.2718 11.2718 k = 0.4630 0.3528 0.1586 ( 6928 PWs) bands (ev): -9.7845 -9.7845 -9.7836 -9.7836 -9.7293 -9.7293 -9.7283 -9.7283 -3.7172 -3.7172 -3.7162 -3.7162 -3.5387 -3.5387 -3.5381 -3.5381 -3.1007 -3.1007 -3.1006 -3.1006 -2.8969 -2.8969 -2.8967 -2.8967 -2.8240 -2.8240 -2.8233 -2.8233 -0.0718 -0.0718 -0.0699 -0.0699 0.6299 0.6299 0.6342 0.6342 1.7931 1.7931 1.8770 1.8770 2.1230 2.1230 2.2091 2.2091 2.9316 2.9316 2.9881 2.9881 3.3024 3.3024 3.3660 3.3660 7.3660 7.3660 7.3694 7.3694 9.7122 9.7122 9.7218 9.7218 11.2789 11.2789 k = 0.4568 0.3635 0.1586 ( 6928 PWs) bands (ev): -9.7828 -9.7828 -9.7817 -9.7817 -9.7287 -9.7287 -9.7276 -9.7276 -3.7144 -3.7144 -3.7133 -3.7133 -3.5399 -3.5399 -3.5393 -3.5393 -3.0972 -3.0972 -3.0971 -3.0971 -2.8977 -2.8977 -2.8976 -2.8976 -2.8265 -2.8265 -2.8257 -2.8257 -0.0681 -0.0681 -0.0660 -0.0660 0.6434 0.6434 0.6484 0.6484 1.7655 1.7655 1.8549 1.8549 2.1077 2.1077 2.1979 2.1979 2.9127 2.9127 2.9767 2.9767 3.2899 3.2899 3.3605 3.3605 7.3956 7.3956 7.3994 7.3994 9.7643 9.7643 9.7759 9.7759 11.2859 11.2859 k = 0.4506 0.3742 0.1586 ( 6926 PWs) bands (ev): -9.7807 -9.7807 -9.7795 -9.7795 -9.7281 -9.7281 -9.7269 -9.7269 -3.7112 -3.7112 -3.7100 -3.7100 -3.5414 -3.5414 -3.5406 -3.5406 -3.0932 -3.0932 -3.0931 -3.0931 -2.8986 -2.8986 -2.8985 -2.8985 -2.8292 -2.8292 -2.8284 -2.8284 -0.0640 -0.0640 -0.0617 -0.0617 0.6588 0.6588 0.6646 0.6646 1.7356 1.7356 1.8276 1.8276 2.0923 2.0923 2.1834 2.1834 2.8930 2.8930 2.9638 2.9638 3.2776 3.2776 3.3540 3.3540 7.4280 7.4280 7.4320 7.4320 9.8222 9.8222 9.8359 9.8359 11.2918 11.2918 k = 0.4444 0.3849 0.1586 ( 6930 PWs) bands (ev): -9.7785 -9.7785 -9.7771 -9.7771 -9.7274 -9.7274 -9.7261 -9.7261 -3.7076 -3.7076 -3.7063 -3.7063 -3.5430 -3.5430 -3.5422 -3.5422 -3.0887 -3.0887 -3.0886 -3.0886 -2.8997 -2.8997 -2.8995 -2.8995 -2.8323 -2.8323 -2.8314 -2.8314 -0.0594 -0.0594 -0.0570 -0.0570 0.6761 0.6761 0.6828 0.6828 1.7035 1.7035 1.7959 1.7959 2.0764 2.0764 2.1652 2.1652 2.8732 2.8732 2.9500 2.9500 3.2657 3.2657 3.3465 3.3465 7.4623 7.4623 7.4665 7.4665 9.8850 9.8850 9.9010 9.9010 11.2951 11.2951 k = 0.4383 0.3956 0.1586 ( 6924 PWs) bands (ev): -9.7760 -9.7760 -9.7745 -9.7745 -9.7267 -9.7267 -9.7252 -9.7252 -3.7037 -3.7037 -3.7023 -3.7023 -3.5448 -3.5448 -3.5440 -3.5440 -3.0838 -3.0838 -3.0837 -3.0837 -2.9008 -2.9008 -2.9006 -2.9006 -2.8357 -2.8357 -2.8347 -2.8347 -0.0544 -0.0544 -0.0519 -0.0519 0.6953 0.6953 0.7029 0.7029 1.6697 1.6697 1.7606 1.7606 2.0590 2.0590 2.1434 2.1434 2.8543 2.8543 2.9363 2.9363 3.2541 3.2541 3.3382 3.3382 7.4980 7.4980 7.5023 7.5023 9.9516 9.9516 9.9702 9.9702 11.2945 11.2945 k = 0.4321 0.4063 0.1586 ( 6908 PWs) bands (ev): -9.7734 -9.7734 -9.7717 -9.7717 -9.7260 -9.7260 -9.7243 -9.7243 -3.6994 -3.6994 -3.6979 -3.6979 -3.5467 -3.5467 -3.5459 -3.5459 -3.0785 -3.0785 -3.0784 -3.0784 -2.9020 -2.9020 -2.9017 -2.9017 -2.8393 -2.8393 -2.8383 -2.8383 -0.0491 -0.0491 -0.0465 -0.0465 0.7164 0.7164 0.7249 0.7249 1.6346 1.6346 1.7227 1.7227 2.0391 2.0391 2.1177 2.1177 2.8368 2.8368 2.9234 2.9234 3.2426 3.2426 3.3290 3.3290 7.5341 7.5341 7.5385 7.5385 10.0210 10.0210 10.0425 10.0425 11.2886 11.2886 k = 0.4259 0.4170 0.1586 ( 6928 PWs) bands (ev): -9.7706 -9.7706 -9.7688 -9.7688 -9.7252 -9.7252 -9.7234 -9.7234 -3.6949 -3.6949 -3.6933 -3.6933 -3.5490 -3.5490 -3.5481 -3.5481 -3.0729 -3.0729 -3.0728 -3.0728 -2.9034 -2.9034 -2.9030 -2.9030 -2.8432 -2.8432 -2.8422 -2.8422 -0.0434 -0.0434 -0.0408 -0.0408 0.7391 0.7391 0.7486 0.7486 1.5984 1.5984 1.6831 1.6831 2.0162 2.0162 2.0881 2.0881 2.8218 2.8218 2.9123 2.9123 3.2311 3.2311 3.3190 3.3190 7.5701 7.5701 7.5744 7.5744 10.0920 10.0920 10.1169 10.1169 11.2765 11.2765 k = 0.4198 0.4277 0.1586 ( 6932 PWs) bands (ev): -9.7676 -9.7676 -9.7657 -9.7657 -9.7244 -9.7244 -9.7225 -9.7225 -3.6900 -3.6900 -3.6885 -3.6885 -3.5514 -3.5514 -3.5505 -3.5505 -3.0670 -3.0670 -3.0668 -3.0668 -2.9047 -2.9047 -2.9042 -2.9042 -2.8473 -2.8473 -2.8463 -2.8463 -0.0376 -0.0376 -0.0350 -0.0350 0.7634 0.7634 0.7741 0.7741 1.5618 1.5618 1.6427 1.6427 1.9897 1.9897 2.0545 2.0545 2.8098 2.8098 2.9035 2.9035 3.2195 3.2195 3.3082 3.3082 7.6053 7.6053 7.6095 7.6095 10.1635 10.1635 10.1921 10.1921 11.2585 11.2585 k = 0.4136 0.4384 0.1586 ( 6932 PWs) bands (ev): -9.7646 -9.7646 -9.7626 -9.7626 -9.7236 -9.7236 -9.7216 -9.7216 -3.6849 -3.6849 -3.6833 -3.6833 -3.5541 -3.5541 -3.5531 -3.5531 -3.0608 -3.0608 -3.0605 -3.0605 -2.9062 -2.9062 -2.9055 -2.9055 -2.8514 -2.8514 -2.8506 -2.8506 -0.0316 -0.0316 -0.0290 -0.0290 0.7892 0.7892 0.8012 0.8012 1.5252 1.5252 1.6022 1.6022 1.9593 1.9593 2.0171 2.0171 2.8014 2.8014 2.8976 2.8976 3.2074 3.2074 3.2965 3.2965 7.6391 7.6391 7.6431 7.6431 10.2344 10.2344 10.2672 10.2672 11.2354 11.2354 k = 0.4074 0.4491 0.1586 ( 6932 PWs) bands (ev): -9.7615 -9.7615 -9.7594 -9.7594 -9.7229 -9.7229 -9.7207 -9.7207 -3.6796 -3.6796 -3.6780 -3.6780 -3.5569 -3.5569 -3.5559 -3.5559 -3.0544 -3.0544 -3.0540 -3.0540 -2.9076 -2.9076 -2.9067 -2.9067 -2.8558 -2.8558 -2.8550 -2.8550 -0.0256 -0.0256 -0.0231 -0.0231 0.8164 0.8164 0.8298 0.8298 1.4890 1.4890 1.5622 1.5622 1.9250 1.9250 1.9764 1.9764 2.7969 2.7969 2.8949 2.8949 3.1948 3.1948 3.2840 3.2840 7.6709 7.6709 7.6747 7.6747 10.3037 10.3037 10.3410 10.3410 11.2085 11.2085 k = 0.4012 0.4597 0.1586 ( 6944 PWs) bands (ev): -9.7583 -9.7583 -9.7561 -9.7561 -9.7222 -9.7222 -9.7199 -9.7199 -3.6742 -3.6742 -3.6726 -3.6726 -3.5599 -3.5599 -3.5589 -3.5589 -3.0480 -3.0480 -3.0474 -3.0474 -2.9091 -2.9091 -2.9080 -2.9080 -2.8602 -2.8602 -2.8596 -2.8596 -0.0197 -0.0197 -0.0172 -0.0172 0.8448 0.8448 0.8598 0.8598 1.4538 1.4538 1.5235 1.5235 1.8873 1.8873 1.9327 1.9327 2.7962 2.7962 2.8954 2.8954 3.1815 3.1815 3.2706 3.2706 7.7003 7.7003 7.7039 7.7039 10.3703 10.3703 10.4126 10.4126 11.1792 11.1792 k = 0.3951 0.4704 0.1586 ( 6944 PWs) bands (ev): -9.7551 -9.7551 -9.7528 -9.7528 -9.7216 -9.7216 -9.7192 -9.7192 -3.6686 -3.6686 -3.6670 -3.6670 -3.5631 -3.5631 -3.5621 -3.5621 -3.0414 -3.0414 -3.0407 -3.0407 -2.9106 -2.9106 -2.9092 -2.9092 -2.8646 -2.8646 -2.8642 -2.8642 -0.0140 -0.0140 -0.0114 -0.0114 0.8742 0.8742 0.8911 0.8911 1.4199 1.4199 1.4865 1.4865 1.8464 1.8464 1.8867 1.8867 2.7994 2.7994 2.8990 2.8990 3.1674 3.1674 3.2562 3.2562 7.7271 7.7271 7.7303 7.7303 10.4334 10.4334 10.4811 10.4811 11.1488 11.1488 k = 0.3889 0.4811 0.1586 ( 6936 PWs) bands (ev): -9.7519 -9.7519 -9.7495 -9.7495 -9.7211 -9.7211 -9.7187 -9.7187 -3.6629 -3.6629 -3.6613 -3.6613 -3.5665 -3.5665 -3.5655 -3.5655 -3.0348 -3.0348 -3.0340 -3.0340 -2.9120 -2.9120 -2.9103 -2.9103 -2.8690 -2.8690 -2.8688 -2.8688 -0.0086 -0.0086 -0.0059 -0.0059 0.9043 0.9043 0.9235 0.9235 1.3879 1.3879 1.4519 1.4519 1.8033 1.8033 1.8390 1.8390 2.8061 2.8061 2.9057 2.9057 3.1525 3.1525 3.2410 3.2410 7.7508 7.7508 7.7537 7.7537 10.4926 10.4926 10.5458 10.5458 11.1181 11.1181 k = 0.3827 0.4918 0.1586 ( 6948 PWs) bands (ev): -9.7487 -9.7487 -9.7463 -9.7463 -9.7207 -9.7207 -9.7182 -9.7182 -3.6572 -3.6572 -3.6557 -3.6557 -3.5701 -3.5701 -3.5690 -3.5690 -3.0284 -3.0284 -3.0274 -3.0274 -2.9134 -2.9134 -2.9113 -2.9113 -2.8734 -2.8734 -2.8732 -2.8732 -0.0035 -0.0035 -0.0008 -0.0008 0.9349 0.9349 0.9568 0.9568 1.3580 1.3580 1.4199 1.4199 1.7585 1.7585 1.7906 1.7906 2.8160 2.8160 2.9151 2.9151 3.1366 3.1366 3.2248 3.2248 7.7714 7.7714 7.7740 7.7740 10.5472 10.5472 10.6061 10.6061 11.0877 11.0877 k = 0.3765 0.5025 0.1586 ( 6952 PWs) bands (ev): -9.7456 -9.7456 -9.7431 -9.7431 -9.7205 -9.7205 -9.7180 -9.7180 -3.6516 -3.6516 -3.6501 -3.6501 -3.5737 -3.5737 -3.5727 -3.5727 -3.0223 -3.0223 -3.0211 -3.0211 -2.9147 -2.9147 -2.9122 -2.9122 -2.8779 -2.8779 -2.8773 -2.8773 0.0010 0.0010 0.0039 0.0039 0.9656 0.9656 0.9907 0.9907 1.3307 1.3307 1.3912 1.3912 1.7132 1.7132 1.7421 1.7421 2.8287 2.8287 2.9270 2.9270 3.1199 3.1199 3.2077 3.2077 7.7890 7.7890 7.7911 7.7911 10.5973 10.5973 10.6618 10.6618 11.0582 11.0582 k = 0.3704 0.5132 0.1586 ( 6948 PWs) bands (ev): -9.7425 -9.7425 -9.7400 -9.7400 -9.7205 -9.7205 -9.7179 -9.7179 -3.6460 -3.6460 -3.6445 -3.6445 -3.5775 -3.5775 -3.5764 -3.5764 -3.0165 -3.0165 -3.0152 -3.0152 -2.9158 -2.9158 -2.9130 -2.9130 -2.8821 -2.8821 -2.8812 -2.8812 0.0049 0.0049 0.0081 0.0081 0.9957 0.9957 1.0248 1.0248 1.3062 1.3062 1.3660 1.3660 1.6682 1.6682 1.6946 1.6946 2.8440 2.8440 2.9410 2.9410 3.1022 3.1022 3.1896 3.1896 7.8034 7.8034 7.8052 7.8052 10.6427 10.6427 10.7126 10.7126 11.0296 11.0296 k = 0.3642 0.5239 0.1586 ( 6948 PWs) bands (ev): -9.7395 -9.7395 -9.7370 -9.7370 -9.7207 -9.7207 -9.7181 -9.7181 -3.6406 -3.6406 -3.6392 -3.6392 -3.5812 -3.5812 -3.5801 -3.5801 -3.0112 -3.0112 -3.0099 -3.0099 -2.9167 -2.9167 -2.9135 -2.9135 -2.8860 -2.8860 -2.8848 -2.8848 0.0083 0.0083 0.0116 0.0116 1.0247 1.0247 1.0585 1.0585 1.2850 1.2850 1.3445 1.3445 1.6249 1.6249 1.6492 1.6492 2.8613 2.8613 2.9567 2.9567 3.0839 3.0839 3.1707 3.1707 7.8150 7.8150 7.8164 7.8164 10.6836 10.6836 10.7585 10.7585 11.0020 11.0020 k = 0.3580 0.5346 0.1586 ( 6940 PWs) bands (ev): -9.7367 -9.7367 -9.7341 -9.7341 -9.7212 -9.7212 -9.7186 -9.7186 -3.6355 -3.6355 -3.6341 -3.6341 -3.5849 -3.5849 -3.5838 -3.5838 -3.0066 -3.0066 -3.0053 -3.0053 -2.9171 -2.9171 -2.9139 -2.9139 -2.8896 -2.8896 -2.8881 -2.8881 0.0110 0.0110 0.0145 0.0145 1.0517 1.0517 1.0907 1.0907 1.2674 1.2674 1.3267 1.3267 1.5848 1.5848 1.6071 1.6071 2.8804 2.8804 2.9735 2.9735 3.0652 3.0652 3.1510 3.1510 7.8238 7.8238 7.8249 7.8249 10.7202 10.7202 10.7993 10.7993 10.9754 10.9754 k = 0.3519 0.5453 0.1586 ( 6936 PWs) bands (ev): -9.7339 -9.7339 -9.7313 -9.7313 -9.7220 -9.7220 -9.7194 -9.7194 -3.6308 -3.6308 -3.6296 -3.6296 -3.5883 -3.5883 -3.5873 -3.5873 -3.0028 -3.0028 -3.0016 -3.0016 -2.9172 -2.9172 -2.9141 -2.9141 -2.8926 -2.8926 -2.8910 -2.8910 0.0130 0.0130 0.0166 0.0166 1.0755 1.0755 1.1197 1.1197 1.2543 1.2543 1.3122 1.3122 1.5499 1.5499 1.5700 1.5700 2.9008 2.9008 2.9895 2.9895 3.0477 3.0477 3.1306 3.1306 7.8301 7.8301 7.8309 7.8309 10.7525 10.7525 10.8349 10.8349 10.9501 10.9501 k = 0.3457 0.5560 0.1586 ( 6936 PWs) bands (ev): -9.7314 -9.7314 -9.7288 -9.7288 -9.7231 -9.7231 -9.7205 -9.7205 -3.6269 -3.6269 -3.6259 -3.6259 -3.5913 -3.5913 -3.5904 -3.5904 -3.0000 -3.0000 -2.9990 -2.9990 -2.9169 -2.9169 -2.9142 -2.9142 -2.8948 -2.8948 -2.8934 -2.8934 0.0144 0.0144 0.0181 0.0181 1.0949 1.0949 1.1423 1.1423 1.2474 1.2474 1.3000 1.3000 1.5228 1.5228 1.5400 1.5400 2.9223 2.9223 2.9978 2.9978 3.0383 3.0383 3.1096 3.1096 7.8343 7.8343 7.8348 7.8348 10.7802 10.7802 10.8642 10.8642 10.9272 10.9272 k = 0.3395 0.5667 0.1586 ( 6926 PWs) bands (ev): -9.7289 -9.7289 -9.7265 -9.7265 -9.7245 -9.7245 -9.7220 -9.7220 -3.6241 -3.6241 -3.6235 -3.6235 -3.5932 -3.5932 -3.5926 -3.5926 -2.9982 -2.9982 -2.9975 -2.9975 -2.9162 -2.9162 -2.9144 -2.9144 -2.8961 -2.8961 -2.8952 -2.8952 0.0152 0.0152 0.0189 0.0189 1.1082 1.1082 1.1550 1.1550 1.2482 1.2482 1.2893 1.2893 1.5060 1.5060 1.5198 1.5198 2.9443 2.9443 2.9874 2.9874 3.0480 3.0480 3.0883 3.0883 7.8366 7.8366 7.8369 7.8369 10.8014 10.8014 10.8826 10.8826 10.9113 10.9113 k = 0.3333 0.5774 0.1586 ( 6930 PWs) bands (ev): -9.7271 -9.7271 -9.7263 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6230 -3.6230 -3.6227 -3.6227 -3.5939 -3.5939 -3.5935 -3.5935 -2.9975 -2.9975 -2.9971 -2.9971 -2.9156 -2.9156 -2.9147 -2.9147 -2.8964 -2.8964 -2.8960 -2.8960 0.0154 0.0154 0.0191 0.0191 1.1131 1.1131 1.1582 1.1582 1.2513 1.2513 1.2837 1.2837 1.5006 1.5006 1.5124 1.5124 2.9626 2.9626 2.9712 2.9712 3.0668 3.0668 3.0674 3.0674 7.8374 7.8374 7.8375 7.8375 10.8102 10.8102 10.8849 10.8849 10.9092 10.9092 k = 0.3333 0.5774 0.1586 ( 6930 PWs) bands (ev): -9.7271 -9.7271 -9.7263 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6230 -3.6230 -3.6227 -3.6227 -3.5939 -3.5939 -3.5935 -3.5935 -2.9975 -2.9975 -2.9971 -2.9971 -2.9156 -2.9156 -2.9147 -2.9147 -2.8964 -2.8964 -2.8960 -2.8960 0.0154 0.0154 0.0191 0.0191 1.1131 1.1131 1.1582 1.1582 1.2513 1.2513 1.2837 1.2837 1.5006 1.5006 1.5124 1.5124 2.9626 2.9626 2.9712 2.9712 3.0668 3.0668 3.0674 3.0674 7.8374 7.8374 7.8375 7.8375 10.8102 10.8102 10.8849 10.8849 10.9092 10.9092 k = 0.3270 0.5665 0.1586 ( 6928 PWs) bands (ev): -9.7291 -9.7291 -9.7267 -9.7267 -9.7243 -9.7243 -9.7219 -9.7219 -3.6241 -3.6241 -3.6234 -3.6234 -3.5933 -3.5933 -3.5926 -3.5926 -2.9982 -2.9982 -2.9975 -2.9975 -2.9163 -2.9163 -2.9144 -2.9144 -2.8962 -2.8962 -2.8951 -2.8951 0.0152 0.0152 0.0189 0.0189 1.1078 1.1078 1.1560 1.1560 1.2469 1.2469 1.2902 1.2902 1.5061 1.5061 1.5198 1.5198 2.9434 2.9434 2.9880 2.9880 3.0474 3.0474 3.0891 3.0891 7.8367 7.8367 7.8370 7.8370 10.8010 10.8010 10.8855 10.8855 10.9086 10.9086 k = 0.3208 0.5556 0.1586 ( 6932 PWs) bands (ev): -9.7320 -9.7320 -9.7296 -9.7296 -9.7224 -9.7224 -9.7200 -9.7200 -3.6269 -3.6269 -3.6257 -3.6257 -3.5915 -3.5915 -3.5905 -3.5905 -2.9999 -2.9999 -2.9987 -2.9987 -2.9177 -2.9177 -2.9144 -2.9144 -2.8949 -2.8949 -2.8930 -2.8930 0.0146 0.0146 0.0184 0.0184 1.0938 1.0938 1.1485 1.1485 1.2417 1.2417 1.3034 1.3034 1.5224 1.5224 1.5395 1.5395 2.9193 2.9193 2.9974 2.9974 3.0388 3.0388 3.1122 3.1122 7.8351 7.8351 7.8355 7.8355 10.7796 10.7796 10.8737 10.8737 10.9188 10.9188 k = 0.3145 0.5447 0.1586 ( 6936 PWs) bands (ev): -9.7355 -9.7355 -9.7331 -9.7331 -9.7207 -9.7207 -9.7184 -9.7184 -3.6306 -3.6306 -3.6291 -3.6291 -3.5890 -3.5890 -3.5877 -3.5877 -3.0024 -3.0024 -3.0006 -3.0006 -2.9193 -2.9193 -2.9149 -2.9149 -2.8926 -2.8926 -2.8903 -2.8903 0.0137 0.0137 0.0179 0.0179 1.0747 1.0747 1.1342 1.1342 1.2435 1.2435 1.3184 1.3184 1.5483 1.5483 1.5676 1.5676 2.8945 2.8945 2.9847 2.9847 3.0524 3.0524 3.1356 3.1356 7.8328 7.8328 7.8334 7.8334 10.7530 10.7530 10.8512 10.8512 10.9372 10.9372 k = 0.3082 0.5338 0.1586 ( 6934 PWs) bands (ev): -9.7395 -9.7395 -9.7373 -9.7373 -9.7192 -9.7192 -9.7169 -9.7169 -3.6348 -3.6348 -3.6331 -3.6331 -3.5863 -3.5863 -3.5848 -3.5848 -3.0054 -3.0054 -3.0032 -3.0032 -2.9211 -2.9211 -2.9159 -2.9159 -2.8896 -2.8896 -2.8871 -2.8871 0.0127 0.0127 0.0174 0.0174 1.0536 1.0536 1.1151 1.1151 1.2526 1.2526 1.3350 1.3350 1.5812 1.5812 1.6016 1.6016 2.8693 2.8693 2.9639 2.9639 3.0740 3.0740 3.1592 3.1592 7.8302 7.8302 7.8309 7.8309 10.7241 10.7241 10.8246 10.8246 10.9577 10.9577 k = 0.3019 0.5229 0.1586 ( 6942 PWs) bands (ev): -9.7442 -9.7442 -9.7420 -9.7420 -9.7179 -9.7179 -9.7157 -9.7157 -3.6394 -3.6394 -3.6374 -3.6374 -3.5836 -3.5836 -3.5819 -3.5819 -3.0089 -3.0089 -3.0063 -3.0063 -2.9229 -2.9229 -2.9173 -2.9173 -2.8864 -2.8864 -2.8839 -2.8839 0.0117 0.0117 0.0172 0.0172 1.0324 1.0324 1.0946 1.0946 1.2669 1.2669 1.3537 1.3537 1.6189 1.6189 1.6396 1.6396 2.8441 2.8441 2.9416 2.9416 3.0971 3.0971 3.1827 3.1827 7.8273 7.8273 7.8282 7.8282 10.6939 10.6939 10.7961 10.7961 10.9789 10.9789 k = 0.2956 0.5120 0.1586 ( 6950 PWs) bands (ev): -9.7495 -9.7495 -9.7474 -9.7474 -9.7168 -9.7168 -9.7147 -9.7147 -3.6441 -3.6441 -3.6420 -3.6420 -3.5811 -3.5811 -3.5793 -3.5793 -3.0127 -3.0127 -3.0097 -3.0097 -2.9249 -2.9249 -2.9188 -2.9188 -2.8832 -2.8832 -2.8807 -2.8807 0.0110 0.0110 0.0174 0.0174 1.0125 1.0125 1.0749 1.0749 1.2850 1.2850 1.3747 1.3747 1.6599 1.6599 1.6803 1.6803 2.8192 2.8192 2.9193 2.9193 3.1203 3.1203 3.2058 3.2058 7.8245 7.8245 7.8255 7.8255 10.6632 10.6632 10.7665 10.7665 11.0002 11.0002 k = 0.2893 0.5011 0.1586 ( 6946 PWs) bands (ev): -9.7554 -9.7554 -9.7534 -9.7534 -9.7159 -9.7159 -9.7139 -9.7139 -3.6489 -3.6489 -3.6466 -3.6466 -3.5789 -3.5789 -3.5769 -3.5769 -3.0167 -3.0167 -3.0134 -3.0134 -2.9269 -2.9269 -2.9205 -2.9205 -2.8801 -2.8801 -2.8776 -2.8776 0.0107 0.0107 0.0180 0.0180 0.9950 0.9950 1.0574 1.0574 1.3060 1.3060 1.3981 1.3981 1.7030 1.7030 1.7231 1.7231 2.7948 2.7948 2.8975 2.8975 3.1430 3.1430 3.2284 3.2284 7.8219 7.8219 7.8231 7.8231 10.6323 10.6323 10.7366 10.7366 11.0217 11.0217 k = 0.2830 0.4902 0.1586 ( 6946 PWs) bands (ev): -9.7620 -9.7620 -9.7601 -9.7601 -9.7152 -9.7152 -9.7133 -9.7133 -3.6537 -3.6537 -3.6512 -3.6512 -3.5770 -3.5770 -3.5748 -3.5748 -3.0207 -3.0207 -3.0172 -3.0172 -2.9290 -2.9290 -2.9223 -2.9223 -2.8773 -2.8773 -2.8749 -2.8749 0.0110 0.0110 0.0193 0.0193 0.9805 0.9805 1.0429 1.0429 1.3293 1.3293 1.4236 1.4236 1.7475 1.7475 1.7673 1.7673 2.7711 2.7711 2.8766 2.8766 3.1651 3.1651 3.2504 3.2504 7.8196 7.8196 7.8209 7.8209 10.6015 10.6015 10.7066 10.7066 11.0431 11.0431 k = 0.2767 0.4793 0.1586 ( 6946 PWs) bands (ev): -9.7693 -9.7693 -9.7675 -9.7675 -9.7147 -9.7147 -9.7129 -9.7129 -3.6585 -3.6585 -3.6558 -3.6558 -3.5755 -3.5755 -3.5732 -3.5732 -3.0249 -3.0249 -3.0212 -3.0212 -2.9312 -2.9312 -2.9243 -2.9243 -2.8749 -2.8749 -2.8724 -2.8724 0.0120 0.0120 0.0213 0.0213 0.9695 0.9695 1.0320 1.0320 1.3545 1.3545 1.4511 1.4511 1.7928 1.7928 1.8124 1.8124 2.7486 2.7486 2.8569 2.8569 3.1863 3.1863 3.2715 3.2715 7.8176 7.8176 7.8192 7.8192 10.5711 10.5711 10.6770 10.6770 11.0646 11.0646 k = 0.2704 0.4684 0.1586 ( 6938 PWs) bands (ev): -9.7772 -9.7772 -9.7756 -9.7756 -9.7145 -9.7145 -9.7128 -9.7128 -3.6631 -3.6631 -3.6602 -3.6602 -3.5745 -3.5745 -3.5720 -3.5720 -3.0290 -3.0290 -3.0251 -3.0251 -2.9335 -2.9335 -2.9264 -2.9264 -2.8729 -2.8729 -2.8704 -2.8704 0.0139 0.0139 0.0240 0.0240 0.9625 0.9625 1.0249 1.0249 1.3811 1.3811 1.4801 1.4801 1.8387 1.8387 1.8582 1.8582 2.7275 2.7275 2.8387 2.8387 3.2066 3.2066 3.2918 3.2918 7.8162 7.8162 7.8180 7.8180 10.5414 10.5414 10.6480 10.6480 11.0860 11.0860 k = 0.2642 0.4575 0.1586 ( 6938 PWs) bands (ev): -9.7859 -9.7859 -9.7843 -9.7843 -9.7145 -9.7145 -9.7129 -9.7129 -3.6677 -3.6677 -3.6646 -3.6646 -3.5739 -3.5739 -3.5712 -3.5712 -3.0330 -3.0330 -3.0291 -3.0291 -2.9359 -2.9359 -2.9287 -2.9287 -2.8714 -2.8714 -2.8689 -2.8689 0.0169 0.0169 0.0275 0.0275 0.9597 0.9597 1.0220 1.0220 1.4087 1.4087 1.5103 1.5103 1.8848 1.8848 1.9044 1.9044 2.7082 2.7082 2.8223 2.8223 3.2257 3.2257 3.3110 3.3110 7.8152 7.8152 7.8174 7.8174 10.5125 10.5125 10.6200 10.6200 11.1072 11.1072 k = 0.2579 0.4466 0.1586 ( 6948 PWs) bands (ev): -9.7952 -9.7952 -9.7938 -9.7938 -9.7147 -9.7147 -9.7132 -9.7132 -3.6722 -3.6722 -3.6689 -3.6689 -3.5738 -3.5738 -3.5710 -3.5710 -3.0370 -3.0370 -3.0331 -3.0331 -2.9386 -2.9386 -2.9311 -2.9311 -2.8706 -2.8706 -2.8679 -2.8679 0.0208 0.0208 0.0320 0.0320 0.9613 0.9613 1.0234 1.0234 1.4371 1.4371 1.5414 1.5414 1.9308 1.9308 1.9508 1.9508 2.6910 2.6910 2.8080 2.8080 3.2436 3.2436 3.3290 3.3290 7.8148 7.8148 7.8173 7.8173 10.4847 10.4847 10.5930 10.5930 11.1281 11.1281 k = 0.2516 0.4357 0.1586 ( 6938 PWs) bands (ev): -9.8052 -9.8052 -9.8038 -9.8038 -9.7151 -9.7151 -9.7137 -9.7137 -3.6764 -3.6764 -3.6729 -3.6729 -3.5741 -3.5741 -3.5712 -3.5712 -3.0409 -3.0409 -3.0370 -3.0370 -2.9413 -2.9413 -2.9336 -2.9336 -2.8703 -2.8703 -2.8674 -2.8674 0.0259 0.0259 0.0373 0.0373 0.9675 0.9675 1.0292 1.0292 1.4658 1.4658 1.5729 1.5729 1.9765 1.9765 1.9972 1.9972 2.6763 2.6763 2.7961 2.7961 3.2601 3.2601 3.3459 3.3459 7.8149 7.8149 7.8178 7.8178 10.4580 10.4580 10.5673 10.5673 11.1485 11.1485 k = 0.2453 0.4248 0.1586 ( 6946 PWs) bands (ev): -9.8159 -9.8159 -9.8146 -9.8146 -9.7157 -9.7157 -9.7144 -9.7144 -3.6806 -3.6806 -3.6769 -3.6769 -3.5750 -3.5750 -3.5718 -3.5718 -3.0447 -3.0447 -3.0409 -3.0409 -2.9442 -2.9442 -2.9364 -2.9364 -2.8705 -2.8705 -2.8675 -2.8675 0.0321 0.0321 0.0436 0.0436 0.9784 0.9784 1.0393 1.0393 1.4945 1.4945 1.6044 1.6044 2.0218 2.0218 2.0436 2.0436 2.6646 2.6646 2.7868 2.7868 3.2753 3.2753 3.3614 3.3614 7.8154 7.8154 7.8188 7.8188 10.4326 10.4326 10.5429 10.5429 11.1681 11.1681 k = 0.2390 0.4139 0.1586 ( 6946 PWs) bands (ev): -9.8271 -9.8271 -9.8260 -9.8260 -9.7165 -9.7165 -9.7153 -9.7153 -3.6846 -3.6846 -3.6807 -3.6807 -3.5763 -3.5763 -3.5730 -3.5730 -3.0483 -3.0483 -3.0447 -3.0447 -2.9472 -2.9472 -2.9392 -2.9392 -2.8714 -2.8714 -2.8680 -2.8680 0.0395 0.0395 0.0509 0.0509 0.9938 0.9938 1.0539 1.0539 1.5231 1.5231 1.6356 1.6356 2.0665 2.0665 2.0898 2.0898 2.6561 2.6561 2.7804 2.7804 3.2891 3.2891 3.3757 3.3757 7.8164 7.8164 7.8203 7.8203 10.4086 10.4086 10.5201 10.5201 11.1864 11.1864 k = 0.2327 0.4031 0.1586 ( 6956 PWs) bands (ev): -9.8390 -9.8390 -9.8379 -9.8379 -9.7176 -9.7176 -9.7164 -9.7164 -3.6884 -3.6884 -3.6843 -3.6843 -3.5781 -3.5781 -3.5746 -3.5746 -3.0519 -3.0519 -3.0484 -3.0484 -2.9503 -2.9503 -2.9422 -2.9422 -2.8728 -2.8728 -2.8692 -2.8692 0.0481 0.0481 0.0590 0.0590 1.0139 1.0139 1.0729 1.0729 1.5512 1.5512 1.6661 1.6661 2.1105 2.1105 2.1358 2.1358 2.6513 2.6513 2.7769 2.7769 3.3015 3.3015 3.3885 3.3885 7.8177 7.8177 7.8222 7.8222 10.3860 10.3860 10.4988 10.4988 11.2028 11.2028 k = 0.2264 0.3922 0.1586 ( 6950 PWs) bands (ev): -9.8515 -9.8515 -9.8505 -9.8505 -9.7188 -9.7188 -9.7177 -9.7177 -3.6920 -3.6920 -3.6878 -3.6878 -3.5803 -3.5803 -3.5767 -3.5767 -3.0552 -3.0552 -3.0520 -3.0520 -2.9535 -2.9535 -2.9453 -2.9453 -2.8746 -2.8746 -2.8707 -2.8707 0.0577 0.0577 0.0681 0.0681 1.0386 1.0386 1.0962 1.0962 1.5787 1.5787 1.6956 1.6956 2.1537 2.1537 2.1815 2.1815 2.6503 2.6503 2.7765 2.7765 3.3124 3.3124 3.3999 3.3999 7.8192 7.8192 7.8244 7.8244 10.3649 10.3649 10.4791 10.4791 11.2164 11.2164 k = 0.2201 0.3813 0.1586 ( 6958 PWs) bands (ev): -9.8645 -9.8645 -9.8636 -9.8636 -9.7202 -9.7202 -9.7192 -9.7192 -3.6955 -3.6955 -3.6911 -3.6911 -3.5831 -3.5831 -3.5793 -3.5793 -3.0585 -3.0585 -3.0555 -3.0555 -2.9568 -2.9568 -2.9486 -2.9486 -2.8770 -2.8770 -2.8728 -2.8728 0.0684 0.0684 0.0781 0.0781 1.0677 1.0677 1.1237 1.1237 1.6056 1.6056 1.7239 1.7239 2.1960 2.1960 2.2269 2.2269 2.6534 2.6534 2.7793 2.7793 3.3218 3.3218 3.4100 3.4100 7.8208 7.8208 7.8268 7.8268 10.3452 10.3452 10.4609 10.4609 11.2259 11.2259 k = 0.2138 0.3704 0.1586 ( 6964 PWs) bands (ev): -9.8780 -9.8780 -9.8772 -9.8772 -9.7218 -9.7218 -9.7209 -9.7209 -3.6989 -3.6989 -3.6943 -3.6943 -3.5862 -3.5862 -3.5823 -3.5823 -3.0617 -3.0617 -3.0590 -3.0590 -2.9602 -2.9602 -2.9519 -2.9519 -2.8798 -2.8798 -2.8753 -2.8753 0.0800 0.0800 0.0889 0.0889 1.1010 1.1010 1.1552 1.1552 1.6319 1.6319 1.7509 1.7509 2.2374 2.2374 2.2719 2.2719 2.6607 2.6607 2.7851 2.7851 3.3298 3.3298 3.4186 3.4186 7.8224 7.8224 7.8292 7.8292 10.3270 10.3270 10.4443 10.4443 11.2298 11.2298 k = 0.2075 0.3595 0.1586 ( 6976 PWs) bands (ev): -9.8919 -9.8919 -9.8912 -9.8912 -9.7235 -9.7235 -9.7227 -9.7227 -3.7021 -3.7021 -3.6974 -3.6974 -3.5898 -3.5898 -3.5857 -3.5857 -3.0648 -3.0648 -3.0624 -3.0624 -2.9637 -2.9637 -2.9554 -2.9554 -2.8829 -2.8829 -2.8782 -2.8782 0.0924 0.0924 0.1004 0.1004 1.1385 1.1385 1.1905 1.1905 1.6578 1.6578 1.7765 1.7765 2.2778 2.2778 2.3166 2.3166 2.6720 2.6720 2.7938 2.7938 3.3365 3.3365 3.4259 3.4259 7.8237 7.8237 7.8314 7.8314 10.3102 10.3102 10.4293 10.4293 11.2263 11.2263 k = 0.2013 0.3486 0.1586 ( 6978 PWs) bands (ev): -9.9063 -9.9063 -9.9056 -9.9056 -9.7254 -9.7254 -9.7246 -9.7246 -3.7052 -3.7052 -3.7003 -3.7003 -3.5937 -3.5937 -3.5895 -3.5895 -3.0678 -3.0678 -3.0658 -3.0658 -2.9670 -2.9670 -2.9589 -2.9589 -2.8864 -2.8864 -2.8814 -2.8814 0.1056 0.1056 0.1125 0.1125 1.1799 1.1799 1.2294 1.2294 1.6834 1.6834 1.8010 1.8010 2.3174 2.3174 2.3608 2.3608 2.6873 2.6873 2.8052 2.8052 3.3419 3.3419 3.4318 3.4318 7.8246 7.8246 7.8332 7.8332 10.2948 10.2948 10.4158 10.4158 11.2133 11.2133 k = 0.1950 0.3377 0.1586 ( 6976 PWs) bands (ev): -9.9210 -9.9210 -9.9204 -9.9204 -9.7275 -9.7275 -9.7268 -9.7268 -3.7081 -3.7081 -3.7030 -3.7030 -3.5980 -3.5980 -3.5937 -3.5937 -3.0708 -3.0708 -3.0691 -3.0691 -2.9704 -2.9704 -2.9623 -2.9623 -2.8902 -2.8902 -2.8850 -2.8850 0.1192 0.1192 0.1252 0.1252 1.2249 1.2249 1.2715 1.2716 1.7091 1.7091 1.8246 1.8246 2.3561 2.3561 2.4046 2.4046 2.7061 2.7061 2.8191 2.8191 3.3460 3.3460 3.4365 3.4365 7.8249 7.8249 7.8343 7.8343 10.2807 10.2807 10.4038 10.4038 11.1895 11.1895 k = 0.1887 0.3268 0.1586 ( 6984 PWs) bands (ev): -9.9360 -9.9360 -9.9355 -9.9355 -9.7296 -9.7296 -9.7290 -9.7290 -3.7109 -3.7109 -3.7058 -3.7058 -3.6027 -3.6027 -3.5982 -3.5982 -3.0738 -3.0738 -3.0725 -3.0725 -2.9737 -2.9737 -2.9658 -2.9658 -2.8942 -2.8942 -2.8888 -2.8888 0.1333 0.1333 0.1382 0.1382 1.2732 1.2732 1.3167 1.3167 1.7354 1.7354 1.8477 1.8477 2.3939 2.3939 2.4478 2.4478 2.7281 2.7281 2.8350 2.8350 3.3491 3.3491 3.4400 3.4400 7.8242 7.8242 7.8345 7.8345 10.2680 10.2680 10.3932 10.3932 11.1542 11.1542 k = 0.1824 0.3159 0.1586 ( 6988 PWs) bands (ev): -9.9513 -9.9513 -9.9508 -9.9508 -9.7320 -9.7320 -9.7314 -9.7314 -3.7137 -3.7137 -3.7084 -3.7084 -3.6076 -3.6076 -3.6030 -3.6030 -3.0769 -3.0769 -3.0759 -3.0759 -2.9769 -2.9769 -2.9692 -2.9692 -2.8983 -2.8983 -2.8928 -2.8928 0.1476 0.1476 0.1515 0.1515 1.3246 1.3246 1.3644 1.3644 1.7629 1.7629 1.8708 1.8708 2.4309 2.4309 2.4905 2.4905 2.7527 2.7527 2.8527 2.8527 3.3512 3.3512 3.4424 3.4424 7.8223 7.8223 7.8334 7.8334 10.2564 10.2564 10.3839 10.3839 11.1082 11.1082 k = 0.1761 0.3050 0.1586 ( 6990 PWs) bands (ev): -9.9668 -9.9668 -9.9663 -9.9663 -9.7344 -9.7344 -9.7339 -9.7339 -3.7163 -3.7163 -3.7109 -3.7109 -3.6127 -3.6127 -3.6081 -3.6081 -3.0800 -3.0800 -3.0794 -3.0794 -2.9799 -2.9799 -2.9725 -2.9725 -2.9026 -2.9026 -2.8969 -2.8969 0.1619 0.1619 0.1648 0.1648 1.3787 1.3787 1.4143 1.4143 1.7920 1.7920 1.8945 1.8945 2.4670 2.4670 2.5324 2.5324 2.7796 2.7796 2.8717 2.8717 3.3526 3.3526 3.4437 3.4437 7.8188 7.8188 7.8307 7.8307 10.2458 10.2458 10.3757 10.3757 11.0531 11.0531 k = 0.1698 0.2941 0.1586 ( 6984 PWs) bands (ev): -9.9824 -9.9824 -9.9820 -9.9820 -9.7369 -9.7369 -9.7365 -9.7365 -3.7189 -3.7189 -3.7134 -3.7134 -3.6181 -3.6181 -3.6133 -3.6133 -3.0832 -3.0832 -3.0830 -3.0830 -2.9827 -2.9827 -2.9757 -2.9757 -2.9068 -2.9068 -2.9011 -2.9011 0.1760 0.1760 0.1780 0.1780 1.4351 1.4351 1.4658 1.4658 1.8235 1.8235 1.9194 1.9194 2.5022 2.5022 2.5736 2.5736 2.8081 2.8081 2.8918 2.8918 3.3533 3.3533 3.4442 3.4442 7.8134 7.8134 7.8261 7.8261 10.2360 10.2360 10.3682 10.3682 10.9913 10.9913 k = 0.1635 0.2832 0.1586 ( 6980 PWs) bands (ev): -9.9980 -9.9980 -9.9977 -9.9977 -9.7395 -9.7395 -9.7391 -9.7391 -3.7214 -3.7214 -3.7159 -3.7159 -3.6236 -3.6236 -3.6188 -3.6188 -3.0867 -3.0867 -3.0865 -3.0865 -2.9853 -2.9853 -2.9786 -2.9786 -2.9111 -2.9111 -2.9054 -2.9054 0.1897 0.1897 0.1910 0.1910 1.4932 1.4932 1.5184 1.5184 1.8581 1.8581 1.9462 1.9462 2.5364 2.5364 2.6137 2.6137 2.8380 2.8380 2.9123 2.9123 3.3537 3.3537 3.4439 3.4439 7.8058 7.8058 7.8191 7.8191 10.2264 10.2264 10.3607 10.3607 10.9255 10.9255 k = 0.1572 0.2723 0.1586 ( 6972 PWs) bands (ev): -10.0137 -10.0137 -10.0134 -10.0134 -9.7422 -9.7422 -9.7419 -9.7419 -3.7239 -3.7239 -3.7184 -3.7184 -3.6292 -3.6292 -3.6244 -3.6244 -3.0905 -3.0905 -3.0901 -3.0901 -2.9876 -2.9876 -2.9813 -2.9813 -2.9153 -2.9153 -2.9097 -2.9097 0.2028 0.2028 0.2036 0.2036 1.5527 1.5527 1.5715 1.5715 1.8963 1.8963 1.9755 1.9755 2.5695 2.5695 2.6528 2.6528 2.8686 2.8686 2.9331 2.9331 3.3539 3.3539 3.4430 3.4430 7.7957 7.7957 7.8094 7.8094 10.2162 10.2162 10.3520 10.3520 10.8587 10.8587 k = 0.1509 0.2614 0.1586 ( 6960 PWs) bands (ev): -10.0294 -10.0294 -10.0291 -10.0291 -9.7450 -9.7450 -9.7446 -9.7446 -3.7263 -3.7263 -3.7209 -3.7209 -3.6348 -3.6348 -3.6300 -3.6300 -3.0945 -3.0945 -3.0938 -3.0938 -2.9896 -2.9896 -2.9838 -2.9838 -2.9195 -2.9195 -2.9139 -2.9139 0.2151 0.2151 0.2159 0.2159 1.6127 1.6127 1.6246 1.6246 1.9387 1.9387 2.0079 2.0079 2.6015 2.6015 2.6906 2.6906 2.8998 2.8998 2.9539 2.9539 3.3542 3.3542 3.4415 3.4415 7.7826 7.7826 7.7966 7.7966 10.2041 10.2041 10.3398 10.3398 10.7946 10.7946 k = 0.1447 0.2505 0.1586 ( 6970 PWs) bands (ev): -10.0449 -10.0449 -10.0446 -10.0446 -9.7478 -9.7478 -9.7475 -9.7475 -3.7288 -3.7288 -3.7234 -3.7234 -3.6406 -3.6406 -3.6358 -3.6358 -3.0987 -3.0987 -3.0978 -3.0978 -2.9915 -2.9915 -2.9860 -2.9860 -2.9236 -2.9236 -2.9182 -2.9182 0.2265 0.2265 0.2275 0.2275 1.6720 1.6720 1.6781 1.6781 1.9856 1.9856 2.0440 2.0440 2.6323 2.6323 2.7269 2.7269 2.9310 2.9310 2.9742 2.9742 3.3548 3.3548 3.4397 3.4397 7.7663 7.7663 7.7804 7.7804 10.1881 10.1881 10.3205 10.3205 10.7382 10.7382 k = 0.1384 0.2397 0.1586 ( 6962 PWs) bands (ev): -10.0602 -10.0602 -10.0600 -10.0600 -9.7506 -9.7506 -9.7503 -9.7503 -3.7312 -3.7312 -3.7260 -3.7260 -3.6462 -3.6462 -3.6415 -3.6415 -3.1031 -3.1031 -3.1020 -3.1020 -2.9929 -2.9929 -2.9879 -2.9879 -2.9275 -2.9275 -2.9223 -2.9223 0.2369 0.2369 0.2382 0.2382 1.7268 1.7268 1.7347 1.7347 2.0372 2.0372 2.0844 2.0844 2.6619 2.6619 2.7617 2.7617 2.9621 2.9621 2.9940 2.9940 3.3560 3.3560 3.4376 3.4376 7.7465 7.7465 7.7605 7.7605 10.1657 10.1657 10.2896 10.2896 10.6950 10.6950 k = 0.1321 0.2288 0.1586 ( 6958 PWs) bands (ev): -10.0754 -10.0754 -10.0752 -10.0752 -9.7534 -9.7534 -9.7532 -9.7532 -3.7336 -3.7336 -3.7286 -3.7286 -3.6517 -3.6517 -3.6472 -3.6472 -3.1076 -3.1076 -3.1064 -3.1064 -2.9941 -2.9941 -2.9895 -2.9895 -2.9312 -2.9312 -2.9263 -2.9263 0.2464 0.2464 0.2479 0.2479 1.7782 1.7782 1.7928 1.7928 2.0932 2.0932 2.1292 2.1292 2.6902 2.6902 2.7947 2.7947 2.9925 2.9925 3.0132 3.0132 3.3581 3.3581 3.4354 3.4354 7.7231 7.7231 7.7368 7.7368 10.1342 10.1342 10.2438 10.2438 10.6693 10.6693 k = 0.1258 0.2179 0.1586 ( 6966 PWs) bands (ev): -10.0902 -10.0902 -10.0901 -10.0901 -9.7562 -9.7562 -9.7560 -9.7560 -3.7361 -3.7361 -3.7313 -3.7313 -3.6572 -3.6572 -3.6528 -3.6528 -3.1123 -3.1123 -3.1111 -3.1111 -2.9951 -2.9951 -2.9909 -2.9909 -2.9348 -2.9348 -2.9302 -2.9302 0.2550 0.2550 0.2566 0.2566 1.8283 1.8283 1.8499 1.8499 2.1530 2.1530 2.1788 2.1788 2.7173 2.7173 2.8257 2.8257 3.0212 3.0212 3.0328 3.0328 3.3611 3.3611 3.4333 3.4333 7.6958 7.6958 7.7092 7.7092 10.0914 10.0914 10.1830 10.1830 10.6619 10.6619 k = 0.1195 0.2070 0.1586 ( 6974 PWs) bands (ev): -10.1048 -10.1048 -10.1046 -10.1046 -9.7590 -9.7590 -9.7589 -9.7589 -3.7387 -3.7387 -3.7341 -3.7341 -3.6624 -3.6624 -3.6583 -3.6583 -3.1171 -3.1171 -3.1159 -3.1159 -2.9958 -2.9958 -2.9919 -2.9919 -2.9382 -2.9382 -2.9339 -2.9339 0.2625 0.2625 0.2642 0.2642 1.8778 1.8778 1.9051 1.9051 2.2159 2.2159 2.2328 2.2328 2.7431 2.7431 2.8546 2.8546 3.0442 3.0442 3.0565 3.0565 3.3653 3.3653 3.4313 3.4313 7.6648 7.6648 7.6776 7.6776 10.0369 10.0369 10.1103 10.1103 10.6704 10.6704 k = 0.1132 0.1961 0.1586 ( 6978 PWs) bands (ev): -10.1189 -10.1189 -10.1188 -10.1188 -9.7618 -9.7618 -9.7617 -9.7617 -3.7412 -3.7412 -3.7369 -3.7369 -3.6675 -3.6675 -3.6635 -3.6635 -3.1219 -3.1219 -3.1208 -3.1208 -2.9962 -2.9962 -2.9928 -2.9928 -2.9414 -2.9414 -2.9374 -2.9374 0.2690 0.2690 0.2707 0.2707 1.9269 1.9269 1.9585 1.9585 2.2808 2.2808 2.2910 2.2910 2.7678 2.7678 2.8811 2.8811 3.0622 3.0622 3.0838 3.0838 3.3708 3.3708 3.4297 3.4297 7.6301 7.6301 7.6421 7.6421 9.9720 9.9720 10.0294 10.0294 10.6916 10.6916 k = 0.1069 0.1852 0.1586 ( 6988 PWs) bands (ev): -10.1326 -10.1326 -10.1325 -10.1325 -9.7645 -9.7645 -9.7644 -9.7644 -3.7438 -3.7438 -3.7398 -3.7398 -3.6722 -3.6722 -3.6686 -3.6686 -3.1268 -3.1268 -3.1258 -3.1258 -2.9964 -2.9964 -2.9934 -2.9934 -2.9444 -2.9444 -2.9407 -2.9407 0.2745 0.2745 0.2761 0.2761 1.9757 1.9757 2.0101 2.0101 2.3464 2.3464 2.3531 2.3531 2.7914 2.7914 2.9049 2.9049 3.0789 3.0789 3.1111 3.1111 3.3774 3.3774 3.4286 3.4286 7.5919 7.5919 7.6030 7.6030 9.8989 9.8989 9.9433 9.9433 10.7223 10.7223 k = 0.1006 0.1743 0.1586 ( 6996 PWs) bands (ev): -10.1457 -10.1457 -10.1457 -10.1457 -9.7672 -9.7672 -9.7671 -9.7671 -3.7464 -3.7464 -3.7429 -3.7429 -3.6767 -3.6767 -3.6734 -3.6734 -3.1318 -3.1318 -3.1308 -3.1308 -2.9965 -2.9965 -2.9937 -2.9937 -2.9471 -2.9471 -2.9438 -2.9438 0.2791 0.2791 0.2806 0.2806 2.0243 2.0243 2.0599 2.0599 2.4112 2.4112 2.4186 2.4186 2.8141 2.8141 2.9260 2.9260 3.0955 3.0955 3.1376 3.1376 3.3852 3.3852 3.4280 3.4280 7.5505 7.5505 7.5606 7.5606 9.8201 9.8201 9.8543 9.8543 10.7582 10.7582 k = 0.0943 0.1634 0.1586 ( 6992 PWs) bands (ev): -10.1584 -10.1584 -10.1583 -10.1583 -9.7698 -9.7698 -9.7697 -9.7697 -3.7490 -3.7490 -3.7459 -3.7459 -3.6809 -3.6809 -3.6780 -3.6780 -3.1366 -3.1366 -3.1357 -3.1357 -2.9964 -2.9964 -2.9939 -2.9939 -2.9496 -2.9496 -2.9467 -2.9467 0.2828 0.2828 0.2841 0.2841 2.0725 2.0725 2.1080 2.1080 2.4758 2.4758 2.4852 2.4852 2.8360 2.8360 2.9443 2.9443 3.1126 3.1126 3.1629 3.1629 3.3939 3.3939 3.4282 3.4282 7.5063 7.5063 7.5153 7.5153 9.7377 9.7377 9.7639 9.7639 10.7998 10.7998 k = 0.0881 0.1525 0.1586 ( 6988 PWs) bands (ev): -10.1704 -10.1704 -10.1704 -10.1704 -9.7723 -9.7723 -9.7722 -9.7722 -3.7516 -3.7516 -3.7489 -3.7489 -3.6847 -3.6847 -3.6822 -3.6822 -3.1414 -3.1414 -3.1406 -3.1406 -2.9961 -2.9961 -2.9940 -2.9940 -2.9519 -2.9519 -2.9493 -2.9493 0.2857 0.2857 0.2868 0.2868 2.1201 2.1201 2.1543 2.1543 2.5399 2.5399 2.5509 2.5509 2.8573 2.8573 2.9601 2.9601 3.1305 3.1305 3.1869 3.1869 3.4035 3.4035 3.4294 3.4294 7.4597 7.4597 7.4677 7.4677 9.6534 9.6534 9.6735 9.6735 10.8487 10.8487 k = 0.0818 0.1416 0.1586 ( 6984 PWs) bands (ev): -10.1818 -10.1818 -10.1818 -10.1818 -9.7747 -9.7747 -9.7746 -9.7746 -3.7542 -3.7542 -3.7519 -3.7519 -3.6882 -3.6882 -3.6861 -3.6861 -3.1460 -3.1460 -3.1454 -3.1454 -2.9958 -2.9958 -2.9939 -2.9939 -2.9539 -2.9539 -2.9517 -2.9517 0.2878 0.2878 0.2888 0.2888 2.1668 2.1668 2.1988 2.1988 2.6027 2.6027 2.6147 2.6147 2.8782 2.8782 2.9737 2.9737 3.1491 3.1491 3.2095 3.2095 3.4137 3.4137 3.4317 3.4317 7.4115 7.4115 7.4184 7.4184 9.5687 9.5687 9.5841 9.5841 10.9037 10.9037 k = 0.0755 0.1307 0.1586 ( 6996 PWs) bands (ev): -10.1926 -10.1926 -10.1925 -10.1925 -9.7770 -9.7770 -9.7769 -9.7769 -3.7568 -3.7568 -3.7549 -3.7549 -3.6915 -3.6915 -3.6897 -3.6897 -3.1505 -3.1505 -3.1500 -3.1500 -2.9954 -2.9954 -2.9939 -2.9939 -2.9558 -2.9558 -2.9539 -2.9539 0.2893 0.2893 0.2902 0.2902 2.2122 2.2122 2.2413 2.2413 2.6633 2.6633 2.6756 2.6756 2.8989 2.8989 2.9857 2.9857 3.1685 3.1685 3.2302 3.2302 3.4246 3.4246 3.4357 3.4357 7.3622 7.3622 7.3680 7.3680 9.4849 9.4849 9.4965 9.4965 10.9635 10.9635 k = 0.0692 0.1198 0.1586 ( 7000 PWs) bands (ev): -10.2026 -10.2026 -10.2026 -10.2026 -9.7791 -9.7791 -9.7791 -9.7791 -3.7594 -3.7594 -3.7578 -3.7578 -3.6944 -3.6944 -3.6930 -3.6930 -3.1548 -3.1548 -3.1544 -3.1544 -2.9950 -2.9950 -2.9937 -2.9937 -2.9575 -2.9575 -2.9559 -2.9559 0.2903 0.2903 0.2910 0.2910 2.2558 2.2558 2.2814 2.2814 2.7205 2.7205 2.7327 2.7327 2.9197 2.9197 2.9969 2.9969 3.1882 3.1882 3.2487 3.2487 3.4359 3.4359 3.4419 3.4419 7.3126 7.3126 7.3173 7.3173 9.4031 9.4031 9.4118 9.4118 11.0269 11.0269 k = 0.0629 0.1089 0.1586 ( 6998 PWs) bands (ev): -10.2119 -10.2119 -10.2118 -10.2118 -9.7811 -9.7811 -9.7811 -9.7811 -3.7618 -3.7618 -3.7606 -3.7606 -3.6970 -3.6970 -3.6959 -3.6959 -3.1588 -3.1588 -3.1585 -3.1585 -2.9945 -2.9945 -2.9935 -2.9935 -2.9589 -2.9589 -2.9577 -2.9577 0.2909 0.2909 0.2914 0.2914 2.2971 2.2971 2.3188 2.3188 2.7733 2.7733 2.7852 2.7852 2.9409 2.9409 3.0082 3.0082 3.2075 3.2075 3.2644 3.2644 3.4473 3.4473 3.4512 3.4512 7.2634 7.2634 7.2672 7.2672 9.3243 9.3243 9.3307 9.3307 11.0924 11.0924 k = 0.0566 0.0980 0.1586 ( 7000 PWs) bands (ev): -10.2203 -10.2203 -10.2203 -10.2203 -9.7829 -9.7829 -9.7829 -9.7829 -3.7642 -3.7642 -3.7633 -3.7633 -3.6994 -3.6994 -3.6985 -3.6985 -3.1626 -3.1626 -3.1623 -3.1623 -2.9941 -2.9941 -2.9933 -2.9933 -2.9602 -2.9602 -2.9592 -2.9592 0.2910 0.2910 0.2914 0.2914 2.3356 2.3356 2.3532 2.3532 2.8206 2.8206 2.8323 2.8323 2.9630 2.9630 3.0203 3.0203 3.2258 3.2258 3.2766 3.2766 3.4593 3.4593 3.4636 3.4636 7.2154 7.2154 7.2183 7.2183 9.2495 9.2495 9.2541 9.2541 11.1583 11.1583 k = 0.0503 0.0871 0.1586 ( 7004 PWs) bands (ev): -10.2280 -10.2280 -10.2280 -10.2280 -9.7846 -9.7846 -9.7846 -9.7846 -3.7664 -3.7664 -3.7657 -3.7657 -3.7014 -3.7014 -3.7008 -3.7008 -3.1660 -3.1660 -3.1658 -3.1658 -2.9936 -2.9936 -2.9930 -2.9930 -2.9613 -2.9613 -2.9606 -2.9606 0.2909 0.2909 0.2912 0.2912 2.3707 2.3707 2.3844 2.3844 2.8614 2.8614 2.8728 2.8728 2.9868 2.9868 3.0341 3.0341 3.2419 3.2419 3.2850 3.2850 3.4733 3.4733 3.4779 3.4779 7.1695 7.1695 7.1716 7.1716 9.1796 9.1796 9.1828 9.1828 11.2228 11.2228 k = 0.0440 0.0763 0.1586 ( 6996 PWs) bands (ev): -10.2348 -10.2348 -10.2348 -10.2348 -9.7861 -9.7861 -9.7861 -9.7861 -3.7684 -3.7684 -3.7680 -3.7680 -3.7032 -3.7032 -3.7028 -3.7028 -3.1691 -3.1691 -3.1690 -3.1690 -2.9932 -2.9932 -2.9928 -2.9928 -2.9622 -2.9622 -2.9617 -2.9617 0.2906 0.2906 0.2908 0.2908 2.4021 2.4021 2.4121 2.4121 2.8954 2.8954 2.9057 2.9057 3.0128 3.0128 3.0502 3.0502 3.2551 3.2551 3.2895 3.2895 3.4895 3.4895 3.4935 3.4935 7.1264 7.1264 7.1279 7.1279 9.1155 9.1155 9.1176 9.1176 11.2838 11.2838 k = 0.0377 0.0654 0.1586 ( 7002 PWs) bands (ev): -10.2408 -10.2408 -10.2408 -10.2408 -9.7874 -9.7874 -9.7874 -9.7874 -3.7703 -3.7703 -3.7700 -3.7700 -3.7047 -3.7047 -3.7045 -3.7045 -3.1718 -3.1718 -3.1718 -3.1718 -2.9929 -2.9929 -2.9926 -2.9926 -2.9630 -2.9630 -2.9627 -2.9627 0.2902 0.2902 0.2904 0.2904 2.4293 2.4293 2.4362 2.4362 2.9228 2.9228 2.9310 2.9310 3.0410 3.0410 3.0685 3.0685 3.2646 3.2646 3.2901 3.2901 3.5070 3.5070 3.5099 3.5099 7.0870 7.0870 7.0881 7.0881 9.0580 9.0580 9.0593 9.0593 11.3388 11.3388 k = 0.0314 0.0545 0.1586 ( 7006 PWs) bands (ev): -10.2459 -10.2459 -10.2459 -10.2459 -9.7885 -9.7885 -9.7885 -9.7885 -3.7719 -3.7719 -3.7717 -3.7717 -3.7060 -3.7060 -3.7059 -3.7059 -3.1742 -3.1742 -3.1741 -3.1741 -2.9926 -2.9926 -2.9925 -2.9925 -2.9636 -2.9636 -2.9634 -2.9634 0.2898 0.2898 0.2899 0.2899 2.4523 2.4523 2.4565 2.4565 2.9441 2.9441 2.9497 2.9497 3.0700 3.0700 3.0886 3.0886 3.2700 3.2700 3.2874 3.2874 3.5246 3.5246 3.5264 3.5264 7.0522 7.0522 7.0528 7.0528 9.0078 9.0078 9.0086 9.0086 11.3852 11.3852 k = 0.0252 0.0436 0.1586 ( 7010 PWs) bands (ev): -10.2501 -10.2501 -10.2501 -10.2501 -9.7895 -9.7895 -9.7895 -9.7895 -3.7732 -3.7732 -3.7731 -3.7731 -3.7071 -3.7071 -3.7070 -3.7070 -3.1762 -3.1762 -3.1761 -3.1761 -2.9924 -2.9924 -2.9923 -2.9923 -2.9641 -2.9641 -2.9640 -2.9640 0.2893 0.2893 0.2894 0.2894 2.4709 2.4709 2.4732 2.4732 2.9601 2.9601 2.9633 2.9633 3.0981 3.0981 3.1093 3.1093 3.2713 3.2713 3.2820 3.2820 3.5411 3.5411 3.5421 3.5421 7.0225 7.0225 7.0228 7.0228 8.9657 8.9657 8.9661 8.9661 11.4211 11.4225 k = 0.0189 0.0327 0.1586 ( 7002 PWs) bands (ev): -10.2534 -10.2534 -10.2534 -10.2534 -9.7902 -9.7902 -9.7902 -9.7902 -3.7743 -3.7743 -3.7742 -3.7742 -3.7079 -3.7079 -3.7079 -3.7079 -3.1777 -3.1777 -3.1776 -3.1776 -2.9922 -2.9922 -2.9922 -2.9922 -2.9645 -2.9645 -2.9645 -2.9645 0.2889 0.2889 0.2889 0.2889 2.4851 2.4851 2.4862 2.4862 2.9717 2.9717 2.9732 2.9732 3.1236 3.1236 3.1293 3.1293 3.2692 3.2692 3.2747 3.2747 3.5553 3.5553 3.5557 3.5557 6.9986 6.9986 6.9988 6.9988 8.9322 8.9322 8.9325 8.9325 11.4459 11.4461 k = 0.0126 0.0218 0.1586 ( 6998 PWs) bands (ev): -10.2557 -10.2557 -10.2557 -10.2557 -9.7907 -9.7907 -9.7907 -9.7907 -3.7750 -3.7750 -3.7750 -3.7750 -3.7085 -3.7085 -3.7085 -3.7085 -3.1788 -3.1788 -3.1788 -3.1788 -2.9921 -2.9921 -2.9921 -2.9921 -2.9648 -2.9648 -2.9648 -2.9648 0.2886 0.2886 0.2886 0.2886 2.4951 2.4951 2.4955 2.4955 2.9794 2.9794 2.9800 2.9800 3.1449 3.1449 3.1470 3.1470 3.2646 3.2646 3.2666 3.2666 3.5662 3.5662 3.5663 3.5663 6.9812 6.9812 6.9812 6.9812 8.9080 8.9080 8.9081 8.9081 11.4611 11.4615 k = 0.0063 0.0109 0.1586 ( 7002 PWs) bands (ev): -10.2571 -10.2571 -10.2571 -10.2571 -9.7910 -9.7910 -9.7910 -9.7910 -3.7755 -3.7755 -3.7755 -3.7755 -3.7089 -3.7089 -3.7089 -3.7089 -3.1794 -3.1794 -3.1794 -3.1794 -2.9920 -2.9920 -2.9920 -2.9920 -2.9650 -2.9650 -2.9650 -2.9650 0.2884 0.2884 0.2884 0.2884 2.5010 2.5010 2.5011 2.5011 2.9839 2.9839 2.9840 2.9840 3.1596 3.1596 3.1599 3.1599 3.2596 3.2596 3.2599 3.2599 3.5730 3.5730 3.5730 3.5730 6.9705 6.9705 6.9706 6.9706 8.8933 8.8933 8.8933 8.8933 11.4686 11.4688 k = 0.0000 0.0000 0.1586 ( 7002 PWs) bands (ev): -10.2576 -10.2576 -10.2576 -10.2576 -9.7912 -9.7912 -9.7912 -9.7912 -3.7757 -3.7757 -3.7757 -3.7757 -3.7090 -3.7090 -3.7090 -3.7090 -3.1797 -3.1797 -3.1797 -3.1797 -2.9920 -2.9920 -2.9920 -2.9920 -2.9650 -2.9650 -2.9650 -2.9650 0.2883 0.2883 0.2883 0.2883 2.5029 2.5029 2.5029 2.5029 2.9853 2.9853 2.9853 2.9853 3.1650 3.1650 3.1650 3.1650 3.2573 3.2573 3.2573 3.2573 3.5753 3.5753 3.5753 3.5753 6.9670 6.9670 6.9670 6.9670 8.8884 8.8884 8.8884 8.8884 11.4710 11.4710 k = 0.5000 0.2887 0.1586 ( 6924 PWs) bands (ev): -9.7895 -9.7895 -9.7895 -9.7895 -9.7306 -9.7306 -9.7306 -9.7306 -3.7248 -3.7248 -3.7248 -3.7248 -3.5352 -3.5352 -3.5352 -3.5352 -3.1105 -3.1105 -3.1105 -3.1105 -2.8943 -2.8943 -2.8943 -2.8943 -2.8168 -2.8168 -2.8168 -2.8168 -0.0816 -0.0816 -0.0816 -0.0816 0.5933 0.5933 0.5933 0.5933 1.9001 1.9001 1.9001 1.9001 2.2088 2.2088 2.2088 2.2088 3.0048 3.0048 3.0048 3.0048 3.3650 3.3650 3.3650 3.3650 7.2764 7.2764 7.2764 7.2764 9.5601 9.5601 9.5601 9.5601 11.2565 11.2565 k = 0.5000 0.2887 0.1464 ( 6920 PWs) bands (ev): -9.7904 -9.7904 -9.7885 -9.7885 -9.7316 -9.7316 -9.7296 -9.7296 -3.7249 -3.7249 -3.7246 -3.7246 -3.5355 -3.5355 -3.5348 -3.5348 -3.1109 -3.1109 -3.1101 -3.1101 -2.8946 -2.8946 -2.8941 -2.8941 -2.8171 -2.8171 -2.8164 -2.8164 -0.0877 -0.0877 -0.0759 -0.0759 0.5836 0.5836 0.6047 0.6047 1.8871 1.8871 1.9116 1.9116 2.1958 2.1958 2.2211 2.2211 2.9848 2.9848 3.0262 3.0262 3.3469 3.3469 3.3836 3.3836 7.2548 7.2548 7.2965 7.2965 9.5332 9.5332 9.5888 9.5888 11.2378 11.2378 k = 0.5000 0.2887 0.1342 ( 6918 PWs) bands (ev): -9.7912 -9.7912 -9.7876 -9.7876 -9.7326 -9.7326 -9.7287 -9.7287 -3.7251 -3.7251 -3.7244 -3.7244 -3.5358 -3.5358 -3.5345 -3.5345 -3.1113 -3.1113 -3.1098 -3.1098 -2.8948 -2.8948 -2.8938 -2.8938 -2.8175 -2.8175 -2.8160 -2.8160 -0.0943 -0.0943 -0.0708 -0.0708 0.5756 0.5756 0.6174 0.6174 1.8728 1.8728 1.9214 1.9214 2.1825 2.1825 2.2323 2.2323 2.9667 2.9667 3.0482 3.0482 3.3294 3.3294 3.4023 3.4023 7.2319 7.2319 7.3145 7.3145 9.5084 9.5084 9.6188 9.6188 11.2255 11.2255 k = 0.5000 0.2887 0.1220 ( 6916 PWs) bands (ev): -9.7921 -9.7921 -9.7866 -9.7866 -9.7337 -9.7337 -9.7278 -9.7278 -3.7252 -3.7252 -3.7242 -3.7242 -3.5361 -3.5361 -3.5342 -3.5342 -3.1116 -3.1116 -3.1094 -3.1094 -2.8951 -2.8951 -2.8935 -2.8935 -2.8179 -2.8179 -2.8157 -2.8157 -0.1010 -0.1010 -0.0665 -0.0665 0.5695 0.5695 0.6312 0.6312 1.8577 1.8577 1.9293 1.9293 2.1694 2.1694 2.2420 2.2420 2.9509 2.9509 3.0701 3.0701 3.3131 3.3131 3.4208 3.4208 7.2084 7.2084 7.3303 7.3303 9.4859 9.4859 9.6495 9.6495 11.2201 11.2201 k = 0.5000 0.2887 0.1098 ( 6918 PWs) bands (ev): -9.7928 -9.7928 -9.7856 -9.7856 -9.7347 -9.7347 -9.7270 -9.7270 -3.7254 -3.7254 -3.7241 -3.7241 -3.5364 -3.5364 -3.5339 -3.5339 -3.1120 -3.1120 -3.1090 -3.1090 -2.8953 -2.8953 -2.8932 -2.8932 -2.8183 -2.8183 -2.8153 -2.8153 -0.1077 -0.1077 -0.0629 -0.0629 0.5652 0.5652 0.6457 0.6457 1.8419 1.8419 1.9352 1.9352 2.1569 2.1569 2.2501 2.2501 2.9378 2.9378 3.0912 3.0912 3.2982 3.2982 3.4388 3.4388 7.1848 7.1848 7.3437 7.3437 9.4661 9.4661 9.6804 9.6804 11.2219 11.2219 k = 0.5000 0.2887 0.0976 ( 6916 PWs) bands (ev): -9.7935 -9.7935 -9.7847 -9.7847 -9.7357 -9.7357 -9.7262 -9.7262 -3.7255 -3.7255 -3.7239 -3.7239 -3.5367 -3.5367 -3.5336 -3.5336 -3.1123 -3.1123 -3.1087 -3.1087 -2.8955 -2.8955 -2.8930 -2.8930 -2.8186 -2.8186 -2.8150 -2.8150 -0.1142 -0.1142 -0.0601 -0.0601 0.5625 0.5625 0.6604 0.6604 1.8259 1.8259 1.9392 1.9392 2.1454 2.1454 2.2566 2.2566 2.9272 2.9272 3.1107 3.1107 3.2851 3.2851 3.4561 3.4561 7.1616 7.1616 7.3547 7.3547 9.4489 9.4489 9.7108 9.7108 11.2311 11.2311 k = 0.5000 0.2887 0.0854 ( 6924 PWs) bands (ev): -9.7941 -9.7941 -9.7838 -9.7838 -9.7367 -9.7367 -9.7255 -9.7255 -3.7257 -3.7257 -3.7238 -3.7238 -3.5370 -3.5370 -3.5333 -3.5333 -3.1126 -3.1126 -3.1084 -3.1084 -2.8958 -2.8958 -2.8927 -2.8927 -2.8190 -2.8190 -2.8148 -2.8148 -0.1204 -0.1204 -0.0580 -0.0580 0.5613 0.5613 0.6750 0.6750 1.8102 1.8102 1.9413 1.9413 2.1348 2.1348 2.2618 2.2618 2.9192 2.9192 3.1278 3.1278 3.2744 3.2744 3.4724 3.4724 7.1395 7.1395 7.3634 7.3634 9.4342 9.4342 9.7399 9.7399 11.2476 11.2476 k = 0.5000 0.2887 0.0732 ( 6928 PWs) bands (ev): -9.7947 -9.7947 -9.7830 -9.7830 -9.7376 -9.7376 -9.7249 -9.7249 -3.7258 -3.7258 -3.7237 -3.7237 -3.5372 -3.5372 -3.5331 -3.5331 -3.1129 -3.1129 -3.1081 -3.1081 -2.8959 -2.8959 -2.8925 -2.8925 -2.8193 -2.8193 -2.8145 -2.8145 -0.1261 -0.1261 -0.0566 -0.0566 0.5613 0.5613 0.6889 0.6889 1.7952 1.7952 1.9420 1.9420 2.1255 2.1255 2.2657 2.2657 2.9134 2.9134 3.1420 3.1420 3.2663 3.2663 3.4873 3.4873 7.1190 7.1190 7.3701 7.3701 9.4221 9.4221 9.7670 9.7670 11.2714 11.2714 k = 0.5000 0.2887 0.0610 ( 6924 PWs) bands (ev): -9.7952 -9.7952 -9.7822 -9.7822 -9.7384 -9.7384 -9.7244 -9.7244 -3.7259 -3.7259 -3.7236 -3.7236 -3.5374 -3.5374 -3.5329 -3.5329 -3.1131 -3.1131 -3.1079 -3.1079 -2.8961 -2.8961 -2.8923 -2.8923 -2.8195 -2.8195 -2.8143 -2.8143 -0.1311 -0.1311 -0.0556 -0.0556 0.5622 0.5622 0.7017 0.7017 1.7815 1.7815 1.9416 1.9416 2.1172 2.1172 2.2688 2.2688 2.9094 2.9094 3.1525 3.1525 3.2613 3.2613 3.5006 3.5006 7.1007 7.1007 7.3750 7.3750 9.4122 9.4122 9.7915 9.7915 11.3021 11.3021 k = 0.5000 0.2887 0.0488 ( 6932 PWs) bands (ev): -9.7956 -9.7956 -9.7815 -9.7815 -9.7391 -9.7391 -9.7240 -9.7240 -3.7260 -3.7260 -3.7235 -3.7235 -3.5376 -3.5376 -3.5327 -3.5327 -3.1133 -3.1133 -3.1077 -3.1077 -2.8962 -2.8962 -2.8922 -2.8922 -2.8198 -2.8198 -2.8142 -2.8142 -0.1354 -0.1354 -0.0551 -0.0551 0.5635 0.5635 0.7129 0.7129 1.7694 1.7694 1.9404 1.9404 2.1103 2.1103 2.2712 2.2712 2.9068 2.9068 3.1596 3.1596 3.2592 3.2592 3.5119 3.5119 7.0850 7.0850 7.3785 7.3785 9.4045 9.4045 9.8126 9.8126 11.3393 11.3393 k = 0.5000 0.2887 0.0366 ( 6944 PWs) bands (ev): -9.7959 -9.7959 -9.7810 -9.7810 -9.7396 -9.7396 -9.7236 -9.7236 -3.7260 -3.7260 -3.7235 -3.7235 -3.5378 -3.5378 -3.5326 -3.5326 -3.1135 -3.1135 -3.1076 -3.1076 -2.8964 -2.8964 -2.8921 -2.8921 -2.8200 -2.8200 -2.8141 -2.8141 -0.1389 -0.1389 -0.0548 -0.0548 0.5650 0.5650 0.7221 0.7221 1.7595 1.7595 1.9390 1.9390 2.1046 2.1046 2.2730 2.2730 2.9052 2.9052 3.1636 3.1636 3.2591 3.2591 3.5210 3.5210 7.0723 7.0723 7.3807 7.3807 9.3987 9.3987 9.8298 9.8298 11.3819 11.3819 k = 0.5000 0.2887 0.0244 ( 6918 PWs) bands (ev): -9.7961 -9.7961 -9.7806 -9.7806 -9.7400 -9.7400 -9.7234 -9.7234 -3.7259 -3.7259 -3.7234 -3.7234 -3.5379 -3.5379 -3.5324 -3.5324 -3.1135 -3.1135 -3.1074 -3.1074 -2.8964 -2.8964 -2.8919 -2.8919 -2.8201 -2.8201 -2.8139 -2.8139 -0.1414 -0.1414 -0.0547 -0.0547 0.5663 0.5663 0.7290 0.7290 1.7522 1.7522 1.9378 1.9378 2.1005 2.1005 2.2743 2.2743 2.9043 2.9043 3.1656 3.1656 3.2601 3.2601 3.5277 3.5277 7.0631 7.0631 7.3821 7.3821 9.3947 9.3947 9.8425 9.8425 11.4282 11.4282 k = 0.5000 0.2887 0.0122 ( 6928 PWs) bands (ev): -9.7962 -9.7962 -9.7804 -9.7804 -9.7403 -9.7403 -9.7232 -9.7232 -3.7260 -3.7260 -3.7234 -3.7234 -3.5379 -3.5379 -3.5324 -3.5324 -3.1136 -3.1136 -3.1074 -3.1074 -2.8964 -2.8964 -2.8919 -2.8919 -2.8202 -2.8202 -2.8139 -2.8139 -0.1429 -0.1429 -0.0546 -0.0546 0.5672 0.5672 0.7332 0.7332 1.7476 1.7476 1.9369 1.9369 2.0979 2.0979 2.2751 2.2751 2.9038 2.9038 3.1664 3.1664 3.2612 3.2612 3.5318 3.5318 7.0574 7.0574 7.3828 7.3828 9.3924 9.3924 9.8502 9.8502 11.4732 11.4732 k = 0.5000 0.2887-0.0000 ( 6926 PWs) bands (ev): -9.7963 -9.7963 -9.7803 -9.7803 -9.7404 -9.7404 -9.7232 -9.7232 -3.7260 -3.7260 -3.7234 -3.7234 -3.5380 -3.5380 -3.5323 -3.5323 -3.1136 -3.1136 -3.1074 -3.1074 -2.8964 -2.8964 -2.8919 -2.8919 -2.8202 -2.8202 -2.8139 -2.8139 -0.1434 -0.1434 -0.0546 -0.0546 0.5675 0.5675 0.7347 0.7347 1.7461 1.7461 1.9365 1.9365 2.0970 2.0970 2.2753 2.2753 2.9036 2.9036 3.1666 3.1666 3.2616 3.2616 3.5331 3.5331 7.0555 7.0555 7.3830 7.3830 9.3916 9.3916 9.8529 9.8529 11.4975 11.4975 k = 0.3333 0.5774-0.0000 ( 6948 PWs) bands (ev): -9.7272 -9.7272 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6265 -3.6234 -3.6234 -3.6190 -3.5939 -3.5939 -3.5933 -3.5933 -2.9976 -2.9976 -2.9973 -2.9973 -2.9201 -2.9144 -2.9144 -2.9118 -2.8969 -2.8964 -2.8964 -2.8947 0.0162 0.0244 0.0244 0.0382 0.9747 0.9747 1.0688 1.0688 1.1203 1.2058 1.4632 1.4632 1.6273 1.6273 1.6357 1.6880 2.6102 2.6102 2.9249 2.9249 3.0134 3.0260 3.3477 3.3477 7.8612 7.8759 7.8759 7.8999 10.4468 10.4468 10.7343 10.8075 10.8772 10.8772 k = 0.3333 0.5774 0.0122 ( 6954 PWs) bands (ev): -9.7272 -9.7272 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6265 -3.6234 -3.6234 -3.6191 -3.5940 -3.5940 -3.5933 -3.5933 -2.9976 -2.9976 -2.9974 -2.9974 -2.9201 -2.9144 -2.9144 -2.9118 -2.8969 -2.8964 -2.8964 -2.8947 0.0162 0.0243 0.0243 0.0380 0.9758 0.9758 1.0699 1.0699 1.1217 1.2069 1.4607 1.4607 1.6257 1.6257 1.6340 1.6863 2.6137 2.6137 2.9256 2.9256 3.0142 3.0267 3.3454 3.3454 7.8608 7.8754 7.8754 7.8992 10.4502 10.4502 10.7351 10.8078 10.8777 10.8777 k = 0.3333 0.5774 0.0244 ( 6954 PWs) bands (ev): -9.7272 -9.7272 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6264 -3.6234 -3.6234 -3.6192 -3.5940 -3.5940 -3.5933 -3.5933 -2.9976 -2.9976 -2.9974 -2.9974 -2.9200 -2.9144 -2.9144 -2.9119 -2.8969 -2.8964 -2.8964 -2.8948 0.0161 0.0239 0.0239 0.0374 0.9793 0.9793 1.0734 1.0734 1.1260 1.2104 1.4531 1.4531 1.6211 1.6211 1.6288 1.6812 2.6240 2.6240 2.9277 2.9277 3.0165 3.0286 3.3387 3.3387 7.8593 7.8737 7.8737 7.8968 10.4603 10.4603 10.7377 10.8087 10.8789 10.8789 k = 0.3333 0.5774 0.0366 ( 6948 PWs) bands (ev): -9.7272 -9.7272 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6263 -3.6233 -3.6233 -3.6193 -3.5940 -3.5940 -3.5933 -3.5933 -2.9976 -2.9976 -2.9973 -2.9973 -2.9198 -2.9144 -2.9144 -2.9120 -2.8969 -2.8964 -2.8964 -2.8948 0.0160 0.0233 0.0233 0.0364 0.9850 0.9850 1.0790 1.0790 1.1329 1.2161 1.4408 1.4408 1.6137 1.6137 1.6204 1.6728 2.6407 2.6407 2.9310 2.9310 3.0201 3.0317 3.3275 3.3275 7.8571 7.8710 7.8710 7.8931 10.4771 10.4771 10.7419 10.8101 10.8810 10.8810 k = 0.3333 0.5774 0.0488 ( 6942 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6261 -3.6233 -3.6233 -3.6194 -3.5940 -3.5940 -3.5933 -3.5933 -2.9976 -2.9976 -2.9973 -2.9973 -2.9195 -2.9144 -2.9144 -2.9121 -2.8968 -2.8964 -2.8964 -2.8949 0.0158 0.0225 0.0225 0.0351 0.9930 0.9930 1.0865 1.0865 1.1425 1.2239 1.4246 1.4246 1.6037 1.6037 1.6091 1.6614 2.6632 2.6632 2.9353 2.9353 3.0248 3.0358 3.3121 3.3121 7.8542 7.8675 7.8675 7.8882 10.5003 10.5003 10.7475 10.8118 10.8837 10.8837 k = 0.3333 0.5774 0.0610 ( 6948 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7242 -9.7242 -9.7236 -9.7236 -3.6258 -3.6232 -3.6232 -3.6197 -3.5940 -3.5940 -3.5934 -3.5934 -2.9976 -2.9976 -2.9973 -2.9973 -2.9192 -2.9144 -2.9144 -2.9124 -2.8968 -2.8965 -2.8965 -2.8950 0.0156 0.0215 0.0215 0.0335 1.0031 1.0031 1.0958 1.0958 1.1545 1.2334 1.4050 1.4050 1.5915 1.5915 1.5953 1.6473 2.6907 2.6907 2.9403 2.9403 3.0304 3.0406 3.2926 3.2926 7.8508 7.8634 7.8634 7.8823 10.5297 10.5297 10.7541 10.8136 10.8868 10.8868 k = 0.3333 0.5774 0.0732 ( 6960 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6256 -3.6233 -3.6233 -3.6200 -3.5940 -3.5940 -3.5934 -3.5934 -2.9976 -2.9976 -2.9974 -2.9974 -2.9189 -2.9145 -2.9145 -2.9127 -2.8967 -2.8965 -2.8965 -2.8951 0.0155 0.0204 0.0204 0.0317 1.0152 1.0152 1.1064 1.1064 1.1686 1.2443 1.3829 1.3829 1.5776 1.5776 1.5797 1.6311 2.7226 2.7226 2.9458 2.9458 3.0364 3.0457 3.2693 3.2693 7.8472 7.8588 7.8588 7.8757 10.5649 10.5649 10.7616 10.8154 10.8902 10.8902 k = 0.3333 0.5774 0.0854 ( 6951 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6253 -3.6232 -3.6232 -3.6203 -3.5940 -3.5940 -3.5934 -3.5934 -2.9976 -2.9976 -2.9973 -2.9973 -2.9186 -2.9146 -2.9146 -2.9130 -2.8966 -2.8965 -2.8965 -2.8952 0.0155 0.0193 0.0193 0.0298 1.0292 1.0292 1.1178 1.1178 1.1845 1.2561 1.3592 1.3592 1.5627 1.5627 1.5631 1.6131 2.7579 2.7579 2.9514 2.9514 3.0427 3.0509 3.2426 3.2426 7.8437 7.8542 7.8542 7.8689 10.6055 10.6055 10.7695 10.8170 10.8936 10.8936 k = 0.3333 0.5774 0.0976 ( 6936 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6248 -3.6231 -3.6231 -3.6206 -3.5940 -3.5940 -3.5934 -3.5934 -2.9975 -2.9975 -2.9972 -2.9972 -2.9181 -2.9145 -2.9145 -2.9133 -2.8966 -2.8964 -2.8964 -2.8953 0.0156 0.0183 0.0183 0.0278 1.0447 1.0447 1.1293 1.1293 1.2019 1.2680 1.3348 1.3348 1.5463 1.5475 1.5475 1.5940 2.7957 2.7957 2.9568 2.9568 3.0489 3.0559 3.2127 3.2127 7.8405 7.8497 7.8497 7.8620 10.6510 10.6510 10.7776 10.8181 10.8970 10.8970 k = 0.3333 0.5774 0.1098 ( 6948 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6245 -3.6231 -3.6231 -3.6210 -3.5940 -3.5940 -3.5935 -3.5935 -2.9976 -2.9976 -2.9972 -2.9972 -2.9177 -2.9146 -2.9146 -2.9138 -2.8965 -2.8965 -2.8965 -2.8955 0.0158 0.0173 0.0173 0.0258 1.0613 1.0613 1.1402 1.1402 1.2201 1.2789 1.3107 1.3107 1.5307 1.5330 1.5330 1.5745 2.8351 2.8351 2.9617 2.9617 3.0545 3.0602 3.1804 3.1804 7.8379 7.8456 7.8456 7.8554 10.7006 10.7006 10.7855 10.8184 10.9000 10.9000 k = 0.3333 0.5774 0.1220 ( 6945 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6241 -3.6231 -3.6231 -3.6214 -3.5940 -3.5940 -3.5935 -3.5935 -2.9976 -2.9976 -2.9972 -2.9972 -2.9172 -2.9146 -2.9146 -2.9142 -2.8964 -2.8964 -2.8964 -2.8956 0.0163 0.0165 0.0165 0.0239 1.0785 1.0785 1.1493 1.1493 1.2385 1.2874 1.2882 1.2882 1.5179 1.5200 1.5200 1.5554 2.8750 2.8750 2.9658 2.9658 3.0594 3.0637 3.1462 3.1462 7.8362 7.8422 7.8422 7.8495 10.7536 10.7536 10.7929 10.8179 10.9026 10.9026 k = 0.3333 0.5774 0.1342 ( 6942 PWs) bands (ev): -9.7271 -9.7271 -9.7264 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6236 -3.6231 -3.6231 -3.6218 -3.5940 -3.5940 -3.5935 -3.5935 -2.9976 -2.9976 -2.9972 -2.9972 -2.9167 -2.9147 -2.9147 -2.9147 -2.8964 -2.8964 -2.8962 -2.8957 0.0159 0.0159 0.0170 0.0221 1.0948 1.0948 1.1554 1.1554 1.2561 1.2691 1.2691 1.2918 1.5097 1.5097 1.5097 1.5378 2.9136 2.9136 2.9689 2.9689 3.0633 3.0662 3.1119 3.1119 7.8354 7.8396 7.8396 7.8444 10.7996 10.8080 10.8080 10.8165 10.9047 10.9047 k = 0.3333 0.5774 0.1464 ( 6927 PWs) bands (ev): -9.7271 -9.7271 -9.7263 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6231 -3.6230 -3.6230 -3.6222 -3.5939 -3.5939 -3.5935 -3.5935 -2.9975 -2.9975 -2.9971 -2.9971 -2.9161 -2.9151 -2.9146 -2.9146 -2.8964 -2.8964 -2.8961 -2.8958 0.0156 0.0156 0.0179 0.0205 1.1078 1.1078 1.1580 1.1580 1.2560 1.2560 1.2717 1.2907 1.5030 1.5030 1.5077 1.5229 2.9469 2.9469 2.9707 2.9707 3.0660 3.0674 3.0814 3.0814 7.8358 7.8379 7.8379 7.8403 10.8054 10.8139 10.8590 10.8590 10.9066 10.9066 k = 0.3333 0.5774 0.1586 ( 6930 PWs) bands (ev): -9.7271 -9.7271 -9.7263 -9.7263 -9.7243 -9.7243 -9.7236 -9.7236 -3.6230 -3.6230 -3.6227 -3.6227 -3.5939 -3.5939 -3.5935 -3.5935 -2.9975 -2.9975 -2.9971 -2.9971 -2.9156 -2.9156 -2.9147 -2.9147 -2.8964 -2.8964 -2.8960 -2.8960 0.0154 0.0154 0.0191 0.0191 1.1131 1.1131 1.1582 1.1582 1.2513 1.2513 1.2837 1.2837 1.5006 1.5006 1.5124 1.5124 2.9626 2.9626 2.9712 2.9712 3.0668 3.0668 3.0674 3.0674 7.8374 7.8374 7.8375 7.8375 10.8102 10.8102 10.8849 10.8849 10.9092 10.9092 Writing output data file CdBr2.save init_run : 3.79s CPU 10.98s WALL ( 1 calls) electrons : 1581.69s CPU 1594.46s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.76s WALL ( 1 calls) Called by electrons: c_bands : 1581.65s CPU 1594.07s WALL ( 1 calls) v_of_rho : 0.17s CPU 1.01s WALL ( 1 calls) v_h : 0.03s CPU 0.03s WALL ( 1 calls) v_xc : 0.13s CPU 0.60s WALL ( 1 calls) newd : 0.75s CPU 0.95s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 300 calls) cegterg : 1400.02s CPU 1407.50s WALL ( 1270 calls) Called by sum_band: Called by *egterg: h_psi : 518.13s CPU 531.75s WALL ( 24741 calls) s_psi : 39.97s CPU 40.76s WALL ( 24741 calls) g_psi : 1.45s CPU 1.47s WALL ( 23171 calls) cdiaghg : 619.20s CPU 613.82s WALL ( 23471 calls) cegterg:over : 110.28s CPU 105.98s WALL ( 23171 calls) cegterg:upda : 34.04s CPU 41.39s WALL ( 23171 calls) cegterg:last : 21.14s CPU 21.96s WALL ( 2221 calls) Called by h_psi: h_psi:vloc : 424.46s CPU 436.15s WALL ( 24741 calls) h_psi:vnl : 92.80s CPU 93.75s WALL ( 24741 calls) add_vuspsi : 32.08s CPU 35.92s WALL ( 24741 calls) General routines calbec : 60.60s CPU 57.67s WALL ( 24741 calls) fft : 0.21s CPU 1.46s WALL ( 19 calls) ffts : 0.00s CPU 0.13s WALL ( 4 calls) fftw : 368.31s CPU 381.19s WALL ( 1656280 calls) interpolate : 0.03s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 7.37s WALL ( 600 calls) Parallel routines fft_scatter : 225.20s CPU 231.12s WALL ( 1656303 calls) PWSCF : 28m42.92s CPU 36m21.52s WALL This run was terminated on: 17:12: 0 27Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=