Program PWSCF v.5.1.1 starts on 29Jun2015 at 7:11:54 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: ./ZnSe.save/ file Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 22 14 4 992 516 82 Max 23 15 5 1003 533 89 Sum 1069 703 211 47839 25139 4031 bravais-lattice index = 14 lattice parameter (alat) = 7.5513 a.u. unit-cell volume = 618.3431 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 276.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.551345 celldm(2)= 1.000000 celldm(3)= 1.658158 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 1.658158 ) 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 0.603079 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Zn read from file: /home/autes/Pseudo/Zn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 8d14e5a70806ad8c3d477ea097862760 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 1201 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Zn 12.00 65.40900 Zn( 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 ) ( 0.8290791 ) 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 ) ( 0.8290791 ) 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 ) ( 0.8290791 ) 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 ) ( 0.8290791 ) 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 ) ( 0.8290791 ) 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 ) ( 0.8290791 ) 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= 333 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0108696 0.0062755 -0.0000000), wk = 0.0030030 k( 3) = ( 0.0217391 0.0125511 -0.0000000), wk = 0.0030030 k( 4) = ( 0.0326087 0.0188266 -0.0000000), wk = 0.0030030 k( 5) = ( 0.0434783 0.0251022 -0.0000000), wk = 0.0030030 k( 6) = ( 0.0543478 0.0313777 -0.0000000), wk = 0.0030030 k( 7) = ( 0.0652174 0.0376533 -0.0000000), wk = 0.0030030 k( 8) = ( 0.0760870 0.0439288 -0.0000000), wk = 0.0030030 k( 9) = ( 0.0869565 0.0502044 -0.0000000), wk = 0.0030030 k( 10) = ( 0.0978261 0.0564799 -0.0000000), wk = 0.0030030 k( 11) = ( 0.1086957 0.0627555 -0.0000000), wk = 0.0030030 k( 12) = ( 0.1195652 0.0690310 -0.0000000), wk = 0.0030030 k( 13) = ( 0.1304348 0.0753066 -0.0000000), wk = 0.0030030 k( 14) = ( 0.1413043 0.0815821 -0.0000000), wk = 0.0030030 k( 15) = ( 0.1521739 0.0878576 -0.0000000), wk = 0.0030030 k( 16) = ( 0.1630435 0.0941332 -0.0000000), wk = 0.0030030 k( 17) = ( 0.1739130 0.1004087 -0.0000000), wk = 0.0030030 k( 18) = ( 0.1847826 0.1066843 -0.0000000), wk = 0.0030030 k( 19) = ( 0.1956522 0.1129598 -0.0000000), wk = 0.0030030 k( 20) = ( 0.2065217 0.1192354 -0.0000000), wk = 0.0030030 k( 21) = ( 0.2173913 0.1255109 -0.0000000), wk = 0.0030030 k( 22) = ( 0.2282609 0.1317865 -0.0000000), wk = 0.0030030 k( 23) = ( 0.2391304 0.1380620 -0.0000000), wk = 0.0030030 k( 24) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0030030 k( 25) = ( 0.2608696 0.1506131 -0.0000000), wk = 0.0030030 k( 26) = ( 0.2717391 0.1568887 -0.0000000), wk = 0.0030030 k( 27) = ( 0.2826087 0.1631642 -0.0000000), wk = 0.0030030 k( 28) = ( 0.2934783 0.1694398 -0.0000000), wk = 0.0030030 k( 29) = ( 0.3043478 0.1757153 -0.0000000), wk = 0.0030030 k( 30) = ( 0.3152174 0.1819908 -0.0000000), wk = 0.0030030 k( 31) = ( 0.3260870 0.1882664 -0.0000000), wk = 0.0030030 k( 32) = ( 0.3369565 0.1945419 -0.0000000), wk = 0.0030030 k( 33) = ( 0.3478261 0.2008175 -0.0000000), wk = 0.0030030 k( 34) = ( 0.3586956 0.2070930 -0.0000000), wk = 0.0030030 k( 35) = ( 0.3695652 0.2133686 -0.0000000), wk = 0.0030030 k( 36) = ( 0.3804348 0.2196441 -0.0000000), wk = 0.0030030 k( 37) = ( 0.3913044 0.2259197 -0.0000000), wk = 0.0030030 k( 38) = ( 0.4021739 0.2321952 -0.0000000), wk = 0.0030030 k( 39) = ( 0.4130435 0.2384708 -0.0000000), wk = 0.0030030 k( 40) = ( 0.4239130 0.2447463 -0.0000000), wk = 0.0030030 k( 41) = ( 0.4347826 0.2510219 -0.0000000), wk = 0.0030030 k( 42) = ( 0.4456522 0.2572974 -0.0000000), wk = 0.0030030 k( 43) = ( 0.4565217 0.2635729 -0.0000000), wk = 0.0030030 k( 44) = ( 0.4673913 0.2698485 -0.0000000), wk = 0.0030030 k( 45) = ( 0.4782609 0.2761240 -0.0000000), wk = 0.0030030 k( 46) = ( 0.4891304 0.2823996 -0.0000000), wk = 0.0030030 k( 47) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030030 k( 48) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030030 k( 49) = ( 0.4938272 0.2993668 -0.0000000), wk = 0.0030030 k( 50) = ( 0.4876543 0.3100585 -0.0000000), wk = 0.0030030 k( 51) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0030030 k( 52) = ( 0.4753086 0.3314418 -0.0000000), wk = 0.0030030 k( 53) = ( 0.4691358 0.3421335 -0.0000000), wk = 0.0030030 k( 54) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0030030 k( 55) = ( 0.4567901 0.3635168 -0.0000000), wk = 0.0030030 k( 56) = ( 0.4506173 0.3742085 -0.0000000), wk = 0.0030030 k( 57) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0030030 k( 58) = ( 0.4382716 0.3955918 -0.0000000), wk = 0.0030030 k( 59) = ( 0.4320988 0.4062835 -0.0000000), wk = 0.0030030 k( 60) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0030030 k( 61) = ( 0.4197531 0.4276669 -0.0000000), wk = 0.0030030 k( 62) = ( 0.4135802 0.4383585 -0.0000000), wk = 0.0030030 k( 63) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0030030 k( 64) = ( 0.4012346 0.4597419 -0.0000000), wk = 0.0030030 k( 65) = ( 0.3950617 0.4704335 -0.0000000), wk = 0.0030030 k( 66) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0030030 k( 67) = ( 0.3827160 0.4918169 -0.0000000), wk = 0.0030030 k( 68) = ( 0.3765432 0.5025086 -0.0000000), wk = 0.0030030 k( 69) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0030030 k( 70) = ( 0.3641975 0.5238919 -0.0000000), wk = 0.0030030 k( 71) = ( 0.3580247 0.5345836 -0.0000000), wk = 0.0030030 k( 72) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0030030 k( 73) = ( 0.3456790 0.5559669 -0.0000000), wk = 0.0030030 k( 74) = ( 0.3395062 0.5666586 -0.0000000), wk = 0.0030030 k( 75) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030030 k( 76) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030030 k( 77) = ( 0.3270440 0.5664569 -0.0000000), wk = 0.0030030 k( 78) = ( 0.3207547 0.5555635 -0.0000000), wk = 0.0030030 k( 79) = ( 0.3144654 0.5446701 -0.0000000), wk = 0.0030030 k( 80) = ( 0.3081761 0.5337767 -0.0000000), wk = 0.0030030 k( 81) = ( 0.3018868 0.5228833 -0.0000000), wk = 0.0030030 k( 82) = ( 0.2955975 0.5119899 -0.0000000), wk = 0.0030030 k( 83) = ( 0.2893082 0.5010965 -0.0000000), wk = 0.0030030 k( 84) = ( 0.2830189 0.4902031 -0.0000000), wk = 0.0030030 k( 85) = ( 0.2767296 0.4793097 -0.0000000), wk = 0.0030030 k( 86) = ( 0.2704402 0.4684163 -0.0000000), wk = 0.0030030 k( 87) = ( 0.2641509 0.4575228 -0.0000000), wk = 0.0030030 k( 88) = ( 0.2578616 0.4466295 -0.0000000), wk = 0.0030030 k( 89) = ( 0.2515723 0.4357361 -0.0000000), wk = 0.0030030 k( 90) = ( 0.2452830 0.4248427 -0.0000000), wk = 0.0030030 k( 91) = ( 0.2389937 0.4139492 -0.0000000), wk = 0.0030030 k( 92) = ( 0.2327044 0.4030558 -0.0000000), wk = 0.0030030 k( 93) = ( 0.2264151 0.3921624 -0.0000000), wk = 0.0030030 k( 94) = ( 0.2201258 0.3812691 -0.0000000), wk = 0.0030030 k( 95) = ( 0.2138365 0.3703756 -0.0000000), wk = 0.0030030 k( 96) = ( 0.2075472 0.3594822 -0.0000000), wk = 0.0030030 k( 97) = ( 0.2012579 0.3485888 -0.0000000), wk = 0.0030030 k( 98) = ( 0.1949685 0.3376954 -0.0000000), wk = 0.0030030 k( 99) = ( 0.1886792 0.3268020 -0.0000000), wk = 0.0030030 k( 100) = ( 0.1823899 0.3159086 -0.0000000), wk = 0.0030030 k( 101) = ( 0.1761006 0.3050152 -0.0000000), wk = 0.0030030 k( 102) = ( 0.1698113 0.2941218 -0.0000000), wk = 0.0030030 k( 103) = ( 0.1635220 0.2832284 -0.0000000), wk = 0.0030030 k( 104) = ( 0.1572327 0.2723350 -0.0000000), wk = 0.0030030 k( 105) = ( 0.1509434 0.2614416 -0.0000000), wk = 0.0030030 k( 106) = ( 0.1446541 0.2505482 -0.0000000), wk = 0.0030030 k( 107) = ( 0.1383648 0.2396548 -0.0000000), wk = 0.0030030 k( 108) = ( 0.1320755 0.2287614 -0.0000000), wk = 0.0030030 k( 109) = ( 0.1257862 0.2178680 -0.0000000), wk = 0.0030030 k( 110) = ( 0.1194969 0.2069746 -0.0000000), wk = 0.0030030 k( 111) = ( 0.1132076 0.1960812 -0.0000000), wk = 0.0030030 k( 112) = ( 0.1069182 0.1851878 -0.0000000), wk = 0.0030030 k( 113) = ( 0.1006289 0.1742944 -0.0000000), wk = 0.0030030 k( 114) = ( 0.0943396 0.1634010 -0.0000000), wk = 0.0030030 k( 115) = ( 0.0880503 0.1525076 -0.0000000), wk = 0.0030030 k( 116) = ( 0.0817610 0.1416142 -0.0000000), wk = 0.0030030 k( 117) = ( 0.0754717 0.1307208 -0.0000000), wk = 0.0030030 k( 118) = ( 0.0691824 0.1198274 -0.0000000), wk = 0.0030030 k( 119) = ( 0.0628931 0.1089340 -0.0000000), wk = 0.0030030 k( 120) = ( 0.0566038 0.0980406 -0.0000000), wk = 0.0030030 k( 121) = ( 0.0503145 0.0871472 -0.0000000), wk = 0.0030030 k( 122) = ( 0.0440252 0.0762538 -0.0000000), wk = 0.0030030 k( 123) = ( 0.0377359 0.0653604 -0.0000000), wk = 0.0030030 k( 124) = ( 0.0314465 0.0544670 -0.0000000), wk = 0.0030030 k( 125) = ( 0.0251572 0.0435736 -0.0000000), wk = 0.0030030 k( 126) = ( 0.0188679 0.0326802 -0.0000000), wk = 0.0030030 k( 127) = ( 0.0125786 0.0217868 -0.0000000), wk = 0.0030030 k( 128) = ( 0.0062893 0.0108934 -0.0000000), wk = 0.0030030 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 131) = ( 0.0000000 0.0000000 0.0125641), wk = 0.0030030 k( 132) = ( 0.0000000 0.0000000 0.0251283), wk = 0.0030030 k( 133) = ( 0.0000000 0.0000000 0.0376924), wk = 0.0030030 k( 134) = ( 0.0000000 0.0000000 0.0502566), wk = 0.0030030 k( 135) = ( 0.0000000 0.0000000 0.0628207), wk = 0.0030030 k( 136) = ( 0.0000000 0.0000000 0.0753848), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.0879490), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.1005131), wk = 0.0030030 k( 139) = ( 0.0000000 0.0000000 0.1130773), wk = 0.0030030 k( 140) = ( 0.0000000 0.0000000 0.1256414), wk = 0.0030030 k( 141) = ( 0.0000000 0.0000000 0.1382056), wk = 0.0030030 k( 142) = ( 0.0000000 0.0000000 0.1507697), wk = 0.0030030 k( 143) = ( 0.0000000 0.0000000 0.1633338), wk = 0.0030030 k( 144) = ( 0.0000000 0.0000000 0.1758980), wk = 0.0030030 k( 145) = ( 0.0000000 0.0000000 0.1884621), wk = 0.0030030 k( 146) = ( 0.0000000 0.0000000 0.2010263), wk = 0.0030030 k( 147) = ( 0.0000000 0.0000000 0.2135904), wk = 0.0030030 k( 148) = ( 0.0000000 0.0000000 0.2261545), wk = 0.0030030 k( 149) = ( 0.0000000 0.0000000 0.2387187), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.2512828), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.2638470), wk = 0.0030030 k( 152) = ( 0.0000000 0.0000000 0.2764111), wk = 0.0030030 k( 153) = ( 0.0000000 0.0000000 0.2889753), wk = 0.0030030 k( 154) = ( 0.0000000 0.0000000 0.3015394), wk = 0.0030030 k( 155) = ( 0.0000000 0.0000000 0.3015394), wk = 0.0030030 k( 156) = ( 0.0108696 0.0062755 0.3015394), wk = 0.0030030 k( 157) = ( 0.0217391 0.0125511 0.3015394), wk = 0.0030030 k( 158) = ( 0.0326087 0.0188266 0.3015394), wk = 0.0030030 k( 159) = ( 0.0434783 0.0251022 0.3015394), wk = 0.0030030 k( 160) = ( 0.0543478 0.0313777 0.3015394), wk = 0.0030030 k( 161) = ( 0.0652174 0.0376533 0.3015394), wk = 0.0030030 k( 162) = ( 0.0760870 0.0439288 0.3015394), wk = 0.0030030 k( 163) = ( 0.0869565 0.0502044 0.3015394), wk = 0.0030030 k( 164) = ( 0.0978261 0.0564799 0.3015394), wk = 0.0030030 k( 165) = ( 0.1086957 0.0627555 0.3015394), wk = 0.0030030 k( 166) = ( 0.1195652 0.0690310 0.3015394), wk = 0.0030030 k( 167) = ( 0.1304348 0.0753066 0.3015394), wk = 0.0030030 k( 168) = ( 0.1413043 0.0815821 0.3015394), wk = 0.0030030 k( 169) = ( 0.1521739 0.0878576 0.3015394), wk = 0.0030030 k( 170) = ( 0.1630435 0.0941332 0.3015394), wk = 0.0030030 k( 171) = ( 0.1739130 0.1004087 0.3015394), wk = 0.0030030 k( 172) = ( 0.1847826 0.1066843 0.3015394), wk = 0.0030030 k( 173) = ( 0.1956522 0.1129598 0.3015394), wk = 0.0030030 k( 174) = ( 0.2065217 0.1192354 0.3015394), wk = 0.0030030 k( 175) = ( 0.2173913 0.1255109 0.3015394), wk = 0.0030030 k( 176) = ( 0.2282609 0.1317865 0.3015394), wk = 0.0030030 k( 177) = ( 0.2391304 0.1380620 0.3015394), wk = 0.0030030 k( 178) = ( 0.2500000 0.1443376 0.3015394), wk = 0.0030030 k( 179) = ( 0.2608696 0.1506131 0.3015394), wk = 0.0030030 k( 180) = ( 0.2717391 0.1568887 0.3015394), wk = 0.0030030 k( 181) = ( 0.2826087 0.1631642 0.3015394), wk = 0.0030030 k( 182) = ( 0.2934783 0.1694398 0.3015394), wk = 0.0030030 k( 183) = ( 0.3043478 0.1757153 0.3015394), wk = 0.0030030 k( 184) = ( 0.3152174 0.1819908 0.3015394), wk = 0.0030030 k( 185) = ( 0.3260870 0.1882664 0.3015394), wk = 0.0030030 k( 186) = ( 0.3369565 0.1945419 0.3015394), wk = 0.0030030 k( 187) = ( 0.3478261 0.2008175 0.3015394), wk = 0.0030030 k( 188) = ( 0.3586956 0.2070930 0.3015394), wk = 0.0030030 k( 189) = ( 0.3695652 0.2133686 0.3015394), wk = 0.0030030 k( 190) = ( 0.3804348 0.2196441 0.3015394), wk = 0.0030030 k( 191) = ( 0.3913044 0.2259197 0.3015394), wk = 0.0030030 k( 192) = ( 0.4021739 0.2321952 0.3015394), wk = 0.0030030 k( 193) = ( 0.4130435 0.2384708 0.3015394), wk = 0.0030030 k( 194) = ( 0.4239130 0.2447463 0.3015394), wk = 0.0030030 k( 195) = ( 0.4347826 0.2510219 0.3015394), wk = 0.0030030 k( 196) = ( 0.4456522 0.2572974 0.3015394), wk = 0.0030030 k( 197) = ( 0.4565217 0.2635729 0.3015394), wk = 0.0030030 k( 198) = ( 0.4673913 0.2698485 0.3015394), wk = 0.0030030 k( 199) = ( 0.4782609 0.2761240 0.3015394), wk = 0.0030030 k( 200) = ( 0.4891304 0.2823996 0.3015394), wk = 0.0030030 k( 201) = ( 0.5000000 0.2886751 0.3015394), wk = 0.0030030 k( 202) = ( 0.5000000 0.2886751 0.3015394), wk = 0.0030030 k( 203) = ( 0.4938272 0.2993668 0.3015394), wk = 0.0030030 k( 204) = ( 0.4876543 0.3100585 0.3015394), wk = 0.0030030 k( 205) = ( 0.4814815 0.3207502 0.3015394), wk = 0.0030030 k( 206) = ( 0.4753086 0.3314418 0.3015394), wk = 0.0030030 k( 207) = ( 0.4691358 0.3421335 0.3015394), wk = 0.0030030 k( 208) = ( 0.4629630 0.3528252 0.3015394), wk = 0.0030030 k( 209) = ( 0.4567901 0.3635168 0.3015394), wk = 0.0030030 k( 210) = ( 0.4506173 0.3742085 0.3015394), wk = 0.0030030 k( 211) = ( 0.4444444 0.3849002 0.3015394), wk = 0.0030030 k( 212) = ( 0.4382716 0.3955918 0.3015394), wk = 0.0030030 k( 213) = ( 0.4320988 0.4062835 0.3015394), wk = 0.0030030 k( 214) = ( 0.4259259 0.4169752 0.3015394), wk = 0.0030030 k( 215) = ( 0.4197531 0.4276669 0.3015394), wk = 0.0030030 k( 216) = ( 0.4135802 0.4383585 0.3015394), wk = 0.0030030 k( 217) = ( 0.4074074 0.4490502 0.3015394), wk = 0.0030030 k( 218) = ( 0.4012346 0.4597419 0.3015394), wk = 0.0030030 k( 219) = ( 0.3950617 0.4704335 0.3015394), wk = 0.0030030 k( 220) = ( 0.3888889 0.4811252 0.3015394), wk = 0.0030030 k( 221) = ( 0.3827160 0.4918169 0.3015394), wk = 0.0030030 k( 222) = ( 0.3765432 0.5025086 0.3015394), wk = 0.0030030 k( 223) = ( 0.3703704 0.5132002 0.3015394), wk = 0.0030030 k( 224) = ( 0.3641975 0.5238919 0.3015394), wk = 0.0030030 k( 225) = ( 0.3580247 0.5345836 0.3015394), wk = 0.0030030 k( 226) = ( 0.3518519 0.5452753 0.3015394), wk = 0.0030030 k( 227) = ( 0.3456790 0.5559669 0.3015394), wk = 0.0030030 k( 228) = ( 0.3395062 0.5666586 0.3015394), wk = 0.0030030 k( 229) = ( 0.3333333 0.5773503 0.3015394), wk = 0.0030030 k( 230) = ( 0.3333333 0.5773503 0.3015394), wk = 0.0030030 k( 231) = ( 0.3270440 0.5664569 0.3015394), wk = 0.0030030 k( 232) = ( 0.3207547 0.5555635 0.3015394), wk = 0.0030030 k( 233) = ( 0.3144654 0.5446701 0.3015394), wk = 0.0030030 k( 234) = ( 0.3081761 0.5337767 0.3015394), wk = 0.0030030 k( 235) = ( 0.3018868 0.5228833 0.3015394), wk = 0.0030030 k( 236) = ( 0.2955975 0.5119899 0.3015394), wk = 0.0030030 k( 237) = ( 0.2893082 0.5010965 0.3015394), wk = 0.0030030 k( 238) = ( 0.2830189 0.4902031 0.3015394), wk = 0.0030030 k( 239) = ( 0.2767296 0.4793097 0.3015394), wk = 0.0030030 k( 240) = ( 0.2704402 0.4684163 0.3015394), wk = 0.0030030 k( 241) = ( 0.2641509 0.4575228 0.3015394), wk = 0.0030030 k( 242) = ( 0.2578616 0.4466295 0.3015394), wk = 0.0030030 k( 243) = ( 0.2515723 0.4357361 0.3015394), wk = 0.0030030 k( 244) = ( 0.2452830 0.4248427 0.3015394), wk = 0.0030030 k( 245) = ( 0.2389937 0.4139492 0.3015394), wk = 0.0030030 k( 246) = ( 0.2327044 0.4030558 0.3015394), wk = 0.0030030 k( 247) = ( 0.2264151 0.3921624 0.3015394), wk = 0.0030030 k( 248) = ( 0.2201258 0.3812691 0.3015394), wk = 0.0030030 k( 249) = ( 0.2138365 0.3703756 0.3015394), wk = 0.0030030 k( 250) = ( 0.2075472 0.3594822 0.3015394), wk = 0.0030030 k( 251) = ( 0.2012579 0.3485888 0.3015394), wk = 0.0030030 k( 252) = ( 0.1949685 0.3376954 0.3015394), wk = 0.0030030 k( 253) = ( 0.1886792 0.3268020 0.3015394), wk = 0.0030030 k( 254) = ( 0.1823899 0.3159086 0.3015394), wk = 0.0030030 k( 255) = ( 0.1761006 0.3050152 0.3015394), wk = 0.0030030 k( 256) = ( 0.1698113 0.2941218 0.3015394), wk = 0.0030030 k( 257) = ( 0.1635220 0.2832284 0.3015394), wk = 0.0030030 k( 258) = ( 0.1572327 0.2723350 0.3015394), wk = 0.0030030 k( 259) = ( 0.1509434 0.2614416 0.3015394), wk = 0.0030030 k( 260) = ( 0.1446541 0.2505482 0.3015394), wk = 0.0030030 k( 261) = ( 0.1383648 0.2396548 0.3015394), wk = 0.0030030 k( 262) = ( 0.1320755 0.2287614 0.3015394), wk = 0.0030030 k( 263) = ( 0.1257862 0.2178680 0.3015394), wk = 0.0030030 k( 264) = ( 0.1194969 0.2069746 0.3015394), wk = 0.0030030 k( 265) = ( 0.1132076 0.1960812 0.3015394), wk = 0.0030030 k( 266) = ( 0.1069182 0.1851878 0.3015394), wk = 0.0030030 k( 267) = ( 0.1006289 0.1742944 0.3015394), wk = 0.0030030 k( 268) = ( 0.0943396 0.1634010 0.3015394), wk = 0.0030030 k( 269) = ( 0.0880503 0.1525076 0.3015394), wk = 0.0030030 k( 270) = ( 0.0817610 0.1416142 0.3015394), wk = 0.0030030 k( 271) = ( 0.0754717 0.1307208 0.3015394), wk = 0.0030030 k( 272) = ( 0.0691824 0.1198274 0.3015394), wk = 0.0030030 k( 273) = ( 0.0628931 0.1089340 0.3015394), wk = 0.0030030 k( 274) = ( 0.0566038 0.0980406 0.3015394), wk = 0.0030030 k( 275) = ( 0.0503145 0.0871472 0.3015394), wk = 0.0030030 k( 276) = ( 0.0440252 0.0762538 0.3015394), wk = 0.0030030 k( 277) = ( 0.0377359 0.0653604 0.3015394), wk = 0.0030030 k( 278) = ( 0.0314465 0.0544670 0.3015394), wk = 0.0030030 k( 279) = ( 0.0251572 0.0435736 0.3015394), wk = 0.0030030 k( 280) = ( 0.0188679 0.0326802 0.3015394), wk = 0.0030030 k( 281) = ( 0.0125786 0.0217868 0.3015394), wk = 0.0030030 k( 282) = ( 0.0062893 0.0108934 0.3015394), wk = 0.0030030 k( 283) = ( 0.0000000 0.0000000 0.3015394), wk = 0.0030030 k( 284) = ( 0.5000000 0.2886751 0.3015394), wk = 0.0030030 k( 285) = ( 0.5000000 0.2886751 0.2889753), wk = 0.0030030 k( 286) = ( 0.5000000 0.2886751 0.2764111), wk = 0.0030030 k( 287) = ( 0.5000000 0.2886751 0.2638470), wk = 0.0030030 k( 288) = ( 0.5000000 0.2886751 0.2512828), wk = 0.0030030 k( 289) = ( 0.5000000 0.2886751 0.2387187), wk = 0.0030030 k( 290) = ( 0.5000000 0.2886751 0.2261545), wk = 0.0030030 k( 291) = ( 0.5000000 0.2886751 0.2135904), wk = 0.0030030 k( 292) = ( 0.5000000 0.2886751 0.2010263), wk = 0.0030030 k( 293) = ( 0.5000000 0.2886751 0.1884621), wk = 0.0030030 k( 294) = ( 0.5000000 0.2886751 0.1758980), wk = 0.0030030 k( 295) = ( 0.5000000 0.2886751 0.1633338), wk = 0.0030030 k( 296) = ( 0.5000000 0.2886751 0.1507697), wk = 0.0030030 k( 297) = ( 0.5000000 0.2886751 0.1382056), wk = 0.0030030 k( 298) = ( 0.5000000 0.2886751 0.1256414), wk = 0.0030030 k( 299) = ( 0.5000000 0.2886751 0.1130773), wk = 0.0030030 k( 300) = ( 0.5000000 0.2886751 0.1005131), wk = 0.0030030 k( 301) = ( 0.5000000 0.2886751 0.0879490), wk = 0.0030030 k( 302) = ( 0.5000000 0.2886751 0.0753848), wk = 0.0030030 k( 303) = ( 0.5000000 0.2886751 0.0628207), wk = 0.0030030 k( 304) = ( 0.5000000 0.2886751 0.0502566), wk = 0.0030030 k( 305) = ( 0.5000000 0.2886751 0.0376924), wk = 0.0030030 k( 306) = ( 0.5000000 0.2886751 0.0251283), wk = 0.0030030 k( 307) = ( 0.5000000 0.2886751 0.0125641), wk = 0.0030030 k( 308) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0030030 k( 309) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0030030 k( 310) = ( 0.3333333 0.5773503 0.0125641), wk = 0.0030030 k( 311) = ( 0.3333333 0.5773503 0.0251283), wk = 0.0030030 k( 312) = ( 0.3333333 0.5773503 0.0376924), wk = 0.0030030 k( 313) = ( 0.3333333 0.5773503 0.0502566), wk = 0.0030030 k( 314) = ( 0.3333333 0.5773503 0.0628207), wk = 0.0030030 k( 315) = ( 0.3333333 0.5773503 0.0753848), wk = 0.0030030 k( 316) = ( 0.3333333 0.5773503 0.0879490), wk = 0.0030030 k( 317) = ( 0.3333333 0.5773503 0.1005131), wk = 0.0030030 k( 318) = ( 0.3333333 0.5773503 0.1130773), wk = 0.0030030 k( 319) = ( 0.3333333 0.5773503 0.1256414), wk = 0.0030030 k( 320) = ( 0.3333333 0.5773503 0.1382056), wk = 0.0030030 k( 321) = ( 0.3333333 0.5773503 0.1507697), wk = 0.0030030 k( 322) = ( 0.3333333 0.5773503 0.1633338), wk = 0.0030030 k( 323) = ( 0.3333333 0.5773503 0.1758980), wk = 0.0030030 k( 324) = ( 0.3333333 0.5773503 0.1884621), wk = 0.0030030 k( 325) = ( 0.3333333 0.5773503 0.2010263), wk = 0.0030030 k( 326) = ( 0.3333333 0.5773503 0.2135904), wk = 0.0030030 k( 327) = ( 0.3333333 0.5773503 0.2261545), wk = 0.0030030 k( 328) = ( 0.3333333 0.5773503 0.2387187), wk = 0.0030030 k( 329) = ( 0.3333333 0.5773503 0.2512828), wk = 0.0030030 k( 330) = ( 0.3333333 0.5773503 0.2638470), wk = 0.0030030 k( 331) = ( 0.3333333 0.5773503 0.2764111), wk = 0.0030030 k( 332) = ( 0.3333333 0.5773503 0.2889753), wk = 0.0030030 k( 333) = ( 0.3333333 0.5773503 0.3015394), wk = 0.0030030 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 2) = ( 0.0108696 0.0000000 0.0000000), wk = 0.0030030 k( 3) = ( 0.0217391 0.0000000 0.0000000), wk = 0.0030030 k( 4) = ( 0.0326087 0.0000000 0.0000000), wk = 0.0030030 k( 5) = ( 0.0434783 0.0000000 0.0000000), wk = 0.0030030 k( 6) = ( 0.0543478 0.0000000 0.0000000), wk = 0.0030030 k( 7) = ( 0.0652174 0.0000000 0.0000000), wk = 0.0030030 k( 8) = ( 0.0760870 0.0000000 0.0000000), wk = 0.0030030 k( 9) = ( 0.0869565 0.0000000 0.0000000), wk = 0.0030030 k( 10) = ( 0.0978261 0.0000000 0.0000000), wk = 0.0030030 k( 11) = ( 0.1086957 0.0000000 0.0000000), wk = 0.0030030 k( 12) = ( 0.1195652 0.0000000 0.0000000), wk = 0.0030030 k( 13) = ( 0.1304348 0.0000000 0.0000000), wk = 0.0030030 k( 14) = ( 0.1413043 0.0000000 0.0000000), wk = 0.0030030 k( 15) = ( 0.1521739 0.0000000 0.0000000), wk = 0.0030030 k( 16) = ( 0.1630435 0.0000000 0.0000000), wk = 0.0030030 k( 17) = ( 0.1739130 0.0000000 0.0000000), wk = 0.0030030 k( 18) = ( 0.1847826 0.0000000 0.0000000), wk = 0.0030030 k( 19) = ( 0.1956522 0.0000000 0.0000000), wk = 0.0030030 k( 20) = ( 0.2065217 0.0000000 0.0000000), wk = 0.0030030 k( 21) = ( 0.2173913 0.0000000 0.0000000), wk = 0.0030030 k( 22) = ( 0.2282609 0.0000000 0.0000000), wk = 0.0030030 k( 23) = ( 0.2391304 0.0000000 0.0000000), wk = 0.0030030 k( 24) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0030030 k( 25) = ( 0.2608696 0.0000000 0.0000000), wk = 0.0030030 k( 26) = ( 0.2717391 0.0000000 0.0000000), wk = 0.0030030 k( 27) = ( 0.2826087 0.0000000 0.0000000), wk = 0.0030030 k( 28) = ( 0.2934783 0.0000000 0.0000000), wk = 0.0030030 k( 29) = ( 0.3043478 0.0000000 0.0000000), wk = 0.0030030 k( 30) = ( 0.3152174 0.0000000 0.0000000), wk = 0.0030030 k( 31) = ( 0.3260870 0.0000000 0.0000000), wk = 0.0030030 k( 32) = ( 0.3369565 0.0000000 0.0000000), wk = 0.0030030 k( 33) = ( 0.3478261 0.0000000 0.0000000), wk = 0.0030030 k( 34) = ( 0.3586956 0.0000000 0.0000000), wk = 0.0030030 k( 35) = ( 0.3695652 0.0000000 0.0000000), wk = 0.0030030 k( 36) = ( 0.3804348 0.0000000 0.0000000), wk = 0.0030030 k( 37) = ( 0.3913044 0.0000000 0.0000000), wk = 0.0030030 k( 38) = ( 0.4021739 0.0000000 0.0000000), wk = 0.0030030 k( 39) = ( 0.4130435 0.0000000 0.0000000), wk = 0.0030030 k( 40) = ( 0.4239130 0.0000000 0.0000000), wk = 0.0030030 k( 41) = ( 0.4347826 0.0000000 0.0000000), wk = 0.0030030 k( 42) = ( 0.4456522 0.0000000 0.0000000), wk = 0.0030030 k( 43) = ( 0.4565217 0.0000000 0.0000000), wk = 0.0030030 k( 44) = ( 0.4673913 0.0000000 0.0000000), wk = 0.0030030 k( 45) = ( 0.4782609 0.0000000 0.0000000), wk = 0.0030030 k( 46) = ( 0.4891304 0.0000000 0.0000000), wk = 0.0030030 k( 47) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030030 k( 48) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030030 k( 49) = ( 0.4938272 0.0123457 0.0000000), wk = 0.0030030 k( 50) = ( 0.4876543 0.0246914 0.0000000), wk = 0.0030030 k( 51) = ( 0.4814815 0.0370370 0.0000000), wk = 0.0030030 k( 52) = ( 0.4753086 0.0493827 0.0000000), wk = 0.0030030 k( 53) = ( 0.4691358 0.0617284 0.0000000), wk = 0.0030030 k( 54) = ( 0.4629630 0.0740741 0.0000000), wk = 0.0030030 k( 55) = ( 0.4567901 0.0864198 0.0000000), wk = 0.0030030 k( 56) = ( 0.4506173 0.0987654 0.0000000), wk = 0.0030030 k( 57) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0030030 k( 58) = ( 0.4382716 0.1234568 0.0000000), wk = 0.0030030 k( 59) = ( 0.4320988 0.1358025 0.0000000), wk = 0.0030030 k( 60) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0030030 k( 61) = ( 0.4197531 0.1604938 0.0000000), wk = 0.0030030 k( 62) = ( 0.4135802 0.1728395 0.0000000), wk = 0.0030030 k( 63) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0030030 k( 64) = ( 0.4012346 0.1975309 0.0000000), wk = 0.0030030 k( 65) = ( 0.3950617 0.2098765 0.0000000), wk = 0.0030030 k( 66) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0030030 k( 67) = ( 0.3827160 0.2345679 0.0000000), wk = 0.0030030 k( 68) = ( 0.3765432 0.2469136 0.0000000), wk = 0.0030030 k( 69) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0030030 k( 70) = ( 0.3641975 0.2716049 0.0000000), wk = 0.0030030 k( 71) = ( 0.3580247 0.2839506 0.0000000), wk = 0.0030030 k( 72) = ( 0.3518519 0.2962963 0.0000000), wk = 0.0030030 k( 73) = ( 0.3456790 0.3086420 -0.0000000), wk = 0.0030030 k( 74) = ( 0.3395062 0.3209877 0.0000000), wk = 0.0030030 k( 75) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030030 k( 76) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030030 k( 77) = ( 0.3270440 0.3270440 0.0000000), wk = 0.0030030 k( 78) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0030030 k( 79) = ( 0.3144654 0.3144654 0.0000000), wk = 0.0030030 k( 80) = ( 0.3081761 0.3081761 -0.0000000), wk = 0.0030030 k( 81) = ( 0.3018868 0.3018868 0.0000000), wk = 0.0030030 k( 82) = ( 0.2955975 0.2955975 0.0000000), wk = 0.0030030 k( 83) = ( 0.2893082 0.2893082 -0.0000000), wk = 0.0030030 k( 84) = ( 0.2830189 0.2830189 0.0000000), wk = 0.0030030 k( 85) = ( 0.2767296 0.2767296 0.0000000), wk = 0.0030030 k( 86) = ( 0.2704402 0.2704403 0.0000000), wk = 0.0030030 k( 87) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0030030 k( 88) = ( 0.2578616 0.2578616 0.0000000), wk = 0.0030030 k( 89) = ( 0.2515723 0.2515723 0.0000000), wk = 0.0030030 k( 90) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0030030 k( 91) = ( 0.2389937 0.2389937 0.0000000), wk = 0.0030030 k( 92) = ( 0.2327044 0.2327044 0.0000000), wk = 0.0030030 k( 93) = ( 0.2264151 0.2264151 0.0000000), wk = 0.0030030 k( 94) = ( 0.2201258 0.2201258 0.0000000), wk = 0.0030030 k( 95) = ( 0.2138365 0.2138365 0.0000000), wk = 0.0030030 k( 96) = ( 0.2075472 0.2075472 0.0000000), wk = 0.0030030 k( 97) = ( 0.2012579 0.2012579 0.0000000), wk = 0.0030030 k( 98) = ( 0.1949685 0.1949686 0.0000000), wk = 0.0030030 k( 99) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0030030 k( 100) = ( 0.1823899 0.1823899 0.0000000), wk = 0.0030030 k( 101) = ( 0.1761006 0.1761006 0.0000000), wk = 0.0030030 k( 102) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0030030 k( 103) = ( 0.1635220 0.1635220 0.0000000), wk = 0.0030030 k( 104) = ( 0.1572327 0.1572327 0.0000000), wk = 0.0030030 k( 105) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0030030 k( 106) = ( 0.1446541 0.1446541 -0.0000000), wk = 0.0030030 k( 107) = ( 0.1383648 0.1383648 0.0000000), wk = 0.0030030 k( 108) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0030030 k( 109) = ( 0.1257862 0.1257862 0.0000000), wk = 0.0030030 k( 110) = ( 0.1194969 0.1194969 0.0000000), wk = 0.0030030 k( 111) = ( 0.1132076 0.1132076 0.0000000), wk = 0.0030030 k( 112) = ( 0.1069182 0.1069182 0.0000000), wk = 0.0030030 k( 113) = ( 0.1006289 0.1006289 0.0000000), wk = 0.0030030 k( 114) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0030030 k( 115) = ( 0.0880503 0.0880503 0.0000000), wk = 0.0030030 k( 116) = ( 0.0817610 0.0817610 0.0000000), wk = 0.0030030 k( 117) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0030030 k( 118) = ( 0.0691824 0.0691824 0.0000000), wk = 0.0030030 k( 119) = ( 0.0628931 0.0628931 0.0000000), wk = 0.0030030 k( 120) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0030030 k( 121) = ( 0.0503145 0.0503145 0.0000000), wk = 0.0030030 k( 122) = ( 0.0440252 0.0440252 0.0000000), wk = 0.0030030 k( 123) = ( 0.0377359 0.0377359 -0.0000000), wk = 0.0030030 k( 124) = ( 0.0314465 0.0314465 0.0000000), wk = 0.0030030 k( 125) = ( 0.0251572 0.0251572 0.0000000), wk = 0.0030030 k( 126) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0030030 k( 127) = ( 0.0125786 0.0125786 0.0000000), wk = 0.0030030 k( 128) = ( 0.0062893 0.0062893 0.0000000), wk = 0.0030030 k( 129) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 130) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030030 k( 131) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0030030 k( 132) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0030030 k( 133) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0030030 k( 134) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0030030 k( 135) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0030030 k( 136) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0030030 k( 137) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0030030 k( 138) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0030030 k( 139) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0030030 k( 140) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0030030 k( 141) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0030030 k( 142) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0030030 k( 143) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0030030 k( 144) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0030030 k( 145) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0030030 k( 146) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0030030 k( 147) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0030030 k( 148) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0030030 k( 149) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0030030 k( 150) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0030030 k( 151) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0030030 k( 152) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0030030 k( 153) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0030030 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 156) = ( 0.0108696 0.0000000 0.5000000), wk = 0.0030030 k( 157) = ( 0.0217391 0.0000000 0.5000000), wk = 0.0030030 k( 158) = ( 0.0326087 0.0000000 0.5000000), wk = 0.0030030 k( 159) = ( 0.0434783 0.0000000 0.5000000), wk = 0.0030030 k( 160) = ( 0.0543478 0.0000000 0.5000000), wk = 0.0030030 k( 161) = ( 0.0652174 0.0000000 0.5000000), wk = 0.0030030 k( 162) = ( 0.0760870 0.0000000 0.5000000), wk = 0.0030030 k( 163) = ( 0.0869565 0.0000000 0.5000000), wk = 0.0030030 k( 164) = ( 0.0978261 0.0000000 0.5000000), wk = 0.0030030 k( 165) = ( 0.1086957 0.0000000 0.5000000), wk = 0.0030030 k( 166) = ( 0.1195652 0.0000000 0.5000000), wk = 0.0030030 k( 167) = ( 0.1304348 0.0000000 0.5000000), wk = 0.0030030 k( 168) = ( 0.1413043 0.0000000 0.5000000), wk = 0.0030030 k( 169) = ( 0.1521739 0.0000000 0.5000000), wk = 0.0030030 k( 170) = ( 0.1630435 0.0000000 0.5000000), wk = 0.0030030 k( 171) = ( 0.1739130 0.0000000 0.5000000), wk = 0.0030030 k( 172) = ( 0.1847826 0.0000000 0.5000000), wk = 0.0030030 k( 173) = ( 0.1956522 0.0000000 0.5000000), wk = 0.0030030 k( 174) = ( 0.2065217 0.0000000 0.5000000), wk = 0.0030030 k( 175) = ( 0.2173913 0.0000000 0.5000000), wk = 0.0030030 k( 176) = ( 0.2282609 0.0000000 0.5000000), wk = 0.0030030 k( 177) = ( 0.2391304 0.0000000 0.5000000), wk = 0.0030030 k( 178) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0030030 k( 179) = ( 0.2608696 0.0000000 0.5000000), wk = 0.0030030 k( 180) = ( 0.2717391 0.0000000 0.5000000), wk = 0.0030030 k( 181) = ( 0.2826087 0.0000000 0.5000000), wk = 0.0030030 k( 182) = ( 0.2934783 0.0000000 0.5000000), wk = 0.0030030 k( 183) = ( 0.3043478 0.0000000 0.5000000), wk = 0.0030030 k( 184) = ( 0.3152174 0.0000000 0.5000000), wk = 0.0030030 k( 185) = ( 0.3260870 0.0000000 0.5000000), wk = 0.0030030 k( 186) = ( 0.3369565 0.0000000 0.5000000), wk = 0.0030030 k( 187) = ( 0.3478261 0.0000000 0.5000000), wk = 0.0030030 k( 188) = ( 0.3586956 0.0000000 0.5000000), wk = 0.0030030 k( 189) = ( 0.3695652 0.0000000 0.5000000), wk = 0.0030030 k( 190) = ( 0.3804348 0.0000000 0.5000000), wk = 0.0030030 k( 191) = ( 0.3913044 0.0000000 0.5000000), wk = 0.0030030 k( 192) = ( 0.4021739 0.0000000 0.5000000), wk = 0.0030030 k( 193) = ( 0.4130435 0.0000000 0.5000000), wk = 0.0030030 k( 194) = ( 0.4239130 0.0000000 0.5000000), wk = 0.0030030 k( 195) = ( 0.4347826 0.0000000 0.5000000), wk = 0.0030030 k( 196) = ( 0.4456522 0.0000000 0.5000000), wk = 0.0030030 k( 197) = ( 0.4565217 0.0000000 0.5000000), wk = 0.0030030 k( 198) = ( 0.4673913 0.0000000 0.5000000), wk = 0.0030030 k( 199) = ( 0.4782609 0.0000000 0.5000000), wk = 0.0030030 k( 200) = ( 0.4891304 0.0000000 0.5000000), wk = 0.0030030 k( 201) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 202) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 203) = ( 0.4938272 0.0123457 0.5000000), wk = 0.0030030 k( 204) = ( 0.4876543 0.0246914 0.5000000), wk = 0.0030030 k( 205) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0030030 k( 206) = ( 0.4753086 0.0493827 0.5000000), wk = 0.0030030 k( 207) = ( 0.4691358 0.0617284 0.5000000), wk = 0.0030030 k( 208) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0030030 k( 209) = ( 0.4567901 0.0864198 0.5000000), wk = 0.0030030 k( 210) = ( 0.4506173 0.0987654 0.5000000), wk = 0.0030030 k( 211) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0030030 k( 212) = ( 0.4382716 0.1234568 0.5000000), wk = 0.0030030 k( 213) = ( 0.4320988 0.1358025 0.5000000), wk = 0.0030030 k( 214) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0030030 k( 215) = ( 0.4197531 0.1604938 0.5000000), wk = 0.0030030 k( 216) = ( 0.4135802 0.1728395 0.5000000), wk = 0.0030030 k( 217) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0030030 k( 218) = ( 0.4012346 0.1975309 0.5000000), wk = 0.0030030 k( 219) = ( 0.3950617 0.2098765 0.5000000), wk = 0.0030030 k( 220) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0030030 k( 221) = ( 0.3827160 0.2345679 0.5000000), wk = 0.0030030 k( 222) = ( 0.3765432 0.2469136 0.5000000), wk = 0.0030030 k( 223) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0030030 k( 224) = ( 0.3641975 0.2716049 0.5000000), wk = 0.0030030 k( 225) = ( 0.3580247 0.2839506 0.5000000), wk = 0.0030030 k( 226) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0030030 k( 227) = ( 0.3456790 0.3086420 0.5000000), wk = 0.0030030 k( 228) = ( 0.3395062 0.3209877 0.5000000), wk = 0.0030030 k( 229) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030030 k( 230) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030030 k( 231) = ( 0.3270440 0.3270440 0.5000000), wk = 0.0030030 k( 232) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0030030 k( 233) = ( 0.3144654 0.3144654 0.5000000), wk = 0.0030030 k( 234) = ( 0.3081761 0.3081761 0.5000000), wk = 0.0030030 k( 235) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0030030 k( 236) = ( 0.2955975 0.2955975 0.5000000), wk = 0.0030030 k( 237) = ( 0.2893082 0.2893082 0.5000000), wk = 0.0030030 k( 238) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0030030 k( 239) = ( 0.2767296 0.2767296 0.5000000), wk = 0.0030030 k( 240) = ( 0.2704402 0.2704403 0.5000000), wk = 0.0030030 k( 241) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0030030 k( 242) = ( 0.2578616 0.2578616 0.5000000), wk = 0.0030030 k( 243) = ( 0.2515723 0.2515723 0.5000000), wk = 0.0030030 k( 244) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0030030 k( 245) = ( 0.2389937 0.2389937 0.5000000), wk = 0.0030030 k( 246) = ( 0.2327044 0.2327044 0.5000000), wk = 0.0030030 k( 247) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0030030 k( 248) = ( 0.2201258 0.2201258 0.5000000), wk = 0.0030030 k( 249) = ( 0.2138365 0.2138365 0.5000000), wk = 0.0030030 k( 250) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0030030 k( 251) = ( 0.2012579 0.2012579 0.5000000), wk = 0.0030030 k( 252) = ( 0.1949685 0.1949686 0.5000000), wk = 0.0030030 k( 253) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0030030 k( 254) = ( 0.1823899 0.1823899 0.5000000), wk = 0.0030030 k( 255) = ( 0.1761006 0.1761006 0.5000000), wk = 0.0030030 k( 256) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0030030 k( 257) = ( 0.1635220 0.1635220 0.5000000), wk = 0.0030030 k( 258) = ( 0.1572327 0.1572327 0.5000000), wk = 0.0030030 k( 259) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0030030 k( 260) = ( 0.1446541 0.1446541 0.5000000), wk = 0.0030030 k( 261) = ( 0.1383648 0.1383648 0.5000000), wk = 0.0030030 k( 262) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0030030 k( 263) = ( 0.1257862 0.1257862 0.5000000), wk = 0.0030030 k( 264) = ( 0.1194969 0.1194969 0.5000000), wk = 0.0030030 k( 265) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0030030 k( 266) = ( 0.1069182 0.1069182 0.5000000), wk = 0.0030030 k( 267) = ( 0.1006289 0.1006289 0.5000000), wk = 0.0030030 k( 268) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0030030 k( 269) = ( 0.0880503 0.0880503 0.5000000), wk = 0.0030030 k( 270) = ( 0.0817610 0.0817610 0.5000000), wk = 0.0030030 k( 271) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0030030 k( 272) = ( 0.0691824 0.0691824 0.5000000), wk = 0.0030030 k( 273) = ( 0.0628931 0.0628931 0.5000000), wk = 0.0030030 k( 274) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0030030 k( 275) = ( 0.0503145 0.0503145 0.5000000), wk = 0.0030030 k( 276) = ( 0.0440252 0.0440252 0.5000000), wk = 0.0030030 k( 277) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0030030 k( 278) = ( 0.0314465 0.0314465 0.5000000), wk = 0.0030030 k( 279) = ( 0.0251572 0.0251572 0.5000000), wk = 0.0030030 k( 280) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0030030 k( 281) = ( 0.0125786 0.0125786 0.5000000), wk = 0.0030030 k( 282) = ( 0.0062893 0.0062893 0.5000000), wk = 0.0030030 k( 283) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030030 k( 284) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0030030 k( 285) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0030030 k( 286) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0030030 k( 287) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0030030 k( 288) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0030030 k( 289) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0030030 k( 290) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0030030 k( 291) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0030030 k( 292) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0030030 k( 293) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0030030 k( 294) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0030030 k( 295) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0030030 k( 296) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0030030 k( 297) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0030030 k( 298) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0030030 k( 299) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0030030 k( 300) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0030030 k( 301) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0030030 k( 302) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0030030 k( 303) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0030030 k( 304) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0030030 k( 305) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0030030 k( 306) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0030030 k( 307) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0030030 k( 308) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030030 k( 309) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0030030 k( 310) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0030030 k( 311) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0030030 k( 312) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0030030 k( 313) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0030030 k( 314) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0030030 k( 315) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0030030 k( 316) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0030030 k( 317) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0030030 k( 318) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0030030 k( 319) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0030030 k( 320) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0030030 k( 321) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0030030 k( 322) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0030030 k( 323) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0030030 k( 324) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0030030 k( 325) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0030030 k( 326) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0030030 k( 327) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0030030 k( 328) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0030030 k( 329) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0030030 k( 330) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0030030 k( 331) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0030030 k( 332) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0030030 k( 333) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0030030 Dense grid: 47839 G-vectors FFT dimensions: ( 40, 40, 72) Smooth grid: 25139 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.10 Mb ( 150, 44) NL pseudopotentials 0.11 Mb ( 75, 96) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 1003) G-vector shells 0.00 Mb ( 491) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.40 Mb ( 150, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./ZnSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.8 secs Computing kpt #: 2 total cpu time spent up to now is 43.0 secs Computing kpt #: 3 total cpu time spent up to now is 44.0 secs Computing kpt #: 4 total cpu time spent up to now is 45.0 secs Computing kpt #: 5 total cpu time spent up to now is 46.0 secs Computing kpt #: 6 total cpu time spent up to now is 47.0 secs Computing kpt #: 7 total cpu time spent up to now is 48.0 secs Computing kpt #: 8 total cpu time spent up to now is 49.0 secs Computing kpt #: 9 total cpu time spent up to now is 50.0 secs Computing kpt #: 10 total cpu time spent up to now is 51.0 secs Computing kpt #: 11 total cpu time spent up to now is 52.0 secs Computing kpt #: 12 total cpu time spent up to now is 53.3 secs Computing kpt #: 13 total cpu time spent up to now is 54.4 secs Computing kpt #: 14 total cpu time spent up to now is 55.5 secs Computing kpt #: 15 total cpu time spent up to now is 56.9 secs Computing kpt #: 16 total cpu time spent up to now is 58.1 secs Computing kpt #: 17 total cpu time spent up to now is 59.8 secs Computing kpt #: 18 total cpu time spent up to now is 60.9 secs Computing kpt #: 19 total cpu time spent up to now is 61.9 secs Computing kpt #: 20 total cpu time spent up to now is 63.0 secs Computing kpt #: 21 total cpu time spent up to now is 64.0 secs Computing kpt #: 22 total cpu time spent up to now is 65.4 secs Computing kpt #: 23 total cpu time spent up to now is 66.4 secs Computing kpt #: 24 total cpu time spent up to now is 67.8 secs Computing kpt #: 25 total cpu time spent up to now is 68.8 secs Computing kpt #: 26 total cpu time spent up to now is 69.9 secs Computing kpt #: 27 total cpu time spent up to now is 71.3 secs Computing kpt #: 28 total cpu time spent up to now is 72.3 secs Computing kpt #: 29 total cpu time spent up to now is 73.5 secs Computing kpt #: 30 total cpu time spent up to now is 74.6 secs Computing kpt #: 31 total cpu time spent up to now is 75.8 secs Computing kpt #: 32 total cpu time spent up to now is 76.9 secs Computing kpt #: 33 total cpu time spent up to now is 78.0 secs Computing kpt #: 34 total cpu time spent up to now is 79.0 secs Computing kpt #: 35 total cpu time spent up to now is 80.3 secs Computing kpt #: 36 total cpu time spent up to now is 81.6 secs Computing kpt #: 37 total cpu time spent up to now is 83.3 secs Computing kpt #: 38 total cpu time spent up to now is 84.9 secs Computing kpt #: 39 total cpu time spent up to now is 86.9 secs Computing kpt #: 40 total cpu time spent up to now is 89.7 secs Computing kpt #: 41 total cpu time spent up to now is 91.9 secs Computing kpt #: 42 total cpu time spent up to now is 94.1 secs Computing kpt #: 43 total cpu time spent up to now is 95.6 secs Computing kpt #: 44 total cpu time spent up to now is 97.0 secs Computing kpt #: 45 total cpu time spent up to now is 98.7 secs Computing kpt #: 46 total cpu time spent up to now is 101.0 secs Computing kpt #: 47 total cpu time spent up to now is 102.5 secs Computing kpt #: 48 total cpu time spent up to now is 103.9 secs Computing kpt #: 49 total cpu time spent up to now is 105.5 secs Computing kpt #: 50 total cpu time spent up to now is 106.9 secs Computing kpt #: 51 total cpu time spent up to now is 108.4 secs Computing kpt #: 52 total cpu time spent up to now is 109.8 secs Computing kpt #: 53 total cpu time spent up to now is 111.2 secs Computing kpt #: 54 total cpu time spent up to now is 112.5 secs Computing kpt #: 55 total cpu time spent up to now is 114.1 secs Computing kpt #: 56 total cpu time spent up to now is 115.6 secs Computing kpt #: 57 total cpu time spent up to now is 117.1 secs Computing kpt #: 58 total cpu time spent up to now is 118.6 secs Computing kpt #: 59 total cpu time spent up to now is 119.9 secs Computing kpt #: 60 total cpu time spent up to now is 121.3 secs Computing kpt #: 61 total cpu time spent up to now is 122.6 secs Computing kpt #: 62 total cpu time spent up to now is 124.0 secs Computing kpt #: 63 total cpu time spent up to now is 125.7 secs Computing kpt #: 64 total cpu time spent up to now is 127.3 secs Computing kpt #: 65 total cpu time spent up to now is 128.7 secs Computing kpt #: 66 total cpu time spent up to now is 130.6 secs Computing kpt #: 67 total cpu time spent up to now is 132.0 secs Computing kpt #: 68 total cpu time spent up to now is 133.4 secs Computing kpt #: 69 total cpu time spent up to now is 134.5 secs Computing kpt #: 70 total cpu time spent up to now is 136.4 secs Computing kpt #: 71 total cpu time spent up to now is 137.8 secs Computing kpt #: 72 total cpu time spent up to now is 139.5 secs Computing kpt #: 73 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.1 secs Computing kpt #: 74 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 145.0 secs Computing kpt #: 75 total cpu time spent up to now is 147.6 secs Computing kpt #: 76 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.2 secs Computing kpt #: 77 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 152.9 secs Computing kpt #: 78 total cpu time spent up to now is 156.1 secs Computing kpt #: 79 total cpu time spent up to now is 159.3 secs Computing kpt #: 80 total cpu time spent up to now is 161.4 secs Computing kpt #: 81 total cpu time spent up to now is 162.9 secs Computing kpt #: 82 total cpu time spent up to now is 164.4 secs Computing kpt #: 83 total cpu time spent up to now is 165.8 secs Computing kpt #: 84 total cpu time spent up to now is 166.9 secs Computing kpt #: 85 total cpu time spent up to now is 168.0 secs Computing kpt #: 86 total cpu time spent up to now is 169.1 secs Computing kpt #: 87 total cpu time spent up to now is 170.1 secs Computing kpt #: 88 total cpu time spent up to now is 171.1 secs Computing kpt #: 89 total cpu time spent up to now is 172.5 secs Computing kpt #: 90 total cpu time spent up to now is 173.7 secs Computing kpt #: 91 total cpu time spent up to now is 174.7 secs Computing kpt #: 92 total cpu time spent up to now is 176.2 secs Computing kpt #: 93 total cpu time spent up to now is 177.6 secs Computing kpt #: 94 total cpu time spent up to now is 178.6 secs Computing kpt #: 95 total cpu time spent up to now is 179.5 secs Computing kpt #: 96 total cpu time spent up to now is 180.5 secs Computing kpt #: 97 total cpu time spent up to now is 181.6 secs Computing kpt #: 98 total cpu time spent up to now is 182.7 secs Computing kpt #: 99 total cpu time spent up to now is 183.7 secs Computing kpt #: 100 total cpu time spent up to now is 184.8 secs Computing kpt #: 101 total cpu time spent up to now is 185.8 secs Computing kpt #: 102 total cpu time spent up to now is 186.8 secs Computing kpt #: 103 total cpu time spent up to now is 188.1 secs Computing kpt #: 104 total cpu time spent up to now is 189.1 secs Computing kpt #: 105 total cpu time spent up to now is 190.3 secs Computing kpt #: 106 total cpu time spent up to now is 191.3 secs Computing kpt #: 107 total cpu time spent up to now is 192.4 secs Computing kpt #: 108 total cpu time spent up to now is 193.4 secs Computing kpt #: 109 total cpu time spent up to now is 194.5 secs Computing kpt #: 110 total cpu time spent up to now is 195.4 secs Computing kpt #: 111 total cpu time spent up to now is 196.4 secs Computing kpt #: 112 total cpu time spent up to now is 197.3 secs Computing kpt #: 113 total cpu time spent up to now is 198.4 secs Computing kpt #: 114 total cpu time spent up to now is 199.4 secs Computing kpt #: 115 total cpu time spent up to now is 200.4 secs Computing kpt #: 116 total cpu time spent up to now is 201.6 secs Computing kpt #: 117 total cpu time spent up to now is 202.6 secs Computing kpt #: 118 total cpu time spent up to now is 203.6 secs Computing kpt #: 119 total cpu time spent up to now is 204.6 secs Computing kpt #: 120 total cpu time spent up to now is 205.7 secs Computing kpt #: 121 total cpu time spent up to now is 206.7 secs Computing kpt #: 122 total cpu time spent up to now is 207.9 secs Computing kpt #: 123 total cpu time spent up to now is 209.0 secs Computing kpt #: 124 total cpu time spent up to now is 210.0 secs Computing kpt #: 125 total cpu time spent up to now is 211.0 secs Computing kpt #: 126 total cpu time spent up to now is 212.0 secs Computing kpt #: 127 total cpu time spent up to now is 213.4 secs Computing kpt #: 128 total cpu time spent up to now is 214.8 secs Computing kpt #: 129 total cpu time spent up to now is 215.8 secs Computing kpt #: 130 total cpu time spent up to now is 216.7 secs Computing kpt #: 131 total cpu time spent up to now is 217.6 secs Computing kpt #: 132 total cpu time spent up to now is 218.7 secs Computing kpt #: 133 total cpu time spent up to now is 220.0 secs Computing kpt #: 134 total cpu time spent up to now is 221.6 secs Computing kpt #: 135 total cpu time spent up to now is 223.4 secs Computing kpt #: 136 total cpu time spent up to now is 224.6 secs Computing kpt #: 137 total cpu time spent up to now is 226.1 secs Computing kpt #: 138 total cpu time spent up to now is 227.9 secs Computing kpt #: 139 total cpu time spent up to now is 229.0 secs Computing kpt #: 140 total cpu time spent up to now is 230.0 secs Computing kpt #: 141 total cpu time spent up to now is 231.6 secs Computing kpt #: 142 total cpu time spent up to now is 232.7 secs Computing kpt #: 143 total cpu time spent up to now is 234.0 secs Computing kpt #: 144 total cpu time spent up to now is 235.0 secs Computing kpt #: 145 total cpu time spent up to now is 237.0 secs Computing kpt #: 146 total cpu time spent up to now is 238.1 secs Computing kpt #: 147 total cpu time spent up to now is 239.2 secs Computing kpt #: 148 total cpu time spent up to now is 240.4 secs Computing kpt #: 149 total cpu time spent up to now is 241.6 secs Computing kpt #: 150 total cpu time spent up to now is 242.6 secs Computing kpt #: 151 total cpu time spent up to now is 243.6 secs Computing kpt #: 152 total cpu time spent up to now is 245.0 secs Computing kpt #: 153 total cpu time spent up to now is 247.0 secs Computing kpt #: 154 total cpu time spent up to now is 248.2 secs Computing kpt #: 155 total cpu time spent up to now is 249.4 secs Computing kpt #: 156 total cpu time spent up to now is 250.7 secs Computing kpt #: 157 total cpu time spent up to now is 252.0 secs Computing kpt #: 158 total cpu time spent up to now is 253.3 secs Computing kpt #: 159 total cpu time spent up to now is 254.3 secs Computing kpt #: 160 total cpu time spent up to now is 255.3 secs Computing kpt #: 161 total cpu time spent up to now is 256.3 secs Computing kpt #: 162 total cpu time spent up to now is 257.4 secs Computing kpt #: 163 total cpu time spent up to now is 258.8 secs Computing kpt #: 164 total cpu time spent up to now is 259.7 secs Computing kpt #: 165 total cpu time spent up to now is 260.7 secs Computing kpt #: 166 total cpu time spent up to now is 261.8 secs Computing kpt #: 167 total cpu time spent up to now is 263.0 secs Computing kpt #: 168 total cpu time spent up to now is 263.9 secs Computing kpt #: 169 total cpu time spent up to now is 264.7 secs Computing kpt #: 170 total cpu time spent up to now is 265.6 secs Computing kpt #: 171 total cpu time spent up to now is 266.7 secs Computing kpt #: 172 total cpu time spent up to now is 267.6 secs Computing kpt #: 173 total cpu time spent up to now is 268.4 secs Computing kpt #: 174 total cpu time spent up to now is 269.3 secs Computing kpt #: 175 total cpu time spent up to now is 270.1 secs Computing kpt #: 176 total cpu time spent up to now is 271.0 secs Computing kpt #: 177 total cpu time spent up to now is 272.3 secs Computing kpt #: 178 total cpu time spent up to now is 273.5 secs Computing kpt #: 179 total cpu time spent up to now is 274.4 secs Computing kpt #: 180 total cpu time spent up to now is 275.5 secs Computing kpt #: 181 total cpu time spent up to now is 276.6 secs Computing kpt #: 182 total cpu time spent up to now is 277.6 secs Computing kpt #: 183 total cpu time spent up to now is 278.7 secs Computing kpt #: 184 total cpu time spent up to now is 279.6 secs Computing kpt #: 185 total cpu time spent up to now is 280.4 secs Computing kpt #: 186 total cpu time spent up to now is 281.2 secs Computing kpt #: 187 total cpu time spent up to now is 282.0 secs Computing kpt #: 188 total cpu time spent up to now is 282.9 secs Computing kpt #: 189 total cpu time spent up to now is 283.8 secs Computing kpt #: 190 total cpu time spent up to now is 284.7 secs Computing kpt #: 191 total cpu time spent up to now is 285.9 secs Computing kpt #: 192 total cpu time spent up to now is 287.6 secs Computing kpt #: 193 total cpu time spent up to now is 288.3 secs Computing kpt #: 194 total cpu time spent up to now is 289.1 secs Computing kpt #: 195 total cpu time spent up to now is 289.8 secs Computing kpt #: 196 total cpu time spent up to now is 290.6 secs Computing kpt #: 197 total cpu time spent up to now is 291.3 secs Computing kpt #: 198 total cpu time spent up to now is 292.3 secs Computing kpt #: 199 total cpu time spent up to now is 293.1 secs Computing kpt #: 200 total cpu time spent up to now is 294.0 secs Computing kpt #: 201 total cpu time spent up to now is 295.1 secs Computing kpt #: 202 total cpu time spent up to now is 295.9 secs Computing kpt #: 203 total cpu time spent up to now is 297.3 secs Computing kpt #: 204 total cpu time spent up to now is 298.7 secs Computing kpt #: 205 total cpu time spent up to now is 299.6 secs Computing kpt #: 206 total cpu time spent up to now is 300.4 secs Computing kpt #: 207 total cpu time spent up to now is 301.1 secs Computing kpt #: 208 total cpu time spent up to now is 301.9 secs Computing kpt #: 209 total cpu time spent up to now is 302.7 secs Computing kpt #: 210 total cpu time spent up to now is 303.6 secs Computing kpt #: 211 total cpu time spent up to now is 304.9 secs Computing kpt #: 212 total cpu time spent up to now is 305.7 secs Computing kpt #: 213 total cpu time spent up to now is 307.0 secs Computing kpt #: 214 total cpu time spent up to now is 308.2 secs Computing kpt #: 215 total cpu time spent up to now is 309.1 secs Computing kpt #: 216 total cpu time spent up to now is 310.0 secs Computing kpt #: 217 total cpu time spent up to now is 311.0 secs Computing kpt #: 218 total cpu time spent up to now is 312.1 secs Computing kpt #: 219 total cpu time spent up to now is 313.6 secs Computing kpt #: 220 total cpu time spent up to now is 314.7 secs Computing kpt #: 221 total cpu time spent up to now is 316.2 secs Computing kpt #: 222 total cpu time spent up to now is 317.3 secs Computing kpt #: 223 total cpu time spent up to now is 318.3 secs Computing kpt #: 224 total cpu time spent up to now is 319.5 secs Computing kpt #: 225 total cpu time spent up to now is 320.5 secs Computing kpt #: 226 total cpu time spent up to now is 321.5 secs Computing kpt #: 227 total cpu time spent up to now is 322.5 secs Computing kpt #: 228 total cpu time spent up to now is 323.6 secs Computing kpt #: 229 total cpu time spent up to now is 324.6 secs Computing kpt #: 230 total cpu time spent up to now is 325.5 secs Computing kpt #: 231 total cpu time spent up to now is 326.5 secs Computing kpt #: 232 total cpu time spent up to now is 327.5 secs Computing kpt #: 233 total cpu time spent up to now is 328.7 secs Computing kpt #: 234 total cpu time spent up to now is 329.7 secs Computing kpt #: 235 total cpu time spent up to now is 330.7 secs Computing kpt #: 236 total cpu time spent up to now is 331.8 secs Computing kpt #: 237 total cpu time spent up to now is 332.8 secs Computing kpt #: 238 total cpu time spent up to now is 333.9 secs Computing kpt #: 239 total cpu time spent up to now is 334.9 secs Computing kpt #: 240 total cpu time spent up to now is 335.8 secs Computing kpt #: 241 total cpu time spent up to now is 336.8 secs Computing kpt #: 242 total cpu time spent up to now is 337.8 secs Computing kpt #: 243 total cpu time spent up to now is 338.9 secs Computing kpt #: 244 total cpu time spent up to now is 340.0 secs Computing kpt #: 245 total cpu time spent up to now is 341.0 secs Computing kpt #: 246 total cpu time spent up to now is 342.3 secs Computing kpt #: 247 total cpu time spent up to now is 343.6 secs Computing kpt #: 248 total cpu time spent up to now is 344.8 secs Computing kpt #: 249 total cpu time spent up to now is 346.1 secs Computing kpt #: 250 total cpu time spent up to now is 347.3 secs Computing kpt #: 251 total cpu time spent up to now is 348.4 secs Computing kpt #: 252 total cpu time spent up to now is 349.4 secs Computing kpt #: 253 total cpu time spent up to now is 350.6 secs Computing kpt #: 254 total cpu time spent up to now is 351.6 secs Computing kpt #: 255 total cpu time spent up to now is 352.5 secs Computing kpt #: 256 total cpu time spent up to now is 354.3 secs Computing kpt #: 257 total cpu time spent up to now is 355.3 secs Computing kpt #: 258 total cpu time spent up to now is 356.1 secs Computing kpt #: 259 total cpu time spent up to now is 357.0 secs Computing kpt #: 260 total cpu time spent up to now is 357.9 secs Computing kpt #: 261 total cpu time spent up to now is 358.8 secs Computing kpt #: 262 total cpu time spent up to now is 359.8 secs Computing kpt #: 263 total cpu time spent up to now is 360.7 secs Computing kpt #: 264 total cpu time spent up to now is 361.9 secs Computing kpt #: 265 total cpu time spent up to now is 362.9 secs Computing kpt #: 266 total cpu time spent up to now is 364.2 secs Computing kpt #: 267 total cpu time spent up to now is 365.2 secs Computing kpt #: 268 total cpu time spent up to now is 366.3 secs Computing kpt #: 269 total cpu time spent up to now is 367.5 secs Computing kpt #: 270 total cpu time spent up to now is 368.4 secs Computing kpt #: 271 total cpu time spent up to now is 369.3 secs Computing kpt #: 272 total cpu time spent up to now is 370.1 secs Computing kpt #: 273 total cpu time spent up to now is 371.4 secs Computing kpt #: 274 total cpu time spent up to now is 372.5 secs Computing kpt #: 275 total cpu time spent up to now is 374.0 secs Computing kpt #: 276 total cpu time spent up to now is 375.8 secs Computing kpt #: 277 total cpu time spent up to now is 377.1 secs Computing kpt #: 278 total cpu time spent up to now is 378.5 secs Computing kpt #: 279 total cpu time spent up to now is 379.5 secs Computing kpt #: 280 total cpu time spent up to now is 380.5 secs Computing kpt #: 281 total cpu time spent up to now is 381.6 secs Computing kpt #: 282 total cpu time spent up to now is 382.7 secs Computing kpt #: 283 total cpu time spent up to now is 384.0 secs Computing kpt #: 284 total cpu time spent up to now is 385.1 secs Computing kpt #: 285 total cpu time spent up to now is 386.5 secs Computing kpt #: 286 total cpu time spent up to now is 388.0 secs Computing kpt #: 287 total cpu time spent up to now is 388.8 secs Computing kpt #: 288 total cpu time spent up to now is 389.6 secs Computing kpt #: 289 total cpu time spent up to now is 390.4 secs Computing kpt #: 290 total cpu time spent up to now is 391.1 secs Computing kpt #: 291 total cpu time spent up to now is 391.9 secs Computing kpt #: 292 total cpu time spent up to now is 392.7 secs Computing kpt #: 293 total cpu time spent up to now is 393.7 secs Computing kpt #: 294 total cpu time spent up to now is 394.6 secs Computing kpt #: 295 total cpu time spent up to now is 395.5 secs Computing kpt #: 296 total cpu time spent up to now is 396.3 secs Computing kpt #: 297 total cpu time spent up to now is 397.1 secs Computing kpt #: 298 total cpu time spent up to now is 398.0 secs Computing kpt #: 299 total cpu time spent up to now is 398.8 secs Computing kpt #: 300 total cpu time spent up to now is 399.7 secs Computing kpt #: 301 total cpu time spent up to now is 400.8 secs Computing kpt #: 302 total cpu time spent up to now is 401.8 secs Computing kpt #: 303 total cpu time spent up to now is 402.9 secs Computing kpt #: 304 total cpu time spent up to now is 404.3 secs Computing kpt #: 305 total cpu time spent up to now is 405.7 secs Computing kpt #: 306 total cpu time spent up to now is 407.1 secs Computing kpt #: 307 total cpu time spent up to now is 408.3 secs Computing kpt #: 308 total cpu time spent up to now is 409.5 secs Computing kpt #: 309 total cpu time spent up to now is 412.1 secs Computing kpt #: 310 total cpu time spent up to now is 414.2 secs Computing kpt #: 311 total cpu time spent up to now is 416.5 secs Computing kpt #: 312 total cpu time spent up to now is 419.0 secs Computing kpt #: 313 total cpu time spent up to now is 421.5 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 424.0 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.5 secs Computing kpt #: 316 total cpu time spent up to now is 429.1 secs Computing kpt #: 317 total cpu time spent up to now is 431.0 secs Computing kpt #: 318 total cpu time spent up to now is 433.1 secs Computing kpt #: 319 total cpu time spent up to now is 434.9 secs Computing kpt #: 320 total cpu time spent up to now is 436.3 secs Computing kpt #: 321 total cpu time spent up to now is 437.9 secs Computing kpt #: 322 total cpu time spent up to now is 439.4 secs Computing kpt #: 323 total cpu time spent up to now is 440.6 secs Computing kpt #: 324 total cpu time spent up to now is 442.1 secs Computing kpt #: 325 total cpu time spent up to now is 444.2 secs Computing kpt #: 326 total cpu time spent up to now is 445.9 secs Computing kpt #: 327 total cpu time spent up to now is 447.4 secs Computing kpt #: 328 total cpu time spent up to now is 448.6 secs Computing kpt #: 329 total cpu time spent up to now is 449.6 secs Computing kpt #: 330 total cpu time spent up to now is 450.6 secs Computing kpt #: 331 total cpu time spent up to now is 452.0 secs Computing kpt #: 332 total cpu time spent up to now is 453.0 secs Computing kpt #: 333 total cpu time spent up to now is 454.0 secs ethr = 2.78E-11, avg # of iterations = 31.1 total cpu time spent up to now is 454.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3099 PWs) bands (ev): -7.7505 -7.7505 -6.9922 -6.9922 -1.1124 -1.1124 -1.0949 -1.0949 -1.0659 -1.0659 -0.8765 -0.8765 -0.8630 -0.8630 -0.7095 -0.7095 -0.5963 -0.5963 -0.5894 -0.5894 -0.4992 -0.4992 -0.3767 -0.3767 0.2893 0.2893 4.5385 4.5385 4.7657 4.7657 5.2119 5.2119 5.5724 5.5724 5.6399 5.6399 6.8024 6.8024 7.8825 7.8825 11.1638 11.1638 11.2866 11.2866 k = 0.0109 0.0063-0.0000 ( 3107 PWs) bands (ev): -7.7498 -7.7498 -6.9918 -6.9917 -1.1124 -1.1124 -1.0959 -1.0938 -1.0658 -1.0658 -0.8768 -0.8761 -0.8659 -0.8599 -0.7096 -0.7095 -0.5971 -0.5954 -0.5894 -0.5894 -0.4994 -0.4993 -0.3797 -0.3735 0.2895 0.2912 4.5308 4.5362 4.7600 4.7601 5.2029 5.2135 5.5590 5.5753 5.6309 5.6322 6.8152 6.8187 7.8882 7.8937 11.1606 11.1653 11.2849 11.2853 k = 0.0217 0.0126-0.0000 ( 3110 PWs) bands (ev): -7.7477 -7.7477 -6.9907 -6.9904 -1.1122 -1.1122 -1.0967 -1.0925 -1.0654 -1.0654 -0.8769 -0.8756 -0.8687 -0.8567 -0.7098 -0.7095 -0.5980 -0.5945 -0.5895 -0.5895 -0.4998 -0.4997 -0.3824 -0.3701 0.2916 0.2951 4.5127 4.5238 4.7434 4.7440 5.1859 5.2071 5.5298 5.5666 5.6088 5.6162 6.8553 6.8616 7.9105 7.9213 11.1546 11.1640 11.2808 11.2831 k = 0.0326 0.0188-0.0000 ( 3118 PWs) bands (ev): -7.7442 -7.7442 -6.9886 -6.9883 -1.1120 -1.1119 -1.0973 -1.0911 -1.0649 -1.0648 -0.8769 -0.8748 -0.8713 -0.8534 -0.7100 -0.7097 -0.5988 -0.5936 -0.5896 -0.5895 -0.5004 -0.5002 -0.3848 -0.3667 0.2957 0.3010 4.4830 4.5001 4.7178 4.7197 5.1589 5.1903 5.4831 5.5352 5.5913 5.6010 6.9178 6.9259 7.9484 7.9644 11.1429 11.1561 11.2782 11.2835 k = 0.0435 0.0251-0.0000 ( 3122 PWs) bands (ev): -7.7393 -7.7393 -6.9858 -6.9854 -1.1116 -1.1116 -1.0977 -1.0895 -1.0640 -1.0639 -0.8766 -0.8741 -0.8736 -0.8499 -0.7103 -0.7099 -0.5995 -0.5927 -0.5897 -0.5895 -0.5014 -0.5009 -0.3868 -0.3631 0.3017 0.3090 4.4404 4.4636 4.6862 4.6898 5.1194 5.1584 5.4285 5.4872 5.5809 5.5875 6.9969 7.0058 8.0005 8.0214 11.1228 11.1376 11.2822 11.2898 k = 0.0543 0.0314-0.0000 ( 3124 PWs) bands (ev): -7.7330 -7.7330 -6.9821 -6.9816 -1.1111 -1.1111 -1.0979 -1.0878 -1.0630 -1.0627 -0.8762 -0.8762 -0.8728 -0.8462 -0.7107 -0.7102 -0.6002 -0.5918 -0.5899 -0.5894 -0.5026 -0.5018 -0.3886 -0.3595 0.3096 0.3189 4.3842 4.4130 4.6517 4.6569 5.0644 5.1060 5.3779 5.4372 5.5707 5.5741 7.0874 7.0963 8.0651 8.0904 11.0940 11.1079 11.2951 11.3032 k = 0.0652 0.0377-0.0000 ( 3122 PWs) bands (ev): -7.7254 -7.7254 -6.9777 -6.9771 -1.1106 -1.1105 -1.0978 -1.0859 -1.0617 -1.0612 -0.8784 -0.8756 -0.8716 -0.8423 -0.7110 -0.7106 -0.6009 -0.5910 -0.5901 -0.5892 -0.5041 -0.5027 -0.3899 -0.3559 0.3194 0.3309 4.3148 4.3481 4.6163 4.6225 4.9931 5.0312 5.3381 5.3919 5.5590 5.5596 7.1853 7.1936 8.1399 8.1695 11.0579 11.0696 11.3155 11.3234 k = 0.0761 0.0439-0.0000 ( 3126 PWs) bands (ev): -7.7164 -7.7164 -6.9725 -6.9718 -1.1101 -1.1098 -1.0975 -1.0839 -1.0602 -1.0594 -0.8805 -0.8749 -0.8702 -0.8382 -0.7114 -0.7110 -0.6015 -0.5905 -0.5904 -0.5886 -0.5057 -0.5036 -0.3910 -0.3524 0.3309 0.3447 4.2335 4.2703 4.5805 4.5868 4.9073 4.9386 5.3076 5.3531 5.5436 5.5454 7.2876 7.2950 8.2228 8.2562 11.0170 11.0260 11.3418 11.3493 k = 0.0870 0.0502-0.0000 ( 3124 PWs) bands (ev): -7.7061 -7.7061 -6.9666 -6.9658 -1.1095 -1.1090 -1.0969 -1.0818 -1.0585 -1.0573 -0.8824 -0.8739 -0.8686 -0.8340 -0.7118 -0.7115 -0.6021 -0.5908 -0.5903 -0.5878 -0.5075 -0.5046 -0.3917 -0.3489 0.3442 0.3605 4.1422 4.1817 4.5438 4.5495 4.8103 4.8347 5.2826 5.3194 5.5260 5.5296 7.3922 7.3983 8.3116 8.3485 10.9737 10.9798 11.3728 11.3799 k = 0.0978 0.0565-0.0000 ( 3126 PWs) bands (ev): -7.6946 -7.6945 -6.9600 -6.9590 -1.1089 -1.1081 -1.0961 -1.0796 -1.0566 -1.0549 -0.8842 -0.8728 -0.8668 -0.8295 -0.7122 -0.7121 -0.6026 -0.5912 -0.5902 -0.5867 -0.5094 -0.5056 -0.3921 -0.3454 0.3590 0.3781 4.0430 4.0845 4.5052 4.5096 4.7063 4.7250 5.2598 5.2889 5.5066 5.5118 7.4975 7.5022 8.4038 8.4440 10.9302 10.9333 11.4074 11.4144 k = 0.1087 0.0628-0.0000 ( 3130 PWs) bands (ev): -7.6817 -7.6817 -6.9527 -6.9516 -1.1084 -1.1072 -1.0949 -1.0774 -1.0545 -1.0522 -0.8859 -0.8715 -0.8649 -0.8249 -0.7126 -0.7126 -0.6032 -0.5916 -0.5901 -0.5856 -0.5114 -0.5065 -0.3923 -0.3421 0.3755 0.3975 3.9376 3.9807 4.4624 4.4641 4.5998 4.6149 5.2376 5.2601 5.4853 5.4919 7.6024 7.6054 8.4972 8.5402 10.8887 10.8889 11.4446 11.4519 k = 0.1196 0.0690-0.0000 ( 3130 PWs) bands (ev): -7.6676 -7.6676 -6.9447 -6.9436 -1.1078 -1.1062 -1.0934 -1.0750 -1.0521 -1.0491 -0.8874 -0.8700 -0.8629 -0.8200 -0.7133 -0.7130 -0.6036 -0.5921 -0.5900 -0.5845 -0.5133 -0.5073 -0.3922 -0.3388 0.3933 0.4185 3.8274 3.8721 4.4047 4.4077 4.5003 4.5146 5.2148 5.2318 5.4623 5.4701 7.7059 7.7072 8.5894 8.6349 10.8484 10.8516 11.4834 11.4915 k = 0.1304 0.0753-0.0000 ( 3138 PWs) bands (ev): -7.6523 -7.6523 -6.9362 -6.9350 -1.1073 -1.1052 -1.0916 -1.0727 -1.0495 -1.0458 -0.8888 -0.8683 -0.8606 -0.8150 -0.7140 -0.7133 -0.6041 -0.5925 -0.5900 -0.5833 -0.5153 -0.5081 -0.3919 -0.3357 0.4125 0.4411 3.7139 3.7600 4.3170 4.3235 4.4265 4.4396 5.1910 5.2033 5.4376 5.4464 7.8068 7.8074 8.6780 8.7254 10.8139 10.8208 11.5224 11.5321 k = 0.1413 0.0816-0.0000 ( 3148 PWs) bands (ev): -7.6359 -7.6359 -6.9271 -6.9258 -1.1067 -1.1041 -1.0895 -1.0703 -1.0468 -1.0422 -0.8900 -0.8664 -0.8582 -0.8097 -0.7147 -0.7135 -0.6046 -0.5930 -0.5901 -0.5821 -0.5171 -0.5087 -0.3914 -0.3325 0.4330 0.4652 3.5980 3.6456 4.2068 4.2153 4.3742 4.3850 5.1658 5.1740 5.4111 5.4209 7.9036 7.9062 8.7606 8.8094 10.7871 10.7985 11.5590 11.5718 k = 0.1522 0.0879-0.0000 ( 3148 PWs) bands (ev): -7.6183 -7.6183 -6.9175 -6.9162 -1.1062 -1.1029 -1.0870 -1.0678 -1.0438 -1.0383 -0.8912 -0.8643 -0.8555 -0.8042 -0.7154 -0.7136 -0.6051 -0.5933 -0.5901 -0.5807 -0.5189 -0.5092 -0.3907 -0.3294 0.4545 0.4906 3.4808 3.5298 4.0884 4.0992 4.3280 4.3372 5.1391 5.1436 5.3831 5.3937 7.9972 8.0019 8.8350 8.8844 10.7697 10.7863 11.5879 11.6055 k = 0.1630 0.0941-0.0000 ( 3146 PWs) bands (ev): -7.5997 -7.5997 -6.9075 -6.9061 -1.1056 -1.1016 -1.0843 -1.0654 -1.0406 -1.0341 -0.8921 -0.8621 -0.8527 -0.7986 -0.7162 -0.7136 -0.6056 -0.5935 -0.5902 -0.5793 -0.5204 -0.5095 -0.3898 -0.3263 0.4769 0.5171 3.3630 3.4135 3.9674 3.9807 4.2832 4.2912 5.1107 5.1119 5.3536 5.3649 8.0872 8.0941 8.8990 8.9484 10.7629 10.7855 11.6010 11.6212 k = 0.1739 0.1004-0.0000 ( 3146 PWs) bands (ev): -7.5800 -7.5800 -6.8971 -6.8956 -1.1051 -1.1003 -1.0812 -1.0629 -1.0372 -1.0295 -0.8930 -0.8597 -0.8498 -0.7927 -0.7169 -0.7135 -0.6062 -0.5936 -0.5904 -0.5779 -0.5219 -0.5095 -0.3887 -0.3232 0.5001 0.5447 3.2454 3.2975 3.8457 3.8615 4.2386 4.2458 5.0788 5.0806 5.3228 5.3347 8.1732 8.1824 8.9513 8.9999 10.7669 10.7964 11.5957 11.6133 k = 0.1848 0.1067-0.0000 ( 3146 PWs) bands (ev): -7.5594 -7.5594 -6.8864 -6.8848 -1.1045 -1.0990 -1.0778 -1.0605 -1.0335 -1.0247 -0.8937 -0.8572 -0.8466 -0.7866 -0.7176 -0.7132 -0.6068 -0.5934 -0.5906 -0.5763 -0.5231 -0.5094 -0.3874 -0.3200 0.5237 0.5730 3.1286 3.1825 3.7241 3.7426 4.1939 4.2005 5.0441 5.0486 5.2907 5.3032 8.2550 8.2666 8.9910 9.0382 10.7814 10.8183 11.5777 11.5922 k = 0.1957 0.1130-0.0000 ( 3142 PWs) bands (ev): -7.5379 -7.5379 -6.8754 -6.8737 -1.1039 -1.0976 -1.0740 -1.0580 -1.0297 -1.0197 -0.8943 -0.8545 -0.8433 -0.7804 -0.7184 -0.7127 -0.6076 -0.5930 -0.5909 -0.5747 -0.5241 -0.5091 -0.3860 -0.3168 0.5477 0.6020 3.0133 3.0690 3.6032 3.6244 4.1491 4.1552 5.0078 5.0149 5.2576 5.2706 8.3324 8.3463 9.0182 9.0635 10.8046 10.8491 11.5527 11.5654 k = 0.2065 0.1192-0.0000 ( 3148 PWs) bands (ev): -7.5156 -7.5155 -6.8642 -6.8624 -1.1032 -1.0962 -1.0699 -1.0555 -1.0258 -1.0144 -0.8948 -0.8517 -0.8399 -0.7740 -0.7190 -0.7121 -0.6085 -0.5923 -0.5913 -0.5730 -0.5250 -0.5086 -0.3845 -0.3135 0.5717 0.6312 2.9000 2.9576 3.4834 3.5075 4.1043 4.1099 4.9699 4.9793 5.2236 5.2371 8.4050 8.4214 9.0335 9.0769 10.8338 10.8852 11.5246 11.5371 k = 0.2174 0.1255-0.0000 ( 3152 PWs) bands (ev): -7.4925 -7.4924 -6.8528 -6.8510 -1.1026 -1.0948 -1.0655 -1.0530 -1.0217 -1.0089 -0.8952 -0.8488 -0.8364 -0.7676 -0.7197 -0.7112 -0.6094 -0.5918 -0.5913 -0.5711 -0.5257 -0.5079 -0.3827 -0.3101 0.5953 0.6604 2.7894 2.8489 3.3649 3.3921 4.0596 4.0649 4.9302 4.9419 5.1890 5.2029 8.4727 8.4918 9.0384 9.0799 10.8653 10.9217 11.4965 11.5112 k = 0.2283 0.1318-0.0000 ( 3156 PWs) bands (ev): -7.4687 -7.4686 -6.8414 -6.8396 -1.1020 -1.0934 -1.0606 -1.0505 -1.0175 -1.0032 -0.8954 -0.8458 -0.8327 -0.7610 -0.7203 -0.7102 -0.6104 -0.5924 -0.5900 -0.5691 -0.5261 -0.5071 -0.3807 -0.3065 0.6183 0.6892 2.6820 2.7435 3.2482 3.2787 4.0152 4.0202 4.8889 4.9026 5.1539 5.1681 8.5353 8.5572 9.0345 9.0744 10.8944 10.9529 11.4715 11.4913 k = 0.2391 0.1381-0.0000 ( 3158 PWs) bands (ev): -7.4442 -7.4441 -6.8300 -6.8281 -1.1013 -1.0919 -1.0554 -1.0478 -1.0131 -0.9973 -0.8956 -0.8427 -0.8289 -0.7543 -0.7208 -0.7089 -0.6114 -0.5931 -0.5883 -0.5670 -0.5264 -0.5060 -0.3785 -0.3028 0.6402 0.7171 2.5784 2.6417 3.1334 3.1675 3.9712 3.9760 4.8457 4.8614 5.1186 5.1331 8.5927 8.6176 9.0235 9.0625 10.9164 10.9730 11.4526 11.4810 k = 0.2500 0.1443-0.0000 ( 3148 PWs) bands (ev): -7.4193 -7.4191 -6.8187 -6.8168 -1.1006 -1.0904 -1.0497 -1.0450 -1.0086 -0.9912 -0.8956 -0.8396 -0.8249 -0.7476 -0.7212 -0.7074 -0.6123 -0.5938 -0.5864 -0.5648 -0.5264 -0.5048 -0.3760 -0.2989 0.6606 0.7437 2.4792 2.5442 3.0209 3.0591 3.9277 3.9323 4.8008 4.8182 5.0834 5.0980 8.6446 8.6730 9.0072 9.0460 10.9273 10.9777 11.4427 11.4825 k = 0.2609 0.1506-0.0000 ( 3156 PWs) bands (ev): -7.3938 -7.3937 -6.8076 -6.8056 -1.0999 -1.0890 -1.0437 -1.0422 -1.0041 -0.9851 -0.8955 -0.8365 -0.8210 -0.7410 -0.7215 -0.7056 -0.6134 -0.5946 -0.5842 -0.5624 -0.5262 -0.5036 -0.3733 -0.2947 0.6789 0.7683 2.3851 2.4512 2.9110 2.9538 3.8850 3.8895 4.7542 4.7732 5.0484 5.0631 8.6908 8.7232 8.9870 9.0267 10.9245 10.9665 11.4434 11.4955 k = 0.2717 0.1569-0.0000 ( 3152 PWs) bands (ev): -7.3681 -7.3679 -6.7967 -6.7947 -1.0991 -1.0875 -1.0391 -1.0372 -0.9996 -0.9788 -0.8953 -0.8334 -0.8169 -0.7345 -0.7217 -0.7035 -0.6143 -0.5954 -0.5817 -0.5598 -0.5258 -0.5022 -0.3702 -0.2904 0.6946 0.7902 2.2968 2.3632 2.8040 2.8522 3.8431 3.8475 4.7059 4.7264 5.0140 5.0286 8.7307 8.7682 8.9643 9.0065 10.9082 10.9415 11.4543 11.5173 k = 0.2826 0.1632-0.0000 ( 3152 PWs) bands (ev): -7.3420 -7.3418 -6.7862 -6.7841 -1.0984 -1.0862 -1.0359 -1.0303 -0.9949 -0.9725 -0.8950 -0.8304 -0.8128 -0.7282 -0.7217 -0.7011 -0.6152 -0.5963 -0.5789 -0.5571 -0.5252 -0.5008 -0.3670 -0.2859 0.7072 0.8087 2.2147 2.2803 2.7006 2.7550 3.8022 3.8066 4.6561 4.6778 4.9802 4.9946 8.7635 8.8079 8.9405 8.9871 10.8807 10.9064 11.4737 11.5446 k = 0.2935 0.1694-0.0000 ( 3152 PWs) bands (ev): -7.3158 -7.3156 -6.7760 -6.7739 -1.0976 -1.0849 -1.0324 -1.0230 -0.9903 -0.9661 -0.8946 -0.8274 -0.8086 -0.7222 -0.7216 -0.6983 -0.6160 -0.5972 -0.5759 -0.5543 -0.5244 -0.4993 -0.3634 -0.2813 0.7161 0.8229 2.1394 2.2025 2.6013 2.6631 3.7625 3.7669 4.6048 4.6275 4.9474 4.9615 8.7879 8.8412 8.9175 8.9711 10.8449 10.8646 11.4997 11.5754 k = 0.3043 0.1757-0.0000 ( 3148 PWs) bands (ev): -7.2896 -7.2893 -6.7663 -6.7642 -1.0969 -1.0837 -1.0286 -1.0154 -0.9857 -0.9598 -0.8940 -0.8244 -0.8045 -0.7213 -0.7168 -0.6950 -0.6167 -0.5981 -0.5726 -0.5513 -0.5232 -0.4978 -0.3597 -0.2765 0.7210 0.8321 2.0711 2.1296 2.5071 2.5774 3.7240 3.7284 4.5522 4.5758 4.9155 4.9293 8.8020 8.8610 8.9032 8.9610 10.8035 10.8188 11.5306 11.6083 k = 0.3152 0.1820-0.0000 ( 3152 PWs) bands (ev): -7.2633 -7.2630 -6.7571 -6.7551 -1.0961 -1.0826 -1.0246 -1.0075 -0.9811 -0.9535 -0.8933 -0.8216 -0.8003 -0.7208 -0.7120 -0.6911 -0.6172 -0.5989 -0.5692 -0.5482 -0.5218 -0.4964 -0.3558 -0.2717 0.7215 0.8356 2.0094 2.0607 2.4191 2.4994 3.6869 3.6914 4.4984 4.5229 4.8849 4.8982 8.8046 8.8513 8.9143 8.9586 10.7589 10.7708 11.5654 11.6430 k = 0.3261 0.1883-0.0000 ( 3156 PWs) bands (ev): -7.2373 -7.2370 -6.7485 -6.7465 -1.0953 -1.0817 -1.0203 -0.9994 -0.9766 -0.9473 -0.8924 -0.8190 -0.7962 -0.7201 -0.7079 -0.6867 -0.6175 -0.5997 -0.5656 -0.5449 -0.5200 -0.4950 -0.3518 -0.2669 0.7176 0.8330 1.9534 1.9950 2.3392 2.4304 3.6513 3.6559 4.4439 4.4689 4.8555 4.8683 8.7975 8.8297 8.9342 8.9630 10.7126 10.7220 11.6035 11.6794 k = 0.3370 0.1945-0.0000 ( 3154 PWs) bands (ev): -7.2115 -7.2112 -6.7406 -6.7386 -1.0945 -1.0809 -1.0157 -0.9912 -0.9721 -0.9411 -0.8912 -0.8165 -0.7920 -0.7192 -0.7045 -0.6820 -0.6174 -0.6004 -0.5621 -0.5414 -0.5177 -0.4937 -0.3479 -0.2623 0.7094 0.8244 1.9009 1.9310 2.2697 2.3719 3.6173 3.6220 4.3887 4.4141 4.8276 4.8397 8.7842 8.8067 8.9526 8.9711 10.6660 10.6735 11.6447 11.7178 k = 0.3478 0.2008-0.0000 ( 3156 PWs) bands (ev): -7.1862 -7.1858 -6.7334 -6.7314 -1.0937 -1.0803 -1.0108 -0.9832 -0.9677 -0.9349 -0.8898 -0.8142 -0.7879 -0.7180 -0.7017 -0.6772 -0.6170 -0.6010 -0.5585 -0.5379 -0.5149 -0.4924 -0.3442 -0.2581 0.6974 0.8100 1.8492 1.8676 2.2133 2.3248 3.5851 3.5899 4.3334 4.3589 4.8011 4.8125 8.7678 8.7842 8.9684 8.9803 10.6201 10.6260 11.6888 11.7581 k = 0.3587 0.2071-0.0000 ( 3152 PWs) bands (ev): -7.1614 -7.1610 -6.7269 -6.7250 -1.0929 -1.0798 -1.0056 -0.9754 -0.9633 -0.9287 -0.8879 -0.8122 -0.7838 -0.7165 -0.6994 -0.6726 -0.6162 -0.6015 -0.5549 -0.5341 -0.5114 -0.4912 -0.3409 -0.2545 0.6824 0.7909 1.7957 1.8042 2.1720 2.2894 3.5546 3.5595 4.2781 4.3037 4.7761 4.7869 8.7504 8.7627 8.9815 8.9891 10.5755 10.5802 11.7356 11.8004 k = 0.3696 0.2134-0.0000 ( 3162 PWs) bands (ev): -7.1373 -7.1369 -6.7213 -6.7194 -1.0922 -1.0794 -1.0003 -0.9683 -0.9591 -0.9227 -0.8856 -0.8103 -0.7797 -0.7149 -0.6975 -0.6687 -0.6149 -0.6018 -0.5514 -0.5303 -0.5071 -0.4899 -0.3384 -0.2517 0.6652 0.7681 1.7390 1.7406 2.1463 2.2652 3.5260 3.5311 4.2233 4.2487 4.7528 4.7628 8.7330 8.7426 8.9920 8.9969 10.5328 10.5366 11.7848 11.8443 k = 0.3804 0.2196-0.0000 ( 3160 PWs) bands (ev): -7.1141 -7.1136 -6.7164 -6.7146 -1.0914 -1.0792 -0.9948 -0.9620 -0.9550 -0.9170 -0.8823 -0.8088 -0.7754 -0.7130 -0.6959 -0.6655 -0.6129 -0.6020 -0.5480 -0.5264 -0.5018 -0.4886 -0.3367 -0.2501 0.6469 0.7431 1.6772 1.6796 2.1347 2.2510 3.4995 3.5047 4.1696 4.1946 4.7312 4.7404 8.7162 8.7239 9.0004 9.0034 10.4924 10.4955 11.8360 11.8883 k = 0.3913 0.2259-0.0000 ( 3156 PWs) bands (ev): -7.0919 -7.0914 -6.7124 -6.7106 -1.0906 -1.0791 -0.9892 -0.9566 -0.9509 -0.9119 -0.8779 -0.8074 -0.7710 -0.7109 -0.6948 -0.6632 -0.6105 -0.6021 -0.5447 -0.5225 -0.4953 -0.4871 -0.3363 -0.2498 0.6287 0.7173 1.6148 1.6188 2.1346 2.2451 3.4750 3.4803 4.1173 4.1416 4.7113 4.7197 8.7005 8.7067 9.0069 9.0086 10.4548 10.4573 11.8882 11.9248 k = 0.4022 0.2322-0.0000 ( 3148 PWs) bands (ev): -7.0708 -7.0703 -6.7091 -6.7074 -1.0897 -1.0791 -0.9835 -0.9522 -0.9469 -0.9078 -0.8722 -0.8064 -0.7663 -0.7086 -0.6939 -0.6619 -0.6078 -0.6020 -0.5414 -0.5186 -0.4877 -0.4853 -0.3374 -0.2513 0.6114 0.6919 1.5543 1.5584 2.1432 2.2458 3.4527 3.4581 4.0671 4.0904 4.6932 4.7008 8.6860 8.6911 9.0118 9.0126 10.4201 10.4221 11.9322 11.9353 k = 0.4130 0.2385-0.0000 ( 3154 PWs) bands (ev): -7.0511 -7.0506 -6.7066 -6.7051 -1.0890 -1.0793 -0.9780 -0.9489 -0.9430 -0.9051 -0.8652 -0.8057 -0.7614 -0.7061 -0.6935 -0.6616 -0.6051 -0.6018 -0.5381 -0.5152 -0.4828 -0.4786 -0.3402 -0.2548 0.5960 0.6680 1.4965 1.5001 2.1579 2.2513 3.4327 3.4380 4.0195 4.0416 4.6769 4.6837 8.6729 8.6771 9.0153 9.0157 10.3886 10.3903 11.9327 11.9345 k = 0.4239 0.2447-0.0000 ( 3162 PWs) bands (ev): -7.0330 -7.0325 -6.7048 -6.7034 -1.0882 -1.0795 -0.9727 -0.9464 -0.9391 -0.9035 -0.8575 -0.8054 -0.7559 -0.7035 -0.6936 -0.6622 -0.6026 -0.6015 -0.5348 -0.5124 -0.4793 -0.4681 -0.3448 -0.2605 0.5832 0.6465 1.4425 1.4451 2.1766 2.2599 3.4149 3.4201 3.9752 3.9958 4.6625 4.6684 8.6613 8.6647 9.0178 9.0178 10.3605 10.3618 11.9278 11.9292 k = 0.4348 0.2510-0.0000 ( 3156 PWs) bands (ev): -7.0166 -7.0161 -6.7036 -6.7023 -1.0874 -1.0798 -0.9677 -0.9447 -0.9352 -0.9028 -0.8496 -0.8054 -0.7500 -0.7008 -0.6940 -0.6636 -0.6010 -0.6004 -0.5315 -0.5104 -0.4745 -0.4560 -0.3512 -0.2684 0.5733 0.6278 1.3930 1.3946 2.1974 2.2700 3.3996 3.4045 3.9350 3.9536 4.6499 4.6551 8.6511 8.6539 9.0193 9.0195 10.3359 10.3370 11.9228 11.9238 k = 0.4457 0.2573-0.0000 ( 3160 PWs) bands (ev): -7.0022 -7.0017 -6.7029 -6.7018 -1.0867 -1.0802 -0.9630 -0.9437 -0.9314 -0.9030 -0.8419 -0.8057 -0.7436 -0.6980 -0.6950 -0.6657 -0.6004 -0.5987 -0.5282 -0.5094 -0.4684 -0.4427 -0.3592 -0.2787 0.5665 0.6121 1.3490 1.3497 2.2189 2.2803 3.3866 3.3911 3.8995 3.9158 4.6394 4.6437 8.6426 8.6448 9.0203 9.0206 10.3150 10.3158 11.9182 11.9189 k = 0.4565 0.2636-0.0000 ( 3152 PWs) bands (ev): -6.9899 -6.9896 -6.7026 -6.7017 -1.0859 -1.0807 -0.9587 -0.9433 -0.9275 -0.9039 -0.8348 -0.8065 -0.7368 -0.6965 -0.6951 -0.6683 -0.5997 -0.5976 -0.5251 -0.5092 -0.4607 -0.4282 -0.3685 -0.2912 0.5627 0.5993 1.3112 1.3113 2.2397 2.2894 3.3762 3.3801 3.8695 3.8831 4.6308 4.6342 8.6356 8.6373 9.0209 9.0212 10.2977 10.2984 11.9142 11.9147 k = 0.4674 0.2698-0.0000 ( 3156 PWs) bands (ev): -6.9801 -6.9799 -6.7025 -6.7018 -1.0852 -1.0812 -0.9550 -0.9434 -0.9237 -0.9055 -0.8285 -0.8078 -0.7298 -0.6987 -0.6922 -0.6715 -0.5990 -0.5969 -0.5220 -0.5097 -0.4519 -0.4135 -0.3781 -0.3055 0.5615 0.5891 1.2803 1.2807 2.2586 2.2963 3.3682 3.3713 3.8457 3.8563 4.6241 4.6267 8.6302 8.6315 9.0213 9.0216 10.2843 10.2847 11.9109 11.9113 k = 0.4783 0.2761-0.0000 ( 3150 PWs) bands (ev): -6.9730 -6.9728 -6.7025 -6.7021 -1.0844 -1.0818 -0.9517 -0.9440 -0.9200 -0.9075 -0.8231 -0.8095 -0.7229 -0.7017 -0.6890 -0.6750 -0.5983 -0.5966 -0.5191 -0.5107 -0.4419 -0.4037 -0.3826 -0.3213 0.5625 0.5810 1.2576 1.2580 2.2747 2.3001 3.3627 3.3649 3.8288 3.8360 4.6195 4.6212 8.6264 8.6272 9.0215 9.0217 10.2747 10.2749 11.9086 11.9088 k = 0.4891 0.2824-0.0000 ( 3150 PWs) bands (ev): -6.9686 -6.9684 -6.7026 -6.7023 -1.0837 -1.0824 -0.9490 -0.9452 -0.9164 -0.9101 -0.8185 -0.8118 -0.7164 -0.7056 -0.6858 -0.6787 -0.5977 -0.5967 -0.5165 -0.5123 -0.4311 -0.4091 -0.3718 -0.3381 0.5652 0.5745 1.2438 1.2441 2.2873 2.3000 3.3596 3.3607 3.8192 3.8229 4.6169 4.6178 8.6242 8.6246 9.0216 9.0217 10.2689 10.2690 11.9072 11.9073 k = 0.5000 0.2887-0.0000 ( 3146 PWs) bands (ev): -6.9670 -6.9670 -6.7025 -6.7025 -1.0830 -1.0830 -0.9469 -0.9469 -0.9131 -0.9131 -0.8148 -0.8148 -0.7105 -0.7105 -0.6823 -0.6823 -0.5971 -0.5971 -0.5142 -0.5142 -0.4198 -0.4198 -0.3553 -0.3553 0.5693 0.5693 1.2392 1.2392 2.2958 2.2958 3.3590 3.3590 3.8172 3.8172 4.6163 4.6163 8.6236 8.6236 9.0217 9.0217 10.2670 10.2670 11.9067 11.9067 k = 0.5000 0.2887-0.0000 ( 3146 PWs) bands (ev): -6.9670 -6.9670 -6.7025 -6.7025 -1.0830 -1.0830 -0.9469 -0.9469 -0.9131 -0.9131 -0.8148 -0.8148 -0.7105 -0.7105 -0.6823 -0.6823 -0.5971 -0.5971 -0.5142 -0.5142 -0.4198 -0.4198 -0.3553 -0.3553 0.5693 0.5693 1.2392 1.2392 2.2958 2.2958 3.3590 3.3590 3.8172 3.8172 4.6163 4.6163 8.6236 8.6236 9.0217 9.0217 10.2670 10.2670 11.9067 11.9067 k = 0.4938 0.2994-0.0000 ( 3150 PWs) bands (ev): -6.9667 -6.9666 -6.7025 -6.7024 -1.0853 -1.0805 -0.9492 -0.9445 -0.9140 -0.9118 -0.8192 -0.8102 -0.7116 -0.7096 -0.6845 -0.6797 -0.5973 -0.5967 -0.5160 -0.5125 -0.4220 -0.4180 -0.3558 -0.3545 0.5688 0.5712 1.2386 1.2403 2.2926 2.3001 3.3499 3.3587 3.8146 3.8183 4.6102 4.6118 8.6297 8.6345 9.0273 9.0301 10.2608 10.2677 11.8980 11.9120 k = 0.4877 0.3101-0.0000 ( 3146 PWs) bands (ev): -6.9655 -6.9654 -6.7025 -6.7023 -1.0873 -1.0776 -0.9517 -0.9422 -0.9147 -0.9102 -0.8234 -0.8054 -0.7128 -0.7088 -0.6865 -0.6768 -0.5971 -0.5960 -0.5179 -0.5109 -0.4244 -0.4164 -0.3556 -0.3531 0.5697 0.5745 1.2384 1.2418 2.2905 2.3055 3.3316 3.3492 3.8105 3.8179 4.5937 4.5968 8.6525 8.6622 9.0468 9.0525 10.2493 10.2629 11.8868 11.9138 k = 0.4815 0.3208-0.0000 ( 3150 PWs) bands (ev): -6.9636 -6.9635 -6.7024 -6.7022 -1.0891 -1.0745 -0.9541 -0.9400 -0.9151 -0.9083 -0.8274 -0.8005 -0.7141 -0.7082 -0.6881 -0.6735 -0.5967 -0.5951 -0.5199 -0.5095 -0.4269 -0.4153 -0.3550 -0.3514 0.5720 0.5792 1.2385 1.2437 2.2892 2.3121 3.3043 3.3311 3.8049 3.8160 4.5671 4.5719 8.6918 8.7064 9.0796 9.0882 10.2326 10.2525 11.8745 11.9127 k = 0.4753 0.3314-0.0000 ( 3144 PWs) bands (ev): -6.9609 -6.9608 -6.7023 -6.7020 -1.0905 -1.0712 -0.9565 -0.9378 -0.9153 -0.9061 -0.8311 -0.7953 -0.7154 -0.7077 -0.6895 -0.6698 -0.5959 -0.5940 -0.5218 -0.5082 -0.4295 -0.4145 -0.3540 -0.3494 0.5758 0.5853 1.2391 1.2459 2.2886 2.3197 3.2689 3.3052 3.7977 3.8126 4.5312 4.5377 8.7468 8.7663 9.1248 9.1365 10.2110 10.2365 11.8630 11.9099 k = 0.4691 0.3421-0.0000 ( 3148 PWs) bands (ev): -6.9575 -6.9573 -6.7022 -6.7018 -1.0916 -1.0677 -0.9589 -0.9356 -0.9153 -0.9035 -0.8347 -0.7900 -0.7169 -0.7074 -0.6906 -0.6658 -0.5948 -0.5927 -0.5239 -0.5070 -0.4321 -0.4141 -0.3524 -0.3470 0.5810 0.5928 1.2399 1.2484 2.2883 2.3282 3.2262 3.2723 3.7889 3.8077 4.4869 4.4952 8.8167 8.8412 9.1812 9.1962 10.1847 10.2150 11.8542 11.9071 k = 0.4630 0.3528-0.0000 ( 3148 PWs) bands (ev): -6.9533 -6.9531 -6.7020 -6.7016 -1.0924 -1.0640 -0.9611 -0.9334 -0.9151 -0.9006 -0.8380 -0.7846 -0.7184 -0.7073 -0.6916 -0.6615 -0.5934 -0.5913 -0.5259 -0.5061 -0.4347 -0.4140 -0.3505 -0.3444 0.5877 0.6017 1.2410 1.2511 2.2880 2.3373 3.1774 3.2340 3.7784 3.8012 4.4352 4.4454 8.9003 8.9300 9.2476 9.2659 10.1542 10.1883 11.8497 11.9060 k = 0.4568 0.3635-0.0000 ( 3140 PWs) bands (ev): -6.9484 -6.9482 -6.7019 -6.7015 -1.0930 -1.0603 -0.9632 -0.9312 -0.9149 -0.8975 -0.8411 -0.7791 -0.7199 -0.7074 -0.6922 -0.6568 -0.5918 -0.5897 -0.5279 -0.5052 -0.4370 -0.4141 -0.3483 -0.3416 0.5958 0.6121 1.2422 1.2540 2.2872 2.3466 3.1238 3.1915 3.7662 3.7932 4.3772 4.3896 8.9965 9.0316 9.3223 9.3441 10.1200 10.1569 11.8512 11.9081 k = 0.4506 0.3742-0.0000 ( 3140 PWs) bands (ev): -6.9429 -6.9426 -6.7019 -6.7013 -1.0933 -1.0567 -0.9650 -0.9290 -0.9145 -0.8941 -0.8440 -0.7737 -0.7215 -0.7076 -0.6927 -0.6518 -0.5898 -0.5880 -0.5298 -0.5046 -0.4391 -0.4144 -0.3459 -0.3385 0.6054 0.6239 1.2434 1.2568 2.2851 2.3555 3.0670 3.1467 3.7521 3.7834 4.3143 4.3289 9.1038 9.1448 9.4036 9.4288 10.0831 10.1218 11.8598 11.9148 k = 0.4444 0.3849-0.0000 ( 3148 PWs) bands (ev): -6.9367 -6.9364 -6.7019 -6.7013 -1.0934 -1.0532 -0.9664 -0.9268 -0.9141 -0.8907 -0.8466 -0.7684 -0.7231 -0.7081 -0.6929 -0.6465 -0.5877 -0.5862 -0.5317 -0.5041 -0.4410 -0.4148 -0.3434 -0.3353 0.6165 0.6371 1.2445 1.2595 2.2809 2.3632 3.0091 3.1014 3.7360 3.7719 4.2475 4.2647 9.2206 9.2684 9.4894 9.5176 10.0447 10.0843 11.8764 11.9272 k = 0.4383 0.3956-0.0000 ( 3140 PWs) bands (ev): -6.9298 -6.9295 -6.7021 -6.7014 -1.0932 -1.0500 -0.9672 -0.9245 -0.9137 -0.8872 -0.8488 -0.7633 -0.7245 -0.7086 -0.6928 -0.6409 -0.5854 -0.5843 -0.5334 -0.5038 -0.4425 -0.4151 -0.3408 -0.3319 0.6290 0.6518 1.2454 1.2619 2.2737 2.3681 2.9522 3.0576 3.7177 3.7586 4.1781 4.1981 9.3449 9.4010 9.5774 9.6072 10.0075 10.0465 11.9018 11.9462 k = 0.4321 0.4063-0.0000 ( 3144 PWs) bands (ev): -6.9224 -6.9220 -6.7024 -6.7016 -1.0928 -1.0472 -0.9675 -0.9223 -0.9132 -0.8839 -0.8505 -0.7586 -0.7260 -0.7093 -0.6924 -0.6353 -0.5830 -0.5824 -0.5349 -0.5037 -0.4436 -0.4155 -0.3382 -0.3284 0.6430 0.6679 1.2459 1.2638 2.2625 2.3685 2.8994 3.0172 3.6972 3.7434 4.1071 4.1304 9.4739 9.5412 9.6637 9.6905 9.9776 10.0128 11.9362 11.9723 k = 0.4259 0.4170-0.0000 ( 3144 PWs) bands (ev): -6.9144 -6.9140 -6.7028 -6.7021 -1.0922 -1.0450 -0.9670 -0.9202 -0.9127 -0.8810 -0.8515 -0.7545 -0.7274 -0.7098 -0.6918 -0.6294 -0.5805 -0.5804 -0.5362 -0.5037 -0.4443 -0.4158 -0.3358 -0.3248 0.6585 0.6855 1.2457 1.2651 2.2462 2.3619 2.8541 2.9823 3.6742 3.7261 4.0358 4.0627 9.6017 9.6871 9.7418 9.7506 9.9714 9.9934 11.9798 12.0057 k = 0.4198 0.4277-0.0000 ( 3148 PWs) bands (ev): -6.9059 -6.9055 -6.7035 -6.7027 -1.0914 -1.0434 -0.9656 -0.9181 -0.9121 -0.8789 -0.8513 -0.7513 -0.7288 -0.7102 -0.6907 -0.6235 -0.5784 -0.5780 -0.5372 -0.5039 -0.4446 -0.4159 -0.3336 -0.3211 0.6754 0.7046 1.2448 1.2655 2.2242 2.3456 2.8196 2.9545 3.6487 3.7066 3.9652 3.9960 9.7046 9.7630 9.8121 9.8385 10.0094 10.0114 12.0325 12.0463 k = 0.4136 0.4384-0.0000 ( 3154 PWs) bands (ev): -6.8970 -6.8965 -6.7045 -6.7036 -1.0904 -1.0425 -0.9634 -0.9160 -0.9116 -0.8779 -0.8500 -0.7492 -0.7300 -0.7104 -0.6894 -0.6176 -0.5764 -0.5756 -0.5379 -0.5042 -0.4443 -0.4159 -0.3317 -0.3174 0.6937 0.7251 1.2429 1.2648 2.1960 2.3181 2.7982 2.9349 3.6206 3.6846 3.8964 3.9313 9.7312 9.7405 9.9119 9.9908 10.0724 10.0866 12.0928 12.0939 k = 0.4074 0.4491-0.0000 ( 3158 PWs) bands (ev): -6.8876 -6.8871 -6.7058 -6.7049 -1.0893 -1.0424 -0.9604 -0.9141 -0.9109 -0.8780 -0.8473 -0.7482 -0.7310 -0.7103 -0.6876 -0.6117 -0.5745 -0.5734 -0.5381 -0.5046 -0.4436 -0.4157 -0.3301 -0.3138 0.7132 0.7471 1.2399 1.2628 2.1623 2.2798 2.7905 2.9238 3.5898 3.6599 3.8305 3.8694 9.7043 9.7099 10.0245 10.1415 10.1682 10.1760 12.1426 12.1634 k = 0.4012 0.4597-0.0000 ( 3162 PWs) bands (ev): -6.8779 -6.8773 -6.7075 -6.7065 -1.0880 -1.0429 -0.9565 -0.9125 -0.9102 -0.8789 -0.8436 -0.7484 -0.7319 -0.7101 -0.6853 -0.6060 -0.5726 -0.5713 -0.5378 -0.5051 -0.4423 -0.4152 -0.3291 -0.3102 0.7341 0.7705 1.2354 1.2593 2.1239 2.2332 2.7947 2.9212 3.5567 3.6320 3.7687 3.8107 9.6641 9.6745 10.1272 10.2577 10.2827 10.2993 12.1889 12.2386 k = 0.3951 0.4704-0.0000 ( 3164 PWs) bands (ev): -6.8679 -6.8673 -6.7096 -6.7086 -1.0866 -1.0439 -0.9521 -0.9111 -0.9092 -0.8804 -0.8392 -0.7496 -0.7326 -0.7099 -0.6828 -0.6004 -0.5707 -0.5695 -0.5369 -0.5057 -0.4405 -0.4143 -0.3286 -0.3068 0.7560 0.7951 1.2294 1.2540 2.0822 2.1812 2.8085 2.9262 3.5218 3.6006 3.7121 3.7556 9.6236 9.6354 10.2180 10.3464 10.4044 10.4423 12.2263 12.2967 k = 0.3889 0.4811-0.0000 ( 3176 PWs) bands (ev): -6.8576 -6.8569 -6.7121 -6.7111 -1.0850 -1.0454 -0.9473 -0.9102 -0.9080 -0.8823 -0.8345 -0.7517 -0.7331 -0.7099 -0.6800 -0.5952 -0.5690 -0.5680 -0.5354 -0.5064 -0.4382 -0.4131 -0.3288 -0.3037 0.7789 0.8211 1.2217 1.2468 2.0388 2.1267 2.8296 2.9380 3.4857 3.5655 3.6614 3.7039 9.5845 9.5962 10.2997 10.4301 10.5233 10.5769 12.2628 12.3339 k = 0.3827 0.4918-0.0000 ( 3168 PWs) bands (ev): -6.8472 -6.8464 -6.7152 -6.7141 -1.0833 -1.0472 -0.9421 -0.9094 -0.9067 -0.8843 -0.8294 -0.7543 -0.7332 -0.7102 -0.6770 -0.5902 -0.5674 -0.5668 -0.5334 -0.5070 -0.4353 -0.4115 -0.3297 -0.3008 0.8026 0.8481 1.2121 1.2375 1.9954 2.0721 2.8564 2.9558 3.4494 3.5276 3.6164 3.6554 9.5479 9.5587 10.3740 10.5088 10.6324 10.6974 12.3089 12.3831 k = 0.3765 0.5025-0.0000 ( 3164 PWs) bands (ev): -6.8366 -6.8358 -6.7188 -6.7177 -1.0815 -1.0493 -0.9367 -0.9087 -0.9055 -0.8866 -0.8241 -0.7575 -0.7331 -0.7107 -0.6742 -0.5856 -0.5659 -0.5658 -0.5308 -0.5077 -0.4319 -0.4095 -0.3316 -0.2983 0.8267 0.8762 1.2007 1.2259 1.9536 2.0193 2.8875 2.9785 3.4139 3.4886 3.5759 3.6095 9.5144 9.5241 10.4415 10.5824 10.7268 10.7996 12.3715 12.4494 k = 0.3704 0.5132-0.0000 ( 3164 PWs) bands (ev): -6.8259 -6.8251 -6.7231 -6.7220 -1.0795 -1.0515 -0.9313 -0.9081 -0.9046 -0.8889 -0.8188 -0.7610 -0.7327 -0.7116 -0.6716 -0.5815 -0.5652 -0.5647 -0.5279 -0.5084 -0.4279 -0.4070 -0.3344 -0.2963 0.8510 0.9050 1.1875 1.2121 1.9146 1.9698 2.9221 3.0054 3.3797 3.4506 3.5384 3.5663 9.4846 9.4929 10.5024 10.6504 10.8035 10.8799 12.4541 12.5345 k = 0.3642 0.5239-0.0000 ( 3164 PWs) bands (ev): -6.8153 -6.8144 -6.7280 -6.7269 -1.0775 -1.0539 -0.9260 -0.9075 -0.9038 -0.8914 -0.8134 -0.7649 -0.7320 -0.7128 -0.6693 -0.5777 -0.5647 -0.5638 -0.5249 -0.5091 -0.4233 -0.4041 -0.3382 -0.2948 0.8750 0.9343 1.1726 1.1960 1.8798 1.9249 2.9596 3.0359 3.3472 3.4145 3.5033 3.5257 9.4589 9.4657 10.5566 10.7129 10.8614 10.9370 12.5570 12.6379 k = 0.3580 0.5346-0.0000 ( 3162 PWs) bands (ev): -6.8047 -6.8038 -6.7337 -6.7325 -1.0754 -1.0563 -0.9209 -0.9069 -0.9032 -0.8939 -0.8081 -0.7690 -0.7309 -0.7143 -0.6674 -0.5745 -0.5643 -0.5632 -0.5218 -0.5098 -0.4182 -0.4008 -0.3431 -0.2939 0.8981 0.9638 1.1565 1.1778 1.8503 1.8856 2.9992 3.0692 3.3159 3.3801 3.4713 3.4887 9.4376 9.4430 10.6035 10.7696 10.9016 10.9716 12.6777 12.7565 k = 0.3519 0.5453-0.0000 ( 3162 PWs) bands (ev): -6.7943 -6.7933 -6.7401 -6.7390 -1.0732 -1.0589 -0.9162 -0.9064 -0.9029 -0.8964 -0.8028 -0.7734 -0.7294 -0.7161 -0.6659 -0.5717 -0.5641 -0.5630 -0.5189 -0.5105 -0.4127 -0.3974 -0.3488 -0.2935 0.9194 0.9930 1.1400 1.1578 1.8271 1.8529 3.0406 3.1047 3.2849 3.3465 3.4439 3.4566 9.4209 9.4248 10.6424 10.8207 10.9264 10.9862 12.8099 12.8831 k = 0.3457 0.5560-0.0000 ( 3170 PWs) bands (ev): -6.7841 -6.7830 -6.7473 -6.7462 -1.0710 -1.0614 -0.9118 -0.9059 -0.9029 -0.8991 -0.7976 -0.7779 -0.7276 -0.7182 -0.6648 -0.5695 -0.5640 -0.5631 -0.5165 -0.5113 -0.4069 -0.3944 -0.3550 -0.2935 0.9375 1.0212 1.1244 1.1366 1.8110 1.8277 3.0832 3.1414 3.2527 3.3122 3.4233 3.4313 9.4090 9.4115 10.6722 10.8660 10.9397 10.9839 12.9416 12.9894 k = 0.3395 0.5667-0.0000 ( 3174 PWs) bands (ev): -6.7742 -6.7730 -6.7553 -6.7543 -1.0687 -1.0638 -0.9079 -0.9055 -0.9031 -0.9017 -0.7925 -0.7826 -0.7255 -0.7205 -0.6642 -0.5678 -0.5639 -0.5635 -0.5145 -0.5122 -0.4010 -0.3930 -0.3603 -0.2938 0.9504 1.0464 1.1120 1.1162 1.8027 1.8107 3.1252 3.1764 3.2187 3.2782 3.4111 3.4148 9.4020 9.4033 10.6912 10.9053 10.9453 10.9681 13.0407 13.0574 k = 0.3333 0.5774-0.0000 ( 3174 PWs) bands (ev): -6.7661 -6.7638 -6.7628 -6.7628 -1.0663 -1.0663 -0.9054 -0.9054 -0.9035 -0.9035 -0.7875 -0.7875 -0.7230 -0.7230 -0.6640 -0.5670 -0.5638 -0.5638 -0.5132 -0.5132 -0.3955 -0.3955 -0.3625 -0.2940 0.9552 1.0596 1.1059 1.1059 1.8024 1.8024 3.1535 3.1952 3.1952 3.2579 3.4080 3.4080 9.4001 9.4001 10.6978 10.9328 10.9472 10.9472 13.0675 13.1083 k = 0.3333 0.5774-0.0000 ( 3174 PWs) bands (ev): -6.7661 -6.7638 -6.7628 -6.7628 -1.0663 -1.0663 -0.9054 -0.9054 -0.9035 -0.9035 -0.7875 -0.7875 -0.7230 -0.7230 -0.6640 -0.5670 -0.5638 -0.5638 -0.5132 -0.5132 -0.3955 -0.3955 -0.3625 -0.2940 0.9552 1.0596 1.1059 1.1059 1.8024 1.8024 3.1535 3.1952 3.1952 3.2579 3.4080 3.4080 9.4001 9.4001 10.6978 10.9328 10.9472 10.9472 13.0675 13.1083 k = 0.3270 0.5665-0.0000 ( 3166 PWs) bands (ev): -6.7747 -6.7734 -6.7550 -6.7539 -1.0687 -1.0638 -0.9074 -0.9057 -0.9038 -0.9013 -0.7925 -0.7825 -0.7257 -0.7202 -0.6642 -0.5678 -0.5638 -0.5636 -0.5142 -0.5125 -0.4032 -0.3908 -0.3604 -0.2936 0.9501 1.0468 1.1085 1.1200 1.8032 1.8106 3.1244 3.1702 3.2251 3.2784 3.4115 3.4148 9.4022 9.4034 10.6909 10.9028 10.9481 10.9688 13.0432 13.0665 k = 0.3208 0.5556-0.0000 ( 3164 PWs) bands (ev): -6.7857 -6.7845 -6.7461 -6.7449 -1.0710 -1.0613 -0.9103 -0.9068 -0.9036 -0.8991 -0.7978 -0.7777 -0.7287 -0.7172 -0.6648 -0.5696 -0.5638 -0.5632 -0.5153 -0.5126 -0.4145 -0.3876 -0.3556 -0.2922 0.9360 1.0232 1.1195 1.1439 1.8134 1.8271 3.0787 3.1272 3.2675 3.3129 3.4254 3.4320 9.4096 9.4119 10.6709 10.8595 10.9488 10.9901 12.9795 12.9984 k = 0.3145 0.5447-0.0000 ( 3160 PWs) bands (ev): -6.7978 -6.7967 -6.7378 -6.7365 -1.0732 -1.0588 -0.9132 -0.9085 -0.9034 -0.8976 -0.8032 -0.7732 -0.7318 -0.7140 -0.6658 -0.5721 -0.5639 -0.5632 -0.5164 -0.5135 -0.4277 -0.3864 -0.3495 -0.2892 0.9163 0.9975 1.1368 1.1696 1.8326 1.8517 3.0291 3.0798 3.3094 3.3475 3.4494 3.4599 9.4224 9.4257 10.6398 10.8103 10.9487 11.0049 12.8757 12.9101 k = 0.3082 0.5338-0.0000 ( 3160 PWs) bands (ev): -6.8110 -6.8099 -6.7301 -6.7287 -1.0753 -1.0564 -0.9162 -0.9106 -0.9032 -0.8966 -0.8088 -0.7688 -0.7350 -0.7108 -0.6673 -0.5753 -0.5640 -0.5637 -0.5176 -0.5152 -0.4421 -0.3874 -0.3428 -0.2846 0.8936 0.9718 1.1584 1.1962 1.8603 1.8837 2.9775 3.0304 3.3497 3.3807 3.4830 3.4971 9.4405 9.4446 10.5999 10.7566 10.9462 11.0131 12.7554 12.8023 k = 0.3019 0.5229-0.0000 ( 3158 PWs) bands (ev): -6.8252 -6.8241 -6.7231 -6.7217 -1.0774 -1.0540 -0.9192 -0.9131 -0.9030 -0.8964 -0.8146 -0.7647 -0.7383 -0.7075 -0.6691 -0.5790 -0.5648 -0.5642 -0.5186 -0.5175 -0.4570 -0.3904 -0.3359 -0.2785 0.8700 0.9471 1.1836 1.2240 1.8958 1.9226 2.9246 2.9798 3.3888 3.4138 3.5245 3.5414 9.4638 9.4688 10.5535 10.6992 10.9402 11.0144 12.6304 12.6836 k = 0.2956 0.5120-0.0000 ( 3158 PWs) bands (ev): -6.8404 -6.8393 -6.7168 -6.7153 -1.0793 -1.0516 -0.9224 -0.9161 -0.9029 -0.8968 -0.8207 -0.7610 -0.7418 -0.7044 -0.6712 -0.5835 -0.5666 -0.5644 -0.5205 -0.5196 -0.4717 -0.3950 -0.3291 -0.2715 0.8467 0.9239 1.2120 1.2534 1.9382 1.9676 2.8710 2.9286 3.4279 3.4483 3.5720 3.5904 9.4922 9.4979 10.5020 10.6391 10.9298 11.0090 12.5044 12.5610 k = 0.2893 0.5011-0.0000 ( 3164 PWs) bands (ev): -6.8567 -6.8557 -6.7113 -6.7097 -1.0812 -1.0493 -0.9257 -0.9196 -0.9028 -0.8979 -0.8269 -0.7576 -0.7453 -0.7015 -0.6738 -0.5888 -0.5692 -0.5647 -0.5241 -0.5204 -0.4858 -0.4007 -0.3228 -0.2640 0.8246 0.9028 1.2437 1.2849 1.9866 2.0181 2.8172 2.8773 3.4682 3.4851 3.6238 3.6427 9.5257 9.5320 10.4468 10.5766 10.9145 10.9970 12.3789 12.4375 k = 0.2830 0.4902-0.0000 ( 3160 PWs) bands (ev): -6.8740 -6.8730 -6.7066 -6.7049 -1.0830 -1.0472 -0.9291 -0.9235 -0.9028 -0.8996 -0.8334 -0.7547 -0.7489 -0.6988 -0.6766 -0.5949 -0.5724 -0.5650 -0.5281 -0.5211 -0.4987 -0.4070 -0.3171 -0.2566 0.8045 0.8844 1.2787 1.3191 2.0401 2.0734 2.7638 2.8263 3.5104 3.5246 3.6785 3.6972 9.5640 9.5708 10.3886 10.5123 10.8940 10.9786 12.2550 12.3148 k = 0.2767 0.4793-0.0000 ( 3168 PWs) bands (ev): -6.8923 -6.8914 -6.7028 -6.7011 -1.0846 -1.0452 -0.9327 -0.9279 -0.9030 -0.9019 -0.8401 -0.7525 -0.7524 -0.6965 -0.6798 -0.6018 -0.5764 -0.5654 -0.5325 -0.5220 -0.5098 -0.4136 -0.3122 -0.2497 0.7868 0.8689 1.3172 1.3564 2.0980 2.1331 2.7113 2.7760 3.5548 3.5670 3.7352 3.7533 9.6071 9.6142 10.3282 10.4465 10.8686 10.9544 12.1333 12.1938 k = 0.2704 0.4684-0.0000 ( 3164 PWs) bands (ev): -6.9117 -6.9108 -6.6998 -6.6981 -1.0862 -1.0432 -0.9364 -0.9326 -0.9049 -0.9032 -0.8470 -0.7562 -0.7507 -0.6947 -0.6831 -0.6094 -0.5809 -0.5660 -0.5370 -0.5241 -0.5178 -0.4202 -0.3083 -0.2436 0.7719 0.8567 1.3593 1.3969 2.1592 2.1966 2.6605 2.7268 3.6017 3.6122 3.7934 3.8107 9.6547 9.6621 10.2661 10.3796 10.8383 10.9249 12.0140 12.0750 k = 0.2642 0.4575-0.0000 ( 3164 PWs) bands (ev): -6.9319 -6.9311 -6.6978 -6.6960 -1.0877 -1.0415 -0.9403 -0.9379 -0.9084 -0.9036 -0.8540 -0.7600 -0.7499 -0.6934 -0.6866 -0.6172 -0.5858 -0.5667 -0.5416 -0.5301 -0.5201 -0.4267 -0.3055 -0.2387 0.7600 0.8479 1.4051 1.4410 2.2226 2.2634 2.6126 2.6792 3.6508 3.6599 3.8527 3.8690 9.7066 9.7142 10.2026 10.3117 10.8036 10.8906 11.8977 11.9588 k = 0.2579 0.4466-0.0000 ( 3160 PWs) bands (ev): -6.9532 -6.9523 -6.6967 -6.6949 -1.0890 -1.0400 -0.9444 -0.9436 -0.9125 -0.9043 -0.8609 -0.7637 -0.7501 -0.6929 -0.6902 -0.6246 -0.5908 -0.5675 -0.5460 -0.5367 -0.5204 -0.4330 -0.3040 -0.2350 0.7513 0.8425 1.4545 1.4887 2.2860 2.3330 2.5697 2.6338 3.7021 3.7101 3.9129 3.9280 9.7627 9.7702 10.1381 10.2431 10.7649 10.8522 11.7845 11.8455 k = 0.2516 0.4357-0.0000 ( 3160 PWs) bands (ev): -6.9752 -6.9745 -6.6966 -6.6947 -1.0903 -1.0387 -0.9497 -0.9489 -0.9170 -0.9052 -0.8677 -0.7675 -0.7514 -0.6938 -0.6930 -0.6313 -0.5959 -0.5686 -0.5501 -0.5424 -0.5203 -0.4390 -0.3037 -0.2327 0.7455 0.8403 1.5076 1.5401 2.3435 2.4046 2.5378 2.5914 3.7554 3.7625 3.9735 3.9875 9.8227 9.8300 10.0729 10.1739 10.7228 10.8104 11.6747 11.7355 k = 0.2453 0.4248-0.0000 ( 3160 PWs) bands (ev): -6.9981 -6.9974 -6.6975 -6.6955 -1.0915 -1.0376 -0.9563 -0.9536 -0.9219 -0.9066 -0.8742 -0.7713 -0.7539 -0.6973 -0.6936 -0.6369 -0.6009 -0.5700 -0.5538 -0.5475 -0.5201 -0.4448 -0.3046 -0.2318 0.7427 0.8411 1.5645 1.5953 2.3785 2.4756 2.5339 2.5551 3.8104 3.8168 4.0346 4.0474 9.8860 9.8930 10.0072 10.1041 10.6777 10.7659 11.5686 11.6290 k = 0.2390 0.4139-0.0000 ( 3160 PWs) bands (ev): -7.0218 -7.0211 -6.6992 -6.6972 -1.0926 -1.0368 -0.9631 -0.9588 -0.9272 -0.9087 -0.8801 -0.7752 -0.7576 -0.7007 -0.6948 -0.6414 -0.6057 -0.5717 -0.5570 -0.5520 -0.5198 -0.4503 -0.3067 -0.2322 0.7423 0.8445 1.6250 1.6542 2.3759 2.5030 2.5680 2.5733 3.8670 3.8728 4.0959 4.1075 9.9350 9.9586 9.9587 10.0341 10.6302 10.7195 11.4664 11.5261 k = 0.2327 0.4031-0.0000 ( 3160 PWs) bands (ev): -7.0462 -7.0455 -6.7020 -6.6999 -1.0937 -1.0362 -0.9703 -0.9644 -0.9326 -0.9118 -0.8849 -0.7792 -0.7622 -0.7039 -0.6961 -0.6451 -0.6101 -0.5737 -0.5596 -0.5561 -0.5194 -0.4556 -0.3098 -0.2338 0.7440 0.8498 1.6892 1.7168 2.3541 2.4761 2.6381 2.6411 3.9249 3.9302 4.1573 4.1676 9.8722 9.9624 10.0243 10.0275 10.5811 10.6722 11.3684 11.4273 k = 0.2264 0.3922-0.0000 ( 3158 PWs) bands (ev): -7.0712 -7.0706 -6.7056 -6.7035 -1.0946 -1.0360 -0.9776 -0.9705 -0.9380 -0.9160 -0.8886 -0.7831 -0.7675 -0.7069 -0.6977 -0.6484 -0.6140 -0.5760 -0.5617 -0.5596 -0.5191 -0.4606 -0.3137 -0.2365 0.7471 0.8563 1.7569 1.7831 2.3293 2.4496 2.7124 2.7202 3.9840 3.9889 4.2186 4.2277 9.8049 9.8914 10.0957 10.0960 10.5312 10.6252 11.2748 11.3327 k = 0.2201 0.3813-0.0000 ( 3156 PWs) bands (ev): -7.0967 -7.0962 -6.7101 -6.7081 -1.0956 -1.0361 -0.9850 -0.9770 -0.9435 -0.9212 -0.8912 -0.7871 -0.7732 -0.7096 -0.6994 -0.6519 -0.6170 -0.5784 -0.5635 -0.5628 -0.5187 -0.4653 -0.3184 -0.2401 0.7510 0.8632 1.8282 1.8530 2.3075 2.4280 2.7911 2.8013 4.0438 4.0485 4.2798 4.2876 9.7369 9.8196 10.1631 10.1673 10.4826 10.5813 11.1859 11.2426 k = 0.2138 0.3704-0.0000 ( 3164 PWs) bands (ev): -7.1228 -7.1222 -6.7156 -6.7135 -1.0965 -1.0366 -0.9924 -0.9839 -0.9489 -0.9271 -0.8930 -0.7912 -0.7790 -0.7120 -0.7012 -0.6558 -0.6192 -0.5808 -0.5657 -0.5650 -0.5185 -0.4699 -0.3236 -0.2444 0.7550 0.8696 1.9030 1.9264 2.2911 2.4123 2.8721 2.8835 4.1043 4.1089 4.3407 4.3472 9.6683 9.7471 10.2231 10.2329 10.4412 10.5457 11.1020 11.1572 k = 0.2075 0.3595-0.0000 ( 3164 PWs) bands (ev): -7.1492 -7.1487 -6.7218 -6.7197 -1.0973 -1.0374 -0.9997 -0.9910 -0.9543 -0.9335 -0.8943 -0.7953 -0.7848 -0.7141 -0.7033 -0.6602 -0.6204 -0.5832 -0.5683 -0.5663 -0.5184 -0.4743 -0.3290 -0.2492 0.7583 0.8745 1.9811 2.0032 2.2815 2.4034 2.9547 2.9666 4.1651 4.1698 4.4012 4.4065 9.5991 9.6739 10.2637 10.2705 10.4289 10.5308 11.0234 11.0769 k = 0.2013 0.3486-0.0000 ( 3160 PWs) bands (ev): -7.1759 -7.1755 -6.7288 -6.7267 -1.0981 -1.0387 -1.0066 -0.9983 -0.9595 -0.9401 -0.8951 -0.7994 -0.7903 -0.7159 -0.7057 -0.6651 -0.6209 -0.5855 -0.5705 -0.5675 -0.5183 -0.4784 -0.3346 -0.2543 0.7604 0.8771 2.0626 2.0834 2.2799 2.4019 3.0382 3.0502 4.2261 4.2308 4.4613 4.4652 9.5291 9.5998 10.2536 10.2694 10.4719 10.5516 10.9502 11.0019 k = 0.1950 0.3377-0.0000 ( 3156 PWs) bands (ev): -7.2029 -7.2025 -6.7365 -6.7344 -1.0988 -1.0405 -1.0130 -1.0057 -0.9647 -0.9467 -0.8957 -0.8035 -0.7956 -0.7174 -0.7085 -0.6702 -0.6207 -0.5877 -0.5723 -0.5687 -0.5183 -0.4823 -0.3403 -0.2596 0.7605 0.8768 2.1472 2.1667 2.2871 2.4085 3.1224 3.1342 4.2870 4.2919 4.5208 4.5234 9.4583 9.5247 10.2076 10.2426 10.5444 10.6054 10.8827 10.9325 k = 0.1887 0.3268-0.0000 ( 3152 PWs) bands (ev): -7.2300 -7.2297 -6.7450 -6.7428 -1.0995 -1.0430 -1.0188 -1.0130 -0.9698 -0.9534 -0.8962 -0.8076 -0.8006 -0.7186 -0.7117 -0.6755 -0.6200 -0.5897 -0.5739 -0.5698 -0.5184 -0.4860 -0.3457 -0.2650 0.7583 0.8729 2.2347 2.2519 2.3048 2.4235 3.2067 3.2181 4.3476 4.3527 4.5796 4.5809 9.3865 9.4486 10.1523 10.1982 10.6259 10.6769 10.8213 10.8692 k = 0.1824 0.3159-0.0000 ( 3146 PWs) bands (ev): -7.2572 -7.2569 -6.7540 -6.7519 -1.1002 -1.0461 -1.0239 -1.0202 -0.9748 -0.9601 -0.8965 -0.8116 -0.8054 -0.7195 -0.7154 -0.6807 -0.6190 -0.5916 -0.5752 -0.5709 -0.5187 -0.4895 -0.3509 -0.2704 0.7533 0.8652 2.3204 2.3246 2.3516 2.4477 3.2910 3.3019 4.4075 4.4130 4.6377 4.6377 9.3136 9.3714 10.0930 10.1450 10.7089 10.7524 10.7703 10.8141 k = 0.1761 0.3050-0.0000 ( 3150 PWs) bands (ev): -7.2844 -7.2841 -6.7636 -6.7615 -1.1008 -1.0498 -1.0283 -1.0272 -0.9799 -0.9667 -0.8967 -0.8157 -0.8099 -0.7203 -0.7197 -0.6857 -0.6177 -0.5934 -0.5763 -0.5720 -0.5190 -0.4928 -0.3559 -0.2756 0.7455 0.8537 2.3592 2.4150 2.4406 2.4830 3.3750 3.3852 4.4667 4.4726 4.6936 4.6950 9.2395 9.2929 10.0311 10.0869 10.7155 10.7472 10.8112 10.8417 k = 0.1698 0.2941-0.0000 ( 3150 PWs) bands (ev): -7.3115 -7.3112 -6.7737 -6.7716 -1.1014 -1.0540 -1.0338 -1.0320 -0.9849 -0.9731 -0.8969 -0.8198 -0.8141 -0.7244 -0.7208 -0.6902 -0.6163 -0.5950 -0.5772 -0.5731 -0.5195 -0.4957 -0.3605 -0.2807 0.7347 0.8384 2.4034 2.4951 2.5361 2.5400 3.4584 3.4679 4.5249 4.5311 4.7487 4.7514 9.1640 9.2131 9.9673 10.0254 10.6729 10.7082 10.8922 10.9267 k = 0.1635 0.2832-0.0000 ( 3150 PWs) bands (ev): -7.3384 -7.3381 -6.7842 -6.7821 -1.1020 -1.0585 -1.0402 -1.0352 -0.9898 -0.9795 -0.8969 -0.8238 -0.8181 -0.7297 -0.7210 -0.6943 -0.6148 -0.5965 -0.5779 -0.5742 -0.5199 -0.4984 -0.3647 -0.2856 0.7212 0.8198 2.4557 2.5546 2.6285 2.6350 3.5409 3.5496 4.5818 4.5885 4.8029 4.8068 9.0872 9.1318 9.9015 9.9612 10.6366 10.6701 10.9780 11.0116 k = 0.1572 0.2723-0.0000 ( 3154 PWs) bands (ev): -7.3650 -7.3648 -6.7950 -6.7930 -1.1026 -1.0630 -1.0462 -1.0382 -0.9947 -0.9857 -0.8970 -0.8277 -0.8220 -0.7355 -0.7212 -0.6980 -0.6132 -0.5978 -0.5785 -0.5753 -0.5205 -0.5009 -0.3685 -0.2902 0.7051 0.7982 2.5159 2.6130 2.7286 2.7368 3.6224 3.6301 4.6374 4.6443 4.8560 4.8612 9.0088 9.0491 9.8336 9.8944 10.6067 10.6377 11.0627 11.0951 k = 0.1509 0.2614-0.0000 ( 3160 PWs) bands (ev): -7.3912 -7.3910 -6.8061 -6.8041 -1.1032 -1.0675 -1.0518 -1.0410 -0.9996 -0.9918 -0.8969 -0.8316 -0.8257 -0.7416 -0.7211 -0.7011 -0.6115 -0.5991 -0.5790 -0.5764 -0.5210 -0.5030 -0.3720 -0.2946 0.6867 0.7740 2.5834 2.6769 2.8331 2.8413 3.7025 3.7093 4.6914 4.6986 4.9081 4.9144 8.9287 8.9650 9.7637 9.8250 10.5835 10.6118 11.1447 11.1758 k = 0.1447 0.2505-0.0000 ( 3152 PWs) bands (ev): -7.4170 -7.4169 -6.8175 -6.8155 -1.1037 -1.0717 -1.0570 -1.0437 -1.0043 -0.9976 -0.8967 -0.8354 -0.8292 -0.7479 -0.7209 -0.7038 -0.6098 -0.6001 -0.5793 -0.5775 -0.5215 -0.5048 -0.3750 -0.2987 0.6665 0.7479 2.6577 2.7470 2.9407 2.9483 3.7811 3.7868 4.7436 4.7510 4.9591 4.9665 8.8470 8.8792 9.6915 9.7530 10.5668 10.5924 11.2227 11.2524 k = 0.1384 0.2397-0.0000 ( 3148 PWs) bands (ev): -7.4423 -7.4422 -6.8289 -6.8270 -1.1043 -1.0757 -1.0618 -1.0463 -1.0089 -1.0033 -0.8965 -0.8391 -0.8326 -0.7543 -0.7206 -0.7061 -0.6081 -0.6011 -0.5796 -0.5786 -0.5219 -0.5064 -0.3778 -0.3027 0.6447 0.7203 2.7381 2.8230 3.0509 3.0576 3.8579 3.8626 4.7940 4.8014 5.0089 5.0172 8.7635 8.7919 9.6167 9.6782 10.5566 10.5796 11.2954 11.3234 k = 0.1321 0.2288-0.0000 ( 3150 PWs) bands (ev): -7.4670 -7.4669 -6.8405 -6.8386 -1.1048 -1.0795 -1.0663 -1.0490 -1.0135 -1.0088 -0.8962 -0.8427 -0.8360 -0.7609 -0.7201 -0.7080 -0.6065 -0.6019 -0.5799 -0.5797 -0.5221 -0.5076 -0.3802 -0.3064 0.6218 0.6917 2.8240 2.9047 3.1634 3.1691 3.9328 3.9364 4.8425 4.8496 5.0574 5.0664 8.6782 8.7029 9.5393 9.6005 10.5529 10.5733 11.3613 11.3874 k = 0.1258 0.2179-0.0000 ( 3146 PWs) bands (ev): -7.4910 -7.4909 -6.8520 -6.8502 -1.1053 -1.0830 -1.0704 -1.0516 -1.0180 -1.0140 -0.8958 -0.8461 -0.8392 -0.7674 -0.7196 -0.7095 -0.6048 -0.6026 -0.5808 -0.5802 -0.5222 -0.5086 -0.3823 -0.3100 0.5980 0.6624 2.9147 2.9913 3.2780 3.2826 4.0055 4.0081 4.8891 4.8957 5.1045 5.1141 8.5910 8.6122 9.4589 9.5196 10.5556 10.5736 11.4192 11.4431 k = 0.1195 0.2070-0.0000 ( 3146 PWs) bands (ev): -7.5143 -7.5143 -6.8634 -6.8617 -1.1057 -1.0863 -1.0742 -1.0543 -1.0223 -1.0191 -0.8953 -0.8494 -0.8423 -0.7738 -0.7190 -0.7108 -0.6032 -0.6032 -0.5818 -0.5806 -0.5221 -0.5093 -0.3842 -0.3134 0.5738 0.6329 3.0097 3.0824 3.3943 3.3976 4.0761 4.0775 4.9335 4.9394 5.1501 5.1601 8.5018 8.5198 9.3756 9.4355 10.5645 10.5802 11.4677 11.4892 k = 0.1132 0.1961-0.0000 ( 3138 PWs) bands (ev): -7.5368 -7.5368 -6.8747 -6.8731 -1.1062 -1.0893 -1.0776 -1.0569 -1.0265 -1.0239 -0.8947 -0.8526 -0.8453 -0.7802 -0.7183 -0.7118 -0.6036 -0.6016 -0.5828 -0.5809 -0.5218 -0.5098 -0.3859 -0.3167 0.5494 0.6034 3.1084 3.1775 3.5120 3.5141 4.1444 4.1448 4.9760 4.9808 5.1940 5.2043 8.4107 8.4256 9.2891 9.3481 10.5794 10.5930 11.5056 11.5246 k = 0.1069 0.1852-0.0000 ( 3142 PWs) bands (ev): -7.5585 -7.5584 -6.8858 -6.8842 -1.1066 -1.0921 -1.0807 -1.0596 -1.0305 -1.0284 -0.8941 -0.8556 -0.8482 -0.7864 -0.7177 -0.7125 -0.6039 -0.6002 -0.5838 -0.5814 -0.5213 -0.5100 -0.3874 -0.3199 0.5252 0.5743 3.2102 3.2759 3.6308 3.6314 4.2098 4.2105 5.0165 5.0199 5.2363 5.2466 8.3176 8.3297 9.1995 9.2573 10.6002 10.6117 11.5322 11.5487 k = 0.1006 0.1743-0.0000 ( 3142 PWs) bands (ev): -7.5792 -7.5792 -6.8966 -6.8951 -1.1070 -1.0946 -1.0836 -1.0622 -1.0344 -1.0328 -0.8933 -0.8584 -0.8510 -0.7925 -0.7169 -0.7130 -0.6041 -0.5988 -0.5847 -0.5819 -0.5205 -0.5100 -0.3886 -0.3230 0.5012 0.5458 3.3145 3.3770 3.7492 3.7500 4.2728 4.2745 5.0550 5.0566 5.2766 5.2868 8.2225 8.2319 9.1069 9.1633 10.6266 10.6361 11.5469 11.5608 k = 0.0943 0.1634-0.0000 ( 3142 PWs) bands (ev): -7.5990 -7.5990 -6.9071 -6.9057 -1.1074 -1.0970 -1.0862 -1.0648 -1.0381 -1.0368 -0.8924 -0.8610 -0.8537 -0.7983 -0.7162 -0.7133 -0.6041 -0.5975 -0.5855 -0.5825 -0.5194 -0.5098 -0.3897 -0.3262 0.4779 0.5181 3.4206 3.4802 3.8665 3.8689 4.3343 4.3368 5.0910 5.0916 5.3149 5.3249 8.1255 8.1323 9.0116 9.0663 10.6581 10.6657 11.5500 11.5613 k = 0.0881 0.1525-0.0000 ( 3146 PWs) bands (ev): -7.6177 -7.6177 -6.9172 -6.9158 -1.1078 -1.0991 -1.0885 -1.0674 -1.0416 -1.0407 -0.8914 -0.8635 -0.8563 -0.8041 -0.7155 -0.7134 -0.6041 -0.5964 -0.5863 -0.5832 -0.5182 -0.5094 -0.3906 -0.3293 0.4553 0.4914 3.5280 3.5848 3.9825 3.9864 4.3949 4.3979 5.1232 5.1265 5.3512 5.3607 8.0264 8.0309 8.9138 8.9667 10.6944 10.7001 11.5422 11.5510 k = 0.0818 0.1416-0.0000 ( 3146 PWs) bands (ev): -7.6353 -7.6353 -6.9268 -6.9255 -1.1082 -1.1011 -1.0906 -1.0699 -1.0449 -1.0442 -0.8902 -0.8657 -0.8587 -0.8096 -0.7147 -0.7134 -0.6040 -0.5953 -0.5870 -0.5839 -0.5167 -0.5089 -0.3914 -0.3324 0.4337 0.4659 3.6359 3.6901 4.0954 4.1007 4.4559 4.4590 5.1533 5.1598 5.3852 5.3941 7.9256 7.9279 8.8141 8.8649 10.7350 10.7388 11.5252 11.5314 k = 0.0755 0.1307-0.0000 ( 3142 PWs) bands (ev): -7.6519 -7.6519 -6.9360 -6.9347 -1.1085 -1.1028 -1.0924 -1.0724 -1.0479 -1.0475 -0.8890 -0.8677 -0.8610 -0.8149 -0.7140 -0.7132 -0.6038 -0.5943 -0.5875 -0.5848 -0.5150 -0.5082 -0.3919 -0.3356 0.4131 0.4417 3.7435 3.7951 4.2030 4.2092 4.5197 4.5218 5.1813 5.1917 5.4170 5.4250 7.8230 7.8233 8.7131 8.7616 10.7792 10.7811 11.5010 11.5048 k = 0.0692 0.1198-0.0000 ( 3140 PWs) bands (ev): -7.6672 -7.6672 -6.9445 -6.9434 -1.1089 -1.1045 -1.0939 -1.0749 -1.0508 -1.0505 -0.8876 -0.8695 -0.8631 -0.8199 -0.7134 -0.7129 -0.6034 -0.5934 -0.5880 -0.5856 -0.5132 -0.5075 -0.3922 -0.3388 0.3938 0.4190 3.8497 3.8989 4.3020 4.3080 4.5888 4.5895 5.2076 5.2227 5.4464 5.4535 7.7174 7.7190 8.6117 8.6577 10.8263 10.8263 11.4718 11.4735 k = 0.0629 0.1089-0.0000 ( 3140 PWs) bands (ev): -7.6814 -7.6814 -6.9525 -6.9515 -1.1093 -1.1059 -1.0952 -1.0772 -1.0534 -1.0533 -0.8860 -0.8711 -0.8652 -0.8248 -0.7127 -0.7126 -0.6031 -0.5926 -0.5885 -0.5865 -0.5114 -0.5066 -0.3923 -0.3421 0.3758 0.3979 3.9537 4.0003 4.3889 4.3932 4.6629 4.6684 5.2325 5.2531 5.4734 5.4793 7.6105 7.6138 8.5109 8.5542 10.8733 10.8754 11.4397 11.4400 k = 0.0566 0.0980-0.0000 ( 3132 PWs) bands (ev): -7.6943 -7.6943 -6.9598 -6.9589 -1.1097 -1.1072 -1.0962 -1.0795 -1.0558 -1.0557 -0.8843 -0.8725 -0.8670 -0.8295 -0.7122 -0.7121 -0.6026 -0.5919 -0.5888 -0.5875 -0.5094 -0.5056 -0.3922 -0.3454 0.3594 0.3785 4.0539 4.0980 4.4618 4.4634 4.7446 4.7570 5.2565 5.2838 5.4979 5.5026 7.5032 7.5081 8.4120 8.4523 10.9213 10.9255 11.4054 11.4075 k = 0.0503 0.0871-0.0000 ( 3128 PWs) bands (ev): -7.7059 -7.7059 -6.9665 -6.9657 -1.1101 -1.1083 -1.0970 -1.0818 -1.0579 -1.0579 -0.8825 -0.8737 -0.8687 -0.8339 -0.7118 -0.7115 -0.6021 -0.5914 -0.5890 -0.5884 -0.5075 -0.5046 -0.3917 -0.3488 0.3444 0.3608 4.1490 4.1902 4.5207 4.5216 4.8312 4.8518 5.2806 5.3159 5.5201 5.5232 7.3961 7.4024 8.3164 8.3534 10.9688 10.9754 11.3724 11.3761 k = 0.0440 0.0763-0.0000 ( 3128 PWs) bands (ev): -7.7163 -7.7163 -6.9724 -6.9717 -1.1105 -1.1093 -1.0976 -1.0839 -1.0598 -1.0598 -0.8806 -0.8747 -0.8702 -0.8382 -0.7114 -0.7110 -0.6015 -0.5910 -0.5893 -0.5892 -0.5058 -0.5037 -0.3910 -0.3523 0.3311 0.3450 4.2372 4.2751 4.5688 4.5716 4.9175 4.9467 5.3068 5.3510 5.5398 5.5411 7.2903 7.2978 8.2256 8.2591 11.0145 11.0237 11.3421 11.3473 k = 0.0377 0.0654-0.0000 ( 3132 PWs) bands (ev): -7.7253 -7.7253 -6.9777 -6.9770 -1.1109 -1.1102 -1.0979 -1.0859 -1.0615 -1.0615 -0.8786 -0.8755 -0.8717 -0.8422 -0.7110 -0.7106 -0.6009 -0.5911 -0.5898 -0.5894 -0.5041 -0.5027 -0.3900 -0.3559 0.3195 0.3310 4.3164 4.3503 4.6111 4.6149 4.9975 5.0342 5.3379 5.3908 5.5564 5.5573 7.1871 7.1955 8.1415 8.1711 11.0567 11.0684 11.3160 11.3224 k = 0.0314 0.0545-0.0000 ( 3124 PWs) bands (ev): -7.7330 -7.7329 -6.9821 -6.9816 -1.1113 -1.1109 -1.0979 -1.0878 -1.0628 -1.0628 -0.8766 -0.8758 -0.8729 -0.8461 -0.7107 -0.7102 -0.6002 -0.5918 -0.5899 -0.5895 -0.5026 -0.5017 -0.3886 -0.3595 0.3097 0.3190 4.3847 4.4137 4.6498 4.6535 5.0658 5.1067 5.3780 5.4366 5.5693 5.5729 7.0887 7.0976 8.0660 8.0914 11.0934 11.1073 11.2955 11.3027 k = 0.0252 0.0436-0.0000 ( 3123 PWs) bands (ev): -7.7392 -7.7392 -6.9858 -6.9853 -1.1117 -1.1115 -1.0977 -1.0895 -1.0640 -1.0639 -0.8767 -0.8739 -0.8738 -0.8498 -0.7103 -0.7099 -0.5995 -0.5927 -0.5897 -0.5895 -0.5014 -0.5009 -0.3869 -0.3631 0.3018 0.3090 4.4404 4.4636 4.6857 4.6884 5.1196 5.1584 5.4284 5.4868 5.5801 5.5870 6.9977 7.0066 8.0011 8.0220 11.1225 11.1373 11.2825 11.2895 k = 0.0189 0.0327-0.0000 ( 3115 PWs) bands (ev): -7.7442 -7.7441 -6.9886 -6.9883 -1.1120 -1.1119 -1.0973 -1.0911 -1.0648 -1.0648 -0.8769 -0.8748 -0.8713 -0.8533 -0.7100 -0.7097 -0.5988 -0.5936 -0.5896 -0.5895 -0.5004 -0.5002 -0.3848 -0.3666 0.2957 0.3010 4.4828 4.5000 4.7177 4.7191 5.1589 5.1901 5.4830 5.5350 5.5910 5.6008 6.9183 6.9264 7.9487 7.9647 11.1428 11.1560 11.2782 11.2834 k = 0.0126 0.0218-0.0000 ( 3115 PWs) bands (ev): -7.7477 -7.7477 -6.9906 -6.9904 -1.1122 -1.1122 -1.0967 -1.0925 -1.0654 -1.0654 -0.8769 -0.8756 -0.8687 -0.8567 -0.7098 -0.7096 -0.5980 -0.5945 -0.5895 -0.5895 -0.4998 -0.4997 -0.3824 -0.3701 0.2916 0.2951 4.5126 4.5237 4.7433 4.7438 5.1858 5.2070 5.5296 5.5665 5.6086 5.6161 6.8555 6.8618 7.9106 7.9215 11.1546 11.1640 11.2808 11.2830 k = 0.0063 0.0109-0.0000 ( 3107 PWs) bands (ev): -7.7498 -7.7498 -6.9918 -6.9917 -1.1124 -1.1124 -1.0959 -1.0938 -1.0658 -1.0658 -0.8768 -0.8761 -0.8659 -0.8599 -0.7096 -0.7095 -0.5971 -0.5954 -0.5894 -0.5894 -0.4994 -0.4993 -0.3797 -0.3735 0.2895 0.2912 4.5308 4.5362 4.7600 4.7600 5.2029 5.2135 5.5590 5.5753 5.6308 5.6321 6.8153 6.8188 7.8883 7.8937 11.1606 11.1653 11.2849 11.2853 k = 0.0000 0.0000 0.0000 ( 3099 PWs) bands (ev): -7.7505 -7.7505 -6.9922 -6.9922 -1.1124 -1.1124 -1.0949 -1.0949 -1.0659 -1.0659 -0.8765 -0.8765 -0.8630 -0.8630 -0.7095 -0.7095 -0.5963 -0.5963 -0.5894 -0.5894 -0.4992 -0.4992 -0.3767 -0.3767 0.2893 0.2893 4.5385 4.5385 4.7657 4.7657 5.2119 5.2119 5.5724 5.5724 5.6399 5.6399 6.8024 6.8024 7.8825 7.8825 11.1638 11.1638 11.2866 11.2866 k = 0.0000 0.0000 0.0000 ( 3099 PWs) bands (ev): -7.7505 -7.7505 -6.9922 -6.9922 -1.1124 -1.1124 -1.0949 -1.0949 -1.0659 -1.0659 -0.8765 -0.8765 -0.8630 -0.8630 -0.7095 -0.7095 -0.5963 -0.5963 -0.5894 -0.5894 -0.4992 -0.4992 -0.3767 -0.3767 0.2893 0.2893 4.5385 4.5385 4.7657 4.7657 5.2119 5.2119 5.5724 5.5724 5.6399 5.6399 6.8024 6.8024 7.8825 7.8825 11.1638 11.1638 11.2866 11.2866 k = 0.0000 0.0000 0.0126 ( 3099 PWs) bands (ev): -7.7498 -7.7498 -6.9932 -6.9932 -1.1124 -1.1124 -1.0949 -1.0949 -1.0659 -1.0659 -0.8765 -0.8765 -0.8634 -0.8634 -0.7100 -0.7100 -0.5962 -0.5962 -0.5893 -0.5893 -0.4993 -0.4993 -0.3800 -0.3800 0.2967 0.2967 4.5393 4.5393 4.7666 4.7666 5.2041 5.2041 5.5616 5.5616 5.6388 5.6388 6.8190 6.8190 7.8836 7.8836 11.1642 11.1642 11.2873 11.2873 k = 0.0000 0.0000 0.0251 ( 3111 PWs) bands (ev): -7.7477 -7.7477 -6.9960 -6.9960 -1.1123 -1.1123 -1.0948 -1.0948 -1.0662 -1.0662 -0.8765 -0.8765 -0.8646 -0.8646 -0.7115 -0.7115 -0.5962 -0.5962 -0.5890 -0.5890 -0.4996 -0.4996 -0.3896 -0.3896 0.3183 0.3183 4.5417 4.5417 4.7691 4.7691 5.1794 5.1794 5.5330 5.5330 5.6357 5.6357 6.8661 6.8661 7.8867 7.8867 11.1656 11.1656 11.2896 11.2896 k = 0.0000 0.0000 0.0377 ( 3123 PWs) bands (ev): -7.7442 -7.7442 -7.0008 -7.0008 -1.1121 -1.1121 -1.0946 -1.0946 -1.0665 -1.0665 -0.8763 -0.8763 -0.8666 -0.8666 -0.7139 -0.7139 -0.5960 -0.5960 -0.5885 -0.5885 -0.5001 -0.5001 -0.4041 -0.4041 0.3527 0.3527 4.5458 4.5458 4.7732 4.7732 5.1350 5.1350 5.4952 5.4952 5.6304 5.6304 6.9377 6.9377 7.8920 7.8920 11.1676 11.1676 11.2934 11.2934 k = 0.0000 0.0000 0.0503 ( 3111 PWs) bands (ev): -7.7393 -7.7393 -7.0074 -7.0074 -1.1118 -1.1118 -1.0942 -1.0942 -1.0669 -1.0669 -0.8761 -0.8761 -0.8693 -0.8693 -0.7174 -0.7174 -0.5957 -0.5957 -0.5878 -0.5878 -0.5007 -0.5007 -0.4217 -0.4217 0.3984 0.3984 4.5514 4.5514 4.7791 4.7791 5.0687 5.0687 5.4573 5.4573 5.6231 5.6231 7.0271 7.0271 7.8993 7.8993 11.1700 11.1700 11.2987 11.2987 k = 0.0000 0.0000 0.0628 ( 3099 PWs) bands (ev): -7.7331 -7.7331 -7.0158 -7.0158 -1.1115 -1.1115 -1.0937 -1.0937 -1.0675 -1.0675 -0.8758 -0.8758 -0.8729 -0.8729 -0.7220 -0.7220 -0.5954 -0.5954 -0.5867 -0.5867 -0.5014 -0.5014 -0.4407 -0.4407 0.4536 0.4536 4.5586 4.5586 4.7865 4.7865 4.9813 4.9813 5.4240 5.4240 5.6137 5.6137 7.1283 7.1283 7.9087 7.9087 11.1722 11.1722 11.3056 11.3056 k = 0.0000 0.0000 0.0754 ( 3099 PWs) bands (ev): -7.7255 -7.7255 -7.0259 -7.0259 -1.1111 -1.1111 -1.0931 -1.0931 -1.0681 -1.0681 -0.8774 -0.8774 -0.8755 -0.8755 -0.7276 -0.7276 -0.5950 -0.5950 -0.5856 -0.5856 -0.5024 -0.5024 -0.4599 -0.4599 0.5169 0.5169 4.5674 4.5674 4.7956 4.7956 4.8768 4.8768 5.3957 5.3957 5.6025 5.6025 7.2365 7.2365 7.9201 7.9201 11.1729 11.1729 11.3142 11.3142 k = 0.0000 0.0000 0.0879 ( 3099 PWs) bands (ev): -7.7165 -7.7165 -7.0377 -7.0377 -1.1106 -1.1106 -1.0924 -1.0924 -1.0689 -1.0689 -0.8828 -0.8828 -0.8750 -0.8750 -0.7342 -0.7342 -0.5946 -0.5946 -0.5843 -0.5843 -0.5036 -0.5036 -0.4781 -0.4781 0.5871 0.5871 4.5778 4.5778 4.7599 4.7599 4.8063 4.8063 5.3708 5.3708 5.5893 5.5893 7.3485 7.3485 7.9334 7.9334 11.1706 11.1706 11.2984 11.2984 k = 0.0000 0.0000 0.1005 ( 3105 PWs) bands (ev): -7.7063 -7.7063 -7.0512 -7.0512 -1.1100 -1.1100 -1.0916 -1.0916 -1.0698 -1.0698 -0.8892 -0.8892 -0.8746 -0.8746 -0.7417 -0.7417 -0.5942 -0.5942 -0.5828 -0.5828 -0.5049 -0.5049 -0.4948 -0.4948 0.6635 0.6635 4.5896 4.5896 4.6342 4.6342 4.8185 4.8185 5.3479 5.3479 5.5743 5.5743 7.4613 7.4613 7.9487 7.9487 11.1636 11.1636 11.2891 11.2891 k = 0.0000 0.0000 0.1131 ( 3105 PWs) bands (ev): -7.6948 -7.6948 -7.0662 -7.0662 -1.1094 -1.1094 -1.0906 -1.0906 -1.0708 -1.0708 -0.8965 -0.8965 -0.8740 -0.8740 -0.7499 -0.7499 -0.5936 -0.5936 -0.5811 -0.5811 -0.5095 -0.5095 -0.5064 -0.5064 0.7454 0.7454 4.5025 4.5025 4.6029 4.6029 4.8322 4.8322 5.3257 5.3257 5.5576 5.5576 7.5730 7.5730 7.9658 7.9658 11.1521 11.1521 11.2879 11.2879 k = 0.0000 0.0000 0.1256 ( 3111 PWs) bands (ev): -7.6820 -7.6820 -7.0826 -7.0826 -1.1087 -1.1087 -1.0895 -1.0895 -1.0719 -1.0719 -0.9047 -0.9047 -0.8733 -0.8733 -0.7585 -0.7585 -0.5931 -0.5931 -0.5793 -0.5793 -0.5222 -0.5222 -0.5080 -0.5080 0.8322 0.8322 4.3667 4.3667 4.6176 4.6176 4.8474 4.8474 5.3035 5.3035 5.5392 5.5392 7.6815 7.6815 7.9846 7.9846 11.1388 11.1388 11.2939 11.2939 k = 0.0000 0.0000 0.1382 ( 3111 PWs) bands (ev): -7.6680 -7.6680 -7.1003 -7.1003 -1.1080 -1.1080 -1.0882 -1.0882 -1.0731 -1.0731 -0.9137 -0.9137 -0.8725 -0.8725 -0.7673 -0.7673 -0.5925 -0.5925 -0.5773 -0.5773 -0.5329 -0.5329 -0.5098 -0.5098 0.9235 0.9235 4.2281 4.2281 4.6337 4.6337 4.8640 4.8640 5.2810 5.2810 5.5193 5.5193 7.7854 7.7854 8.0051 8.0051 11.1272 11.1272 11.3052 11.3052 k = 0.0000 0.0000 0.1508 ( 3105 PWs) bands (ev): -7.6529 -7.6529 -7.1193 -7.1193 -1.1071 -1.1071 -1.0865 -1.0865 -1.0743 -1.0743 -0.9235 -0.9235 -0.8715 -0.8715 -0.7760 -0.7760 -0.5918 -0.5918 -0.5751 -0.5751 -0.5418 -0.5418 -0.5117 -0.5117 1.0190 1.0190 4.0877 4.0877 4.6511 4.6511 4.8820 4.8820 5.2579 5.2579 5.4980 5.4980 7.8829 7.8829 8.0272 8.0272 11.1205 11.1205 11.3206 11.3206 k = 0.0000 0.0000 0.1633 ( 3105 PWs) bands (ev): -7.6366 -7.6366 -7.1393 -7.1393 -1.1062 -1.1062 -1.0847 -1.0847 -1.0757 -1.0757 -0.9339 -0.9339 -0.8704 -0.8704 -0.7843 -0.7843 -0.5911 -0.5911 -0.5729 -0.5729 -0.5492 -0.5492 -0.5137 -0.5137 1.1184 1.1184 3.9461 3.9461 4.6698 4.6698 4.9012 4.9012 5.2341 5.2341 5.4755 5.4755 7.9729 7.9729 8.0506 8.0506 11.1210 11.1210 11.3392 11.3392 k = 0.0000 0.0000 0.1759 ( 3117 PWs) bands (ev): -7.6193 -7.6193 -7.1604 -7.1604 -1.1053 -1.1053 -1.0827 -1.0827 -1.0771 -1.0771 -0.9447 -0.9447 -0.8692 -0.8692 -0.7923 -0.7923 -0.5904 -0.5904 -0.5706 -0.5706 -0.5553 -0.5553 -0.5159 -0.5159 1.2215 1.2215 3.8039 3.8039 4.6897 4.6897 4.9217 4.9217 5.2095 5.2095 5.4517 5.4517 8.0541 8.0541 8.0753 8.0753 11.1307 11.1307 11.3605 11.3605 k = 0.0000 0.0000 0.1885 ( 3117 PWs) bands (ev): -7.6009 -7.6009 -7.1824 -7.1824 -1.1042 -1.1042 -1.0803 -1.0803 -1.0785 -1.0785 -0.9557 -0.9557 -0.8677 -0.8677 -0.7997 -0.7997 -0.5897 -0.5897 -0.5681 -0.5681 -0.5602 -0.5602 -0.5182 -0.5182 1.3281 1.3281 3.6616 3.6616 4.7107 4.7107 4.9434 4.9434 5.1843 5.1843 5.4269 5.4269 8.1009 8.1009 8.1254 8.1254 11.1512 11.1512 11.3843 11.3843 k = 0.0000 0.0000 0.2010 ( 3111 PWs) bands (ev): -7.5816 -7.5816 -7.2051 -7.2051 -1.1031 -1.1031 -1.0800 -1.0800 -1.0776 -1.0776 -0.9667 -0.9667 -0.8661 -0.8661 -0.8065 -0.8065 -0.5889 -0.5889 -0.5654 -0.5654 -0.5644 -0.5644 -0.5206 -0.5206 1.4380 1.4380 3.5194 3.5194 4.7328 4.7328 4.9662 4.9662 5.1584 5.1584 5.4011 5.4011 8.1273 8.1273 8.1862 8.1862 11.1834 11.1834 11.4104 11.4104 k = 0.0000 0.0000 0.2136 ( 3117 PWs) bands (ev): -7.5613 -7.5613 -7.2285 -7.2285 -1.1020 -1.1020 -1.0815 -1.0815 -1.0746 -1.0746 -0.9776 -0.9776 -0.8644 -0.8644 -0.8129 -0.8129 -0.5881 -0.5881 -0.5678 -0.5678 -0.5627 -0.5627 -0.5231 -0.5231 1.5510 1.5510 3.3777 3.3777 4.7559 4.7559 4.9900 4.9900 5.1319 5.1319 5.3746 5.3746 8.1541 8.1541 8.2360 8.2360 11.2282 11.2282 11.4386 11.4386 k = 0.0000 0.0000 0.2262 ( 3104 PWs) bands (ev): -7.5402 -7.5402 -7.2524 -7.2524 -1.1007 -1.1007 -1.0830 -1.0830 -1.0711 -1.0711 -0.9880 -0.9880 -0.8624 -0.8624 -0.8187 -0.8187 -0.5872 -0.5872 -0.5706 -0.5706 -0.5599 -0.5599 -0.5257 -0.5257 1.6670 1.6670 3.2368 3.2368 4.7799 4.7799 5.0147 5.0147 5.1049 5.1049 5.3474 5.3474 8.1811 8.1811 8.2750 8.2750 11.2857 11.2857 11.4690 11.4690 k = 0.0000 0.0000 0.2387 ( 3110 PWs) bands (ev): -7.5184 -7.5184 -7.2767 -7.2767 -1.0995 -1.0995 -1.0846 -1.0846 -1.0673 -1.0673 -0.9981 -0.9981 -0.8602 -0.8602 -0.8242 -0.8242 -0.5863 -0.5863 -0.5730 -0.5730 -0.5572 -0.5572 -0.5283 -0.5283 1.7858 1.7858 3.0967 3.0967 4.8048 4.8048 5.0403 5.0403 5.0775 5.0775 5.3196 5.3196 8.2077 8.2077 8.3033 8.3033 11.3557 11.3557 11.5016 11.5016 k = 0.0000 0.0000 0.2513 ( 3122 PWs) bands (ev): -7.4959 -7.4959 -7.3013 -7.3013 -1.0982 -1.0982 -1.0862 -1.0862 -1.0629 -1.0629 -1.0077 -1.0077 -0.8578 -0.8578 -0.8292 -0.8292 -0.5854 -0.5854 -0.5751 -0.5751 -0.5543 -0.5543 -0.5311 -0.5311 1.9073 1.9073 2.9578 2.9578 4.8304 4.8304 5.0498 5.0498 5.0666 5.0666 5.2915 5.2915 8.2336 8.2336 8.3217 8.3217 11.4373 11.4373 11.5363 11.5363 k = 0.0000 0.0000 0.2638 ( 3134 PWs) bands (ev): -7.4727 -7.4727 -7.3261 -7.3261 -1.0968 -1.0968 -1.0878 -1.0878 -1.0581 -1.0581 -1.0168 -1.0168 -0.8552 -0.8552 -0.8339 -0.8339 -0.5845 -0.5845 -0.5769 -0.5769 -0.5515 -0.5515 -0.5340 -0.5340 2.0313 2.0313 2.8202 2.8202 4.8566 4.8566 5.0219 5.0219 5.0936 5.0936 5.2630 5.2630 8.2580 8.2580 8.3311 8.3311 11.5285 11.5285 11.5745 11.5745 k = 0.0000 0.0000 0.2764 ( 3110 PWs) bands (ev): -7.4491 -7.4491 -7.3510 -7.3510 -1.0954 -1.0954 -1.0893 -1.0893 -1.0526 -1.0526 -1.0251 -1.0251 -0.8523 -0.8523 -0.8382 -0.8382 -0.5834 -0.5834 -0.5785 -0.5785 -0.5484 -0.5484 -0.5367 -0.5367 2.1577 2.1577 2.6841 2.6841 4.8834 4.8834 4.9939 4.9939 5.1211 5.1211 5.2345 5.2345 8.2804 8.2804 8.3325 8.3325 11.6037 11.6037 11.6406 11.6406 k = 0.0000 0.0000 0.2890 ( 3110 PWs) bands (ev): -7.4250 -7.4250 -7.3758 -7.3758 -1.0939 -1.0939 -1.0909 -1.0909 -1.0466 -1.0466 -1.0329 -1.0329 -0.8492 -0.8492 -0.8421 -0.8421 -0.5823 -0.5823 -0.5799 -0.5799 -0.5455 -0.5455 -0.5396 -0.5396 2.2863 2.2863 2.5497 2.5497 4.9106 4.9106 4.9660 4.9660 5.1491 5.1491 5.2059 5.2059 8.3000 8.3000 8.3270 8.3270 11.6466 11.6466 11.7312 11.7312 k = 0.0000 0.0000 0.3015 ( 3110 PWs) bands (ev): -7.4005 -7.4005 -7.4005 -7.4005 -1.0924 -1.0924 -1.0924 -1.0924 -1.0401 -1.0401 -1.0401 -1.0401 -0.8458 -0.8458 -0.8458 -0.8458 -0.5811 -0.5811 -0.5811 -0.5811 -0.5426 -0.5426 -0.5426 -0.5426 2.4170 2.4170 2.4170 2.4170 4.9382 4.9382 4.9382 4.9382 5.1774 5.1774 5.1774 5.1774 8.3158 8.3158 8.3158 8.3158 11.6884 11.6884 11.6884 11.6884 k = 0.0000 0.0000 0.3015 ( 3110 PWs) bands (ev): -7.4005 -7.4005 -7.4005 -7.4005 -1.0924 -1.0924 -1.0924 -1.0924 -1.0401 -1.0401 -1.0401 -1.0401 -0.8458 -0.8458 -0.8458 -0.8458 -0.5811 -0.5811 -0.5811 -0.5811 -0.5426 -0.5426 -0.5426 -0.5426 2.4170 2.4170 2.4170 2.4170 4.9382 4.9382 4.9382 4.9382 5.1774 5.1774 5.1774 5.1774 8.3158 8.3158 8.3158 8.3158 11.6884 11.6884 11.6884 11.6884 k = 0.0109 0.0063 0.3015 ( 3110 PWs) bands (ev): -7.4000 -7.4000 -7.3999 -7.3999 -1.0923 -1.0923 -1.0923 -1.0923 -1.0413 -1.0413 -1.0388 -1.0388 -0.8459 -0.8459 -0.8455 -0.8455 -0.5826 -0.5826 -0.5797 -0.5797 -0.5425 -0.5425 -0.5425 -0.5425 2.4156 2.4156 2.4180 2.4180 4.9311 4.9311 4.9371 4.9371 5.1729 5.1729 5.1729 5.1729 8.3206 8.3206 8.3264 8.3264 11.6712 11.6712 11.6727 11.6727 k = 0.0217 0.0126 0.3015 ( 3098 PWs) bands (ev): -7.3982 -7.3982 -7.3981 -7.3981 -1.0921 -1.0921 -1.0920 -1.0920 -1.0422 -1.0422 -1.0373 -1.0373 -0.8457 -0.8457 -0.8451 -0.8451 -0.5841 -0.5841 -0.5782 -0.5782 -0.5424 -0.5424 -0.5424 -0.5424 2.4136 2.4136 2.4185 2.4185 4.9155 4.9155 4.9278 4.9278 5.1598 5.1598 5.1603 5.1603 8.3404 8.3404 8.3518 8.3518 11.6183 11.6183 11.6210 11.6210 k = 0.0326 0.0188 0.3015 ( 3100 PWs) bands (ev): -7.3953 -7.3953 -7.3952 -7.3952 -1.0917 -1.0917 -1.0917 -1.0917 -1.0431 -1.0431 -1.0357 -1.0357 -0.8453 -0.8453 -0.8444 -0.8444 -0.5856 -0.5856 -0.5769 -0.5769 -0.5423 -0.5423 -0.5422 -0.5422 2.4112 2.4112 2.4186 2.4186 4.8909 4.8909 4.9098 4.9098 5.1394 5.1394 5.1408 5.1408 8.3745 8.3745 8.3914 8.3914 11.5463 11.5463 11.5498 11.5498 k = 0.0435 0.0251 0.3015 ( 3104 PWs) bands (ev): -7.3913 -7.3913 -7.3911 -7.3911 -1.0912 -1.0912 -1.0911 -1.0911 -1.0438 -1.0438 -1.0339 -1.0339 -0.8448 -0.8448 -0.8435 -0.8435 -0.5871 -0.5871 -0.5756 -0.5756 -0.5421 -0.5421 -0.5419 -0.5419 2.4081 2.4081 2.4180 2.4180 4.8565 4.8565 4.8822 4.8822 5.1135 5.1135 5.1164 5.1164 8.4216 8.4216 8.4437 8.4437 11.4676 11.4676 11.4720 11.4720 k = 0.0543 0.0314 0.3015 ( 3112 PWs) bands (ev): -7.3860 -7.3860 -7.3858 -7.3858 -1.0906 -1.0906 -1.0904 -1.0904 -1.0444 -1.0444 -1.0320 -1.0320 -0.8441 -0.8441 -0.8424 -0.8424 -0.5885 -0.5885 -0.5744 -0.5744 -0.5419 -0.5419 -0.5415 -0.5415 2.4042 2.4042 2.4167 2.4167 4.8121 4.8121 4.8445 4.8445 5.0844 5.0844 5.0889 5.0889 8.4800 8.4800 8.5070 8.5070 11.3864 11.3864 11.3917 11.3917 k = 0.0652 0.0377 0.3015 ( 3110 PWs) bands (ev): -7.3797 -7.3797 -7.3794 -7.3794 -1.0899 -1.0899 -1.0895 -1.0895 -1.0448 -1.0448 -1.0299 -1.0299 -0.8432 -0.8432 -0.8411 -0.8411 -0.5900 -0.5900 -0.5734 -0.5734 -0.5417 -0.5417 -0.5409 -0.5409 2.3995 2.3995 2.4145 2.4145 4.7581 4.7581 4.7965 4.7965 5.0539 5.0539 5.0597 5.0597 8.5478 8.5478 8.5795 8.5795 11.3047 11.3047 11.3109 11.3109 k = 0.0761 0.0439 0.3015 ( 3118 PWs) bands (ev): -7.3722 -7.3722 -7.3719 -7.3719 -1.0891 -1.0891 -1.0885 -1.0885 -1.0450 -1.0450 -1.0277 -1.0277 -0.8421 -0.8421 -0.8396 -0.8396 -0.5913 -0.5913 -0.5724 -0.5724 -0.5414 -0.5414 -0.5402 -0.5402 2.3935 2.3935 2.4113 2.4113 4.6954 4.6954 4.7392 4.7392 5.0229 5.0229 5.0295 5.0295 8.6229 8.6229 8.6592 8.6592 11.2238 11.2238 11.2311 11.2311 k = 0.0870 0.0502 0.3015 ( 3126 PWs) bands (ev): -7.3637 -7.3637 -7.3633 -7.3633 -1.0882 -1.0882 -1.0874 -1.0874 -1.0449 -1.0449 -1.0253 -1.0253 -0.8408 -0.8408 -0.8379 -0.8379 -0.5927 -0.5927 -0.5716 -0.5716 -0.5410 -0.5410 -0.5393 -0.5393 2.3862 2.3862 2.4067 2.4067 4.6258 4.6258 4.6740 4.6740 4.9916 4.9916 4.9986 4.9986 8.7032 8.7032 8.7437 8.7437 11.1451 11.1451 11.1536 11.1536 k = 0.0978 0.0565 0.3015 ( 3128 PWs) bands (ev): -7.3541 -7.3541 -7.3537 -7.3537 -1.0872 -1.0872 -1.0861 -1.0861 -1.0447 -1.0447 -1.0227 -1.0227 -0.8394 -0.8394 -0.8359 -0.8359 -0.5940 -0.5940 -0.5709 -0.5709 -0.5407 -0.5407 -0.5382 -0.5382 2.3772 2.3772 2.4004 2.4004 4.5509 4.5509 4.6030 4.6030 4.9599 4.9599 4.9668 4.9668 8.7863 8.7863 8.8308 8.8308 11.0698 11.0698 11.0794 11.0794 k = 0.1087 0.0628 0.3015 ( 3122 PWs) bands (ev): -7.3435 -7.3435 -7.3430 -7.3430 -1.0861 -1.0861 -1.0847 -1.0847 -1.0442 -1.0442 -1.0199 -1.0199 -0.8377 -0.8377 -0.8337 -0.8337 -0.5951 -0.5951 -0.5702 -0.5702 -0.5402 -0.5402 -0.5370 -0.5370 2.3662 2.3662 2.3922 2.3922 4.4726 4.4726 4.5280 4.5280 4.9276 4.9276 4.9342 4.9342 8.8697 8.8697 8.9180 8.9180 10.9993 10.9993 11.0100 11.0100 k = 0.1196 0.0690 0.3015 ( 3118 PWs) bands (ev): -7.3319 -7.3319 -7.3314 -7.3314 -1.0849 -1.0849 -1.0832 -1.0832 -1.0434 -1.0434 -1.0169 -1.0169 -0.8359 -0.8359 -0.8313 -0.8313 -0.5962 -0.5962 -0.5697 -0.5697 -0.5397 -0.5397 -0.5355 -0.5355 2.3527 2.3527 2.3815 2.3815 4.3925 4.3925 4.4509 4.4509 4.8944 4.8944 4.9005 4.9005 8.9509 8.9509 9.0027 9.0027 10.9350 10.9350 10.9467 10.9467 k = 0.1304 0.0753 0.3015 ( 3114 PWs) bands (ev): -7.3193 -7.3193 -7.3188 -7.3188 -1.0837 -1.0837 -1.0816 -1.0816 -1.0423 -1.0423 -1.0137 -1.0137 -0.8340 -0.8340 -0.8287 -0.8287 -0.5972 -0.5972 -0.5693 -0.5693 -0.5392 -0.5392 -0.5339 -0.5339 2.3364 2.3364 2.3680 2.3680 4.3122 4.3122 4.3733 4.3733 4.8602 4.8602 4.8658 4.8658 9.0271 9.0271 9.0821 9.0821 10.8784 10.8784 10.8908 10.8908 k = 0.1413 0.0816 0.3015 ( 3116 PWs) bands (ev): -7.3058 -7.3058 -7.3053 -7.3053 -1.0825 -1.0825 -1.0800 -1.0800 -1.0409 -1.0409 -1.0104 -1.0104 -0.8319 -0.8319 -0.8259 -0.8259 -0.5982 -0.5982 -0.5690 -0.5690 -0.5385 -0.5385 -0.5322 -0.5322 2.3168 2.3168 2.3511 2.3511 4.2331 4.2331 4.2966 4.2966 4.8251 4.8251 4.8302 4.8302 9.0958 9.0958 9.1534 9.1534 10.8310 10.8310 10.8437 10.8437 k = 0.1522 0.0879 0.3015 ( 3120 PWs) bands (ev): -7.2915 -7.2915 -7.2909 -7.2909 -1.0812 -1.0812 -1.0784 -1.0784 -1.0391 -1.0391 -1.0068 -1.0068 -0.8297 -0.8297 -0.8228 -0.8228 -0.5990 -0.5990 -0.5688 -0.5688 -0.5378 -0.5378 -0.5303 -0.5303 2.2935 2.2935 2.3303 2.3303 4.1565 4.1565 4.2222 4.2222 4.7891 4.7891 4.7936 4.7936 9.1543 9.1543 9.2138 9.2138 10.7943 10.7943 10.8065 10.8065 k = 0.1630 0.0941 0.3015 ( 3124 PWs) bands (ev): -7.2764 -7.2764 -7.2758 -7.2758 -1.0799 -1.0799 -1.0768 -1.0768 -1.0369 -1.0369 -1.0030 -1.0030 -0.8274 -0.8274 -0.8196 -0.8196 -0.5998 -0.5998 -0.5686 -0.5686 -0.5370 -0.5370 -0.5283 -0.5283 2.2659 2.2659 2.3050 2.3050 4.0837 4.0837 4.1512 4.1512 4.7522 4.7522 4.7562 4.7562 9.2003 9.2003 9.2607 9.2607 10.7690 10.7690 10.7799 10.7799 k = 0.1739 0.1004 0.3015 ( 3120 PWs) bands (ev): -7.2605 -7.2605 -7.2599 -7.2599 -1.0785 -1.0785 -1.0752 -1.0752 -1.0343 -1.0343 -0.9990 -0.9990 -0.8249 -0.8249 -0.8161 -0.8161 -0.6003 -0.6003 -0.5683 -0.5683 -0.5361 -0.5361 -0.5261 -0.5261 2.2337 2.2337 2.2749 2.2749 4.0155 4.0155 4.0845 4.0845 4.7146 4.7146 4.7182 4.7182 9.2323 9.2323 9.2926 9.2926 10.7549 10.7549 10.7636 10.7636 k = 0.1848 0.1067 0.3015 ( 3140 PWs) bands (ev): -7.2439 -7.2439 -7.2433 -7.2433 -1.0772 -1.0772 -1.0738 -1.0738 -1.0312 -1.0312 -0.9948 -0.9948 -0.8224 -0.8224 -0.8126 -0.8126 -0.6008 -0.6008 -0.5682 -0.5682 -0.5352 -0.5352 -0.5238 -0.5238 2.1967 2.1967 2.2395 2.2395 3.9530 3.9530 4.0230 4.0230 4.6765 4.6765 4.6797 4.6797 9.2498 9.2498 9.3089 9.3089 10.7509 10.7509 10.7565 10.7565 k = 0.1957 0.1130 0.3015 ( 3140 PWs) bands (ev): -7.2267 -7.2267 -7.2260 -7.2260 -1.0759 -1.0759 -1.0724 -1.0724 -1.0276 -1.0276 -0.9903 -0.9903 -0.8197 -0.8197 -0.8088 -0.8088 -0.6012 -0.6012 -0.5679 -0.5679 -0.5340 -0.5340 -0.5214 -0.5214 2.1544 2.1544 2.1985 2.1985 3.8967 3.8967 3.9672 3.9672 4.6380 4.6380 4.6408 4.6408 9.2531 9.2531 9.3102 9.3102 10.7543 10.7543 10.7562 10.7562 k = 0.2065 0.1192 0.3015 ( 3140 PWs) bands (ev): -7.2090 -7.2090 -7.2083 -7.2083 -1.0745 -1.0745 -1.0711 -1.0711 -1.0234 -1.0234 -0.9856 -0.9856 -0.8170 -0.8170 -0.8049 -0.8049 -0.6013 -0.6013 -0.5677 -0.5677 -0.5327 -0.5327 -0.5188 -0.5188 2.1070 2.1070 2.1518 2.1518 3.8471 3.8471 3.9176 3.9176 4.5992 4.5992 4.6018 4.6018 9.2437 9.2437 9.2980 9.2980 10.7598 10.7598 10.7618 10.7618 k = 0.2174 0.1255 0.3015 ( 3136 PWs) bands (ev): -7.1907 -7.1907 -7.1900 -7.1900 -1.0731 -1.0731 -1.0699 -1.0699 -1.0187 -1.0187 -0.9806 -0.9806 -0.8142 -0.8142 -0.8008 -0.8008 -0.6013 -0.6013 -0.5673 -0.5673 -0.5312 -0.5312 -0.5161 -0.5161 2.0544 2.0544 2.0995 2.0995 3.8044 3.8044 3.8745 3.8745 4.5604 4.5604 4.5627 4.5627 9.2234 9.2234 9.2747 9.2747 10.7641 10.7641 10.7699 10.7699 k = 0.2283 0.1318 0.3015 ( 3138 PWs) bands (ev): -7.1720 -7.1720 -7.1713 -7.1713 -1.0718 -1.0718 -1.0687 -1.0687 -1.0136 -1.0136 -0.9754 -0.9754 -0.8113 -0.8113 -0.7967 -0.7967 -0.6011 -0.6011 -0.5668 -0.5668 -0.5295 -0.5295 -0.5132 -0.5132 1.9970 1.9970 2.0418 2.0418 3.7686 3.7686 3.8377 3.8377 4.5217 4.5217 4.5238 4.5238 9.1944 9.1944 9.2425 9.2425 10.7662 10.7662 10.7752 10.7752 k = 0.2391 0.1381 0.3015 ( 3142 PWs) bands (ev): -7.1530 -7.1530 -7.1523 -7.1523 -1.0704 -1.0704 -1.0676 -1.0676 -1.0079 -1.0079 -0.9700 -0.9700 -0.8085 -0.8085 -0.7924 -0.7924 -0.6007 -0.6007 -0.5663 -0.5663 -0.5276 -0.5276 -0.5102 -0.5102 1.9350 1.9350 1.9792 1.9792 3.7395 3.7395 3.8071 3.8071 4.4833 4.4833 4.4852 4.4852 9.1586 9.1586 9.2036 9.2036 10.7640 10.7640 10.7755 10.7755 k = 0.2500 0.1443 0.3015 ( 3146 PWs) bands (ev): -7.1338 -7.1338 -7.1330 -7.1330 -1.0691 -1.0691 -1.0666 -1.0666 -1.0017 -1.0017 -0.9643 -0.9643 -0.8056 -0.8056 -0.7881 -0.7881 -0.6002 -0.6002 -0.5657 -0.5657 -0.5255 -0.5255 -0.5071 -0.5071 1.8690 1.8690 1.9122 1.9122 3.7166 3.7166 3.7825 3.7825 4.4453 4.4453 4.4471 4.4471 9.1178 9.1178 9.1599 9.1599 10.7562 10.7562 10.7695 10.7695 k = 0.2609 0.1506 0.3015 ( 3146 PWs) bands (ev): -7.1143 -7.1143 -7.1136 -7.1136 -1.0678 -1.0678 -1.0656 -1.0656 -0.9950 -0.9950 -0.9583 -0.9583 -0.8028 -0.8028 -0.7838 -0.7838 -0.5993 -0.5993 -0.5649 -0.5649 -0.5231 -0.5231 -0.5038 -0.5038 1.7996 1.7996 1.8415 1.8415 3.6995 3.6995 3.7633 3.7633 4.4079 4.4079 4.4097 4.4097 9.0735 9.0735 9.1130 9.1130 10.7423 10.7423 10.7567 10.7567 k = 0.2717 0.1569 0.3015 ( 3152 PWs) bands (ev): -7.0948 -7.0948 -7.0941 -7.0941 -1.0666 -1.0666 -1.0647 -1.0647 -0.9879 -0.9879 -0.9521 -0.9521 -0.7999 -0.7999 -0.7795 -0.7795 -0.5983 -0.5983 -0.5640 -0.5640 -0.5204 -0.5204 -0.5003 -0.5003 1.7274 1.7274 1.7678 1.7678 3.6876 3.6876 3.7490 3.7490 4.3712 4.3712 4.3730 4.3730 9.0271 9.0271 9.0640 9.0640 10.7225 10.7225 10.7374 10.7374 k = 0.2826 0.1632 0.3015 ( 3160 PWs) bands (ev): -7.0753 -7.0753 -7.0746 -7.0746 -1.0654 -1.0654 -1.0638 -1.0638 -0.9803 -0.9803 -0.9457 -0.9457 -0.7972 -0.7972 -0.7752 -0.7752 -0.5970 -0.5970 -0.5630 -0.5630 -0.5174 -0.5174 -0.4966 -0.4966 1.6531 1.6531 1.6917 1.6917 3.6802 3.6802 3.7391 3.7391 4.3354 4.3354 4.3372 4.3372 8.9794 8.9794 9.0139 9.0139 10.6973 10.6973 10.7122 10.7122 k = 0.2935 0.1694 0.3015 ( 3164 PWs) bands (ev): -7.0559 -7.0559 -7.0552 -7.0552 -1.0642 -1.0642 -1.0630 -1.0630 -0.9723 -0.9723 -0.9391 -0.9391 -0.7945 -0.7945 -0.7710 -0.7710 -0.5954 -0.5954 -0.5618 -0.5618 -0.5139 -0.5139 -0.4926 -0.4926 1.5773 1.5773 1.6142 1.6142 3.6767 3.6767 3.7330 3.7330 4.3007 4.3007 4.3025 4.3025 8.9312 8.9312 8.9636 8.9636 10.6676 10.6676 10.6822 10.6822 k = 0.3043 0.1757 0.3015 ( 3160 PWs) bands (ev): -7.0367 -7.0367 -7.0360 -7.0360 -1.0630 -1.0630 -1.0622 -1.0622 -0.9638 -0.9638 -0.9323 -0.9323 -0.7918 -0.7918 -0.7670 -0.7670 -0.5936 -0.5936 -0.5605 -0.5605 -0.5101 -0.5101 -0.4883 -0.4883 1.5006 1.5006 1.5357 1.5357 3.6766 3.6766 3.7302 3.7302 4.2672 4.2672 4.2691 4.2691 8.8833 8.8833 8.9137 8.9137 10.6342 10.6342 10.6483 10.6483 k = 0.3152 0.1820 0.3015 ( 3156 PWs) bands (ev): -7.0178 -7.0178 -7.0171 -7.0171 -1.0619 -1.0619 -1.0614 -1.0614 -0.9551 -0.9551 -0.9253 -0.9253 -0.7892 -0.7892 -0.7631 -0.7631 -0.5914 -0.5914 -0.5591 -0.5591 -0.5057 -0.5057 -0.4837 -0.4837 1.4237 1.4237 1.4569 1.4569 3.6792 3.6792 3.7301 3.7301 4.2350 4.2350 4.2370 4.2370 8.8362 8.8362 8.8646 8.8646 10.5981 10.5981 10.6114 10.6114 k = 0.3261 0.1883 0.3015 ( 3154 PWs) bands (ev): -6.9993 -6.9993 -6.9986 -6.9986 -1.0608 -1.0608 -1.0606 -1.0606 -0.9460 -0.9460 -0.9182 -0.9182 -0.7868 -0.7868 -0.7594 -0.7594 -0.5890 -0.5890 -0.5576 -0.5576 -0.5008 -0.5008 -0.4787 -0.4787 1.3471 1.3471 1.3785 1.3785 3.6841 3.6841 3.7323 3.7323 4.2042 4.2042 4.2063 4.2063 8.7902 8.7902 8.8168 8.8168 10.5601 10.5601 10.5727 10.5727 k = 0.3370 0.1945 0.3015 ( 3158 PWs) bands (ev): -6.9813 -6.9813 -6.9806 -6.9806 -1.0599 -1.0599 -1.0598 -1.0598 -0.9367 -0.9367 -0.9111 -0.9111 -0.7844 -0.7844 -0.7560 -0.7560 -0.5864 -0.5864 -0.5560 -0.5560 -0.4954 -0.4954 -0.4733 -0.4733 1.2713 1.2713 1.3009 1.3009 3.6907 3.6907 3.7361 3.7361 4.1751 4.1751 4.1773 4.1773 8.7457 8.7457 8.7706 8.7706 10.5211 10.5211 10.5328 10.5328 k = 0.3478 0.2008 0.3015 ( 3158 PWs) bands (ev): -6.9639 -6.9639 -6.9632 -6.9632 -1.0591 -1.0591 -1.0589 -1.0589 -0.9272 -0.9272 -0.9040 -0.9040 -0.7822 -0.7822 -0.7530 -0.7530 -0.5835 -0.5835 -0.5544 -0.5544 -0.4892 -0.4892 -0.4674 -0.4674 1.1969 1.1969 1.2247 1.2247 3.6985 3.6985 3.7413 3.7413 4.1477 4.1477 4.1500 4.1500 8.7031 8.7031 8.7263 8.7263 10.4818 10.4818 10.4926 10.4926 k = 0.3587 0.2071 0.3015 ( 3158 PWs) bands (ev): -6.9471 -6.9471 -6.9465 -6.9465 -1.0585 -1.0585 -1.0581 -1.0581 -0.9176 -0.9176 -0.8969 -0.8969 -0.7800 -0.7800 -0.7502 -0.7502 -0.5804 -0.5804 -0.5528 -0.5528 -0.4823 -0.4823 -0.4611 -0.4611 1.1243 1.1243 1.1503 1.1503 3.7072 3.7072 3.7472 3.7472 4.1221 4.1221 4.1246 4.1246 8.6625 8.6625 8.6840 8.6840 10.4428 10.4428 10.4527 10.4527 k = 0.3696 0.2134 0.3015 ( 3156 PWs) bands (ev): -6.9312 -6.9312 -6.9305 -6.9305 -1.0578 -1.0578 -1.0573 -1.0573 -0.9081 -0.9081 -0.8899 -0.8899 -0.7780 -0.7780 -0.7479 -0.7479 -0.5772 -0.5772 -0.5512 -0.5512 -0.4747 -0.4747 -0.4542 -0.4542 1.0541 1.0541 1.0783 1.0783 3.7164 3.7164 3.7536 3.7536 4.0985 4.0986 4.1012 4.1012 8.6242 8.6242 8.6441 8.6441 10.4048 10.4048 10.4138 10.4138 k = 0.3804 0.2196 0.3015 ( 3160 PWs) bands (ev): -6.9161 -6.9161 -6.9155 -6.9155 -1.0572 -1.0572 -1.0565 -1.0565 -0.8987 -0.8987 -0.8831 -0.8831 -0.7761 -0.7761 -0.7460 -0.7460 -0.5739 -0.5739 -0.5497 -0.5497 -0.4664 -0.4664 -0.4468 -0.4468 0.9866 0.9866 1.0091 1.0091 3.7257 3.7257 3.7601 3.7601 4.0771 4.0771 4.0798 4.0798 8.5884 8.5884 8.6067 8.6067 10.3681 10.3681 10.3763 10.3763 k = 0.3913 0.2259 0.3015 ( 3154 PWs) bands (ev): -6.9020 -6.9019 -6.9014 -6.9014 -1.0566 -1.0566 -1.0559 -1.0559 -0.8895 -0.8895 -0.8765 -0.8765 -0.7742 -0.7742 -0.7445 -0.7445 -0.5706 -0.5706 -0.5483 -0.5483 -0.4573 -0.4573 -0.4389 -0.4389 0.9224 0.9224 0.9431 0.9431 3.7347 3.7347 3.7663 3.7663 4.0579 4.0579 4.0606 4.0606 8.5552 8.5552 8.5719 8.5719 10.3334 10.3334 10.3406 10.3406 k = 0.4022 0.2322 0.3015 ( 3154 PWs) bands (ev): -6.8889 -6.8889 -6.8884 -6.8884 -1.0561 -1.0561 -1.0553 -1.0553 -0.8807 -0.8807 -0.8703 -0.8703 -0.7723 -0.7723 -0.7435 -0.7435 -0.5673 -0.5673 -0.5470 -0.5470 -0.4476 -0.4476 -0.4306 -0.4306 0.8619 0.8619 0.8808 0.8808 3.7433 3.7433 3.7719 3.7719 4.0410 4.0410 4.0436 4.0436 8.5249 8.5249 8.5399 8.5399 10.3009 10.3009 10.3073 10.3073 k = 0.4130 0.2385 0.3015 ( 3166 PWs) bands (ev): -6.8769 -6.8769 -6.8765 -6.8765 -1.0556 -1.0556 -1.0548 -1.0548 -0.8725 -0.8725 -0.8645 -0.8645 -0.7705 -0.7705 -0.7429 -0.7429 -0.5642 -0.5642 -0.5460 -0.5460 -0.4374 -0.4374 -0.4220 -0.4220 0.8056 0.8056 0.8227 0.8227 3.7511 3.7511 3.7768 3.7768 4.0265 4.0265 4.0289 4.0289 8.4974 8.4974 8.5109 8.5109 10.2710 10.2710 10.2766 10.2766 k = 0.4239 0.2447 0.3015 ( 3166 PWs) bands (ev): -6.8662 -6.8662 -6.8658 -6.8658 -1.0551 -1.0551 -1.0544 -1.0544 -0.8650 -0.8650 -0.8591 -0.8591 -0.7687 -0.7687 -0.7428 -0.7428 -0.5612 -0.5612 -0.5451 -0.5451 -0.4269 -0.4269 -0.4132 -0.4132 0.7541 0.7541 0.7693 0.7693 3.7581 3.7581 3.7806 3.7806 4.0143 4.0143 4.0165 4.0165 8.4730 8.4730 8.4848 8.4848 10.2440 10.2440 10.2488 10.2488 k = 0.4348 0.2510 0.3015 ( 3164 PWs) bands (ev): -6.8568 -6.8568 -6.8564 -6.8564 -1.0547 -1.0547 -1.0540 -1.0540 -0.8582 -0.8582 -0.8542 -0.8542 -0.7667 -0.7667 -0.7432 -0.7432 -0.5583 -0.5583 -0.5444 -0.5444 -0.4164 -0.4164 -0.4046 -0.4046 0.7079 0.7079 0.7211 0.7211 3.7641 3.7641 3.7834 3.7834 4.0044 4.0044 4.0063 4.0063 8.4518 8.4518 8.4619 8.4619 10.2201 10.2201 10.2243 10.2243 k = 0.4457 0.2573 0.3015 ( 3158 PWs) bands (ev): -6.8487 -6.8487 -6.8484 -6.8484 -1.0543 -1.0543 -1.0537 -1.0537 -0.8524 -0.8524 -0.8499 -0.8499 -0.7646 -0.7646 -0.7439 -0.7439 -0.5557 -0.5557 -0.5441 -0.5441 -0.4063 -0.4063 -0.3965 -0.3965 0.6675 0.6675 0.6787 0.6787 3.7692 3.7692 3.7852 3.7852 3.9966 3.9966 3.9981 3.9981 8.4338 8.4338 8.4423 8.4423 10.1996 10.1996 10.2031 10.2031 k = 0.4565 0.2636 0.3015 ( 3154 PWs) bands (ev): -6.8420 -6.8420 -6.8417 -6.8417 -1.0540 -1.0540 -1.0535 -1.0535 -0.8475 -0.8475 -0.8462 -0.8462 -0.7625 -0.7625 -0.7451 -0.7451 -0.5533 -0.5533 -0.5439 -0.5439 -0.3970 -0.3970 -0.3892 -0.3892 0.6337 0.6337 0.6428 0.6428 3.7733 3.7733 3.7861 3.7861 3.9907 3.9907 3.9919 3.9919 8.4191 8.4191 8.4259 8.4259 10.1827 10.1827 10.1854 10.1854 k = 0.4674 0.2698 0.3015 ( 3162 PWs) bands (ev): -6.8367 -6.8367 -6.8365 -6.8365 -1.0537 -1.0537 -1.0533 -1.0533 -0.8438 -0.8438 -0.8432 -0.8432 -0.7602 -0.7602 -0.7467 -0.7467 -0.5511 -0.5511 -0.5441 -0.5441 -0.3890 -0.3890 -0.3832 -0.3832 0.6068 0.6068 0.6137 0.6137 3.7766 3.7766 3.7862 3.7862 3.9865 3.9865 3.9873 3.9873 8.4078 8.4078 8.4129 8.4129 10.1695 10.1695 10.1715 10.1715 k = 0.4783 0.2761 0.3015 ( 3160 PWs) bands (ev): -6.8329 -6.8329 -6.8328 -6.8328 -1.0535 -1.0535 -1.0532 -1.0532 -0.8412 -0.8412 -0.8410 -0.8410 -0.7578 -0.7578 -0.7485 -0.7485 -0.5492 -0.5492 -0.5446 -0.5446 -0.3827 -0.3827 -0.3788 -0.3788 0.5876 0.5876 0.5922 0.5922 3.7793 3.7793 3.7856 3.7856 3.9837 3.9837 3.9843 3.9843 8.3999 8.3999 8.4033 8.4033 10.1600 10.1600 10.1614 10.1614 k = 0.4891 0.2824 0.3015 ( 3164 PWs) bands (ev): -6.8306 -6.8306 -6.8305 -6.8305 -1.0534 -1.0534 -1.0532 -1.0532 -0.8396 -0.8396 -0.8396 -0.8396 -0.7554 -0.7554 -0.7506 -0.7506 -0.5477 -0.5477 -0.5453 -0.5453 -0.3783 -0.3783 -0.3764 -0.3764 0.5763 0.5763 0.5786 0.5786 3.7814 3.7814 3.7846 3.7846 3.9822 3.9822 3.9825 3.9825 8.3955 8.3955 8.3972 8.3972 10.1545 10.1545 10.1551 10.1551 k = 0.5000 0.2887 0.3015 ( 3164 PWs) bands (ev): -6.8298 -6.8298 -6.8298 -6.8298 -1.0533 -1.0533 -1.0533 -1.0533 -0.8391 -0.8391 -0.8391 -0.8391 -0.7530 -0.7530 -0.7530 -0.7530 -0.5463 -0.5463 -0.5463 -0.5463 -0.3762 -0.3762 -0.3762 -0.3762 0.5733 0.5733 0.5733 0.5733 3.7832 3.7832 3.7832 3.7832 3.9818 3.9818 3.9818 3.9818 8.3946 8.3946 8.3946 8.3946 10.1528 10.1528 10.1528 10.1528 k = 0.5000 0.2887 0.3015 ( 3164 PWs) bands (ev): -6.8298 -6.8298 -6.8298 -6.8298 -1.0533 -1.0533 -1.0533 -1.0533 -0.8391 -0.8391 -0.8391 -0.8391 -0.7530 -0.7530 -0.7530 -0.7530 -0.5463 -0.5463 -0.5463 -0.5463 -0.3762 -0.3762 -0.3762 -0.3762 0.5733 0.5733 0.5733 0.5733 3.7832 3.7832 3.7832 3.7832 3.9818 3.9818 3.9818 3.9818 8.3946 8.3946 8.3946 8.3946 10.1528 10.1528 10.1528 10.1528 k = 0.4938 0.2994 0.3015 ( 3170 PWs) bands (ev): -6.8296 -6.8296 -6.8295 -6.8295 -1.0550 -1.0550 -1.0512 -1.0512 -0.8428 -0.8428 -0.8359 -0.8359 -0.7548 -0.7548 -0.7507 -0.7507 -0.5491 -0.5491 -0.5437 -0.5437 -0.3797 -0.3797 -0.3725 -0.3725 0.5724 0.5724 0.5751 0.5751 3.7601 3.7601 3.7962 3.7962 3.9648 3.9648 3.9995 3.9995 8.3976 8.3976 8.4020 8.4020 10.1545 10.1545 10.1585 10.1585 k = 0.4877 0.3101 0.3015 ( 3182 PWs) bands (ev): -6.8290 -6.8290 -6.8288 -6.8288 -1.0563 -1.0563 -1.0488 -1.0488 -0.8467 -0.8467 -0.8329 -0.8329 -0.7562 -0.7562 -0.7480 -0.7480 -0.5520 -0.5520 -0.5411 -0.5411 -0.3830 -0.3830 -0.3687 -0.3687 0.5724 0.5724 0.5778 0.5778 3.7292 3.7292 3.7953 3.7953 3.9523 3.9523 4.0158 4.0158 8.4107 8.4107 8.4195 8.4195 10.1636 10.1636 10.1716 10.1716 k = 0.4815 0.3208 0.3015 ( 3182 PWs) bands (ev): -6.8280 -6.8280 -6.8276 -6.8276 -1.0573 -1.0573 -1.0460 -1.0460 -0.8507 -0.8507 -0.8304 -0.8304 -0.7570 -0.7570 -0.7447 -0.7447 -0.5548 -0.5548 -0.5387 -0.5387 -0.3860 -0.3860 -0.3647 -0.3647 0.5733 0.5733 0.5815 0.5815 3.6913 3.6913 3.7777 3.7777 3.9478 3.9478 4.0300 4.0300 8.4333 8.4333 8.4464 8.4464 10.1802 10.1802 10.1923 10.1923 k = 0.4753 0.3314 0.3015 ( 3180 PWs) bands (ev): -6.8265 -6.8265 -6.8261 -6.8261 -1.0579 -1.0579 -1.0428 -1.0428 -0.8550 -0.8550 -0.8282 -0.8282 -0.7575 -0.7575 -0.7411 -0.7411 -0.5577 -0.5577 -0.5363 -0.5363 -0.3887 -0.3887 -0.3606 -0.3606 0.5750 0.5750 0.5860 0.5860 3.6472 3.6472 3.7444 3.7444 3.9507 3.9507 4.0421 4.0421 8.4648 8.4648 8.4819 8.4819 10.2046 10.2046 10.2208 10.2208 k = 0.4691 0.3421 0.3015 ( 3176 PWs) bands (ev): -6.8247 -6.8247 -6.8241 -6.8241 -1.0582 -1.0582 -1.0393 -1.0393 -0.8594 -0.8594 -0.8263 -0.8263 -0.7575 -0.7575 -0.7370 -0.7370 -0.5606 -0.5606 -0.5342 -0.5342 -0.3911 -0.3911 -0.3563 -0.3563 0.5775 0.5775 0.5915 0.5915 3.5971 3.5971 3.6992 3.6992 3.9580 3.9580 4.0524 4.0524 8.5037 8.5037 8.5248 8.5248 10.2370 10.2370 10.2573 10.2573 k = 0.4630 0.3528 0.3015 ( 3172 PWs) bands (ev): -6.8224 -6.8224 -6.8218 -6.8218 -1.0581 -1.0581 -1.0354 -1.0354 -0.8638 -0.8638 -0.8248 -0.8248 -0.7571 -0.7571 -0.7326 -0.7326 -0.5634 -0.5634 -0.5322 -0.5322 -0.3932 -0.3932 -0.3520 -0.3520 0.5808 0.5808 0.5977 0.5977 3.5415 3.5415 3.6454 3.6454 3.9674 3.9674 4.0614 4.0614 8.5489 8.5489 8.5735 8.5735 10.2779 10.2779 10.3023 10.3023 k = 0.4568 0.3635 0.3015 ( 3172 PWs) bands (ev): -6.8198 -6.8198 -6.8190 -6.8190 -1.0578 -1.0578 -1.0312 -1.0312 -0.8683 -0.8683 -0.8236 -0.8236 -0.7565 -0.7565 -0.7278 -0.7278 -0.5662 -0.5662 -0.5304 -0.5304 -0.3950 -0.3950 -0.3476 -0.3476 0.5848 0.5848 0.6047 0.6047 3.4810 3.4810 3.5851 3.5851 3.9776 3.9776 4.0694 4.0694 8.5987 8.5987 8.6266 8.6266 10.3276 10.3276 10.3560 10.3560 k = 0.4506 0.3742 0.3015 ( 3168 PWs) bands (ev): -6.8169 -6.8169 -6.8160 -6.8160 -1.0572 -1.0572 -1.0267 -1.0267 -0.8728 -0.8728 -0.8227 -0.8227 -0.7555 -0.7555 -0.7229 -0.7229 -0.5689 -0.5689 -0.5288 -0.5288 -0.3963 -0.3963 -0.3431 -0.3431 0.5894 0.5894 0.6125 0.6125 3.4163 3.4163 3.5200 3.5200 3.9881 3.9881 4.0769 4.0769 8.6516 8.6516 8.6824 8.6824 10.3862 10.3862 10.4186 10.4186 k = 0.4444 0.3849 0.3015 ( 3168 PWs) bands (ev): -6.8136 -6.8136 -6.8126 -6.8126 -1.0564 -1.0564 -1.0220 -1.0220 -0.8773 -0.8773 -0.8221 -0.8221 -0.7542 -0.7542 -0.7177 -0.7177 -0.5716 -0.5716 -0.5274 -0.5274 -0.3973 -0.3973 -0.3386 -0.3386 0.5945 0.5945 0.6209 0.6209 3.3481 3.3481 3.4513 3.4513 3.9987 3.9987 4.0840 4.0840 8.7060 8.7060 8.7394 8.7394 10.4541 10.4541 10.4903 10.4903 k = 0.4383 0.3956 0.3015 ( 3164 PWs) bands (ev): -6.8101 -6.8101 -6.8090 -6.8090 -1.0554 -1.0554 -1.0170 -1.0170 -0.8818 -0.8818 -0.8217 -0.8217 -0.7526 -0.7526 -0.7124 -0.7124 -0.5741 -0.5741 -0.5262 -0.5262 -0.3978 -0.3978 -0.3340 -0.3340 0.6000 0.6000 0.6298 0.6298 3.2773 3.2773 3.3801 3.3801 4.0092 4.0092 4.0909 4.0909 8.7606 8.7606 8.7960 8.7960 10.5310 10.5310 10.5709 10.5709 k = 0.4321 0.4063 0.3015 ( 3168 PWs) bands (ev): -6.8063 -6.8063 -6.8051 -6.8051 -1.0542 -1.0542 -1.0119 -1.0119 -0.8861 -0.8861 -0.8214 -0.8214 -0.7509 -0.7509 -0.7071 -0.7071 -0.5765 -0.5765 -0.5252 -0.5252 -0.3979 -0.3979 -0.3295 -0.3295 0.6059 0.6059 0.6392 0.6392 3.2047 3.2047 3.3074 3.3074 4.0196 4.0196 4.0978 4.0978 8.8140 8.8140 8.8511 8.8511 10.6165 10.6165 10.6599 10.6599 k = 0.4259 0.4170 0.3015 ( 3170 PWs) bands (ev): -6.8024 -6.8024 -6.8011 -6.8011 -1.0529 -1.0529 -1.0066 -1.0066 -0.8904 -0.8904 -0.8213 -0.8213 -0.7490 -0.7490 -0.7018 -0.7018 -0.5788 -0.5788 -0.5243 -0.5243 -0.3975 -0.3975 -0.3249 -0.3249 0.6119 0.6119 0.6489 0.6489 3.1313 3.1313 3.2341 3.2341 4.0299 4.0299 4.1047 4.1047 8.8654 8.8654 8.9037 8.9037 10.7099 10.7099 10.7565 10.7565 k = 0.4198 0.4277 0.3015 ( 3162 PWs) bands (ev): -6.7983 -6.7983 -6.7969 -6.7969 -1.0514 -1.0514 -1.0012 -1.0012 -0.8945 -0.8945 -0.8214 -0.8214 -0.7469 -0.7469 -0.6966 -0.6966 -0.5808 -0.5808 -0.5236 -0.5236 -0.3966 -0.3966 -0.3204 -0.3204 0.6180 0.6180 0.6587 0.6587 3.0577 3.0577 3.1613 3.1613 4.0400 4.0400 4.1117 4.1117 8.9138 8.9138 8.9529 8.9529 10.8098 10.8098 10.8592 10.8592 k = 0.4136 0.4384 0.3015 ( 3158 PWs) bands (ev): -6.7940 -6.7940 -6.7926 -6.7926 -1.0499 -1.0499 -0.9958 -0.9958 -0.8986 -0.8986 -0.8215 -0.8215 -0.7447 -0.7447 -0.6915 -0.6915 -0.5827 -0.5827 -0.5231 -0.5231 -0.3952 -0.3952 -0.3159 -0.3159 0.6240 0.6240 0.6686 0.6686 2.9850 2.9850 3.0897 3.0897 4.0499 4.0499 4.1187 4.1187 8.9588 8.9588 8.9983 8.9983 10.9142 10.9142 10.9660 10.9660 k = 0.4074 0.4491 0.3015 ( 3162 PWs) bands (ev): -6.7898 -6.7898 -6.7882 -6.7882 -1.0483 -1.0483 -0.9903 -0.9903 -0.9025 -0.9025 -0.8217 -0.8217 -0.7423 -0.7423 -0.6866 -0.6866 -0.5845 -0.5845 -0.5227 -0.5227 -0.3935 -0.3935 -0.3115 -0.3115 0.6297 0.6297 0.6782 0.6782 2.9140 2.9140 3.0201 3.0201 4.0596 4.0596 4.1257 4.1257 8.9999 8.9999 9.0395 9.0395 11.0204 11.0204 11.0739 11.0739 k = 0.4012 0.4597 0.3015 ( 3154 PWs) bands (ev): -6.7855 -6.7855 -6.7839 -6.7839 -1.0468 -1.0468 -0.9848 -0.9848 -0.9062 -0.9062 -0.8220 -0.8220 -0.7399 -0.7399 -0.6821 -0.6821 -0.5859 -0.5859 -0.5223 -0.5223 -0.3912 -0.3912 -0.3071 -0.3071 0.6351 0.6351 0.6876 0.6876 2.8454 2.8454 2.9532 2.9532 4.0689 4.0689 4.1327 4.1327 9.0369 9.0369 9.0764 9.0764 11.1247 11.1247 11.1790 11.1790 k = 0.3951 0.4704 0.3015 ( 3158 PWs) bands (ev): -6.7813 -6.7813 -6.7796 -6.7796 -1.0453 -1.0453 -0.9795 -0.9795 -0.9097 -0.9097 -0.8224 -0.8224 -0.7375 -0.7375 -0.6778 -0.6778 -0.5872 -0.5872 -0.5221 -0.5221 -0.3886 -0.3886 -0.3029 -0.3029 0.6398 0.6398 0.6964 0.6964 2.7801 2.7801 2.8899 2.8899 4.0779 4.0779 4.1395 4.1395 9.0699 9.0699 9.1091 9.1091 11.2219 11.2219 11.2760 11.2760 k = 0.3889 0.4811 0.3015 ( 3154 PWs) bands (ev): -6.7772 -6.7772 -6.7754 -6.7754 -1.0438 -1.0438 -0.9743 -0.9743 -0.9130 -0.9130 -0.8227 -0.8227 -0.7351 -0.7351 -0.6739 -0.6739 -0.5883 -0.5883 -0.5218 -0.5218 -0.3856 -0.3856 -0.2989 -0.2989 0.6439 0.6439 0.7044 0.7044 2.7187 2.7187 2.8308 2.8308 4.0865 4.0865 4.1462 4.1462 9.0987 9.0987 9.1375 9.1375 11.3057 11.3057 11.3596 11.3596 k = 0.3827 0.4918 0.3015 ( 3150 PWs) bands (ev): -6.7732 -6.7732 -6.7714 -6.7714 -1.0424 -1.0424 -0.9692 -0.9692 -0.9162 -0.9162 -0.8231 -0.8231 -0.7328 -0.7328 -0.6705 -0.6705 -0.5893 -0.5893 -0.5215 -0.5215 -0.3823 -0.3823 -0.2950 -0.2950 0.6472 0.6472 0.7115 0.7115 2.6620 2.6620 2.7765 2.7765 4.0945 4.0945 4.1526 4.1526 9.1235 9.1235 9.1618 9.1618 11.3696 11.3696 11.4251 11.4251 k = 0.3765 0.5025 0.3015 ( 3158 PWs) bands (ev): -6.7695 -6.7695 -6.7677 -6.7677 -1.0411 -1.0411 -0.9645 -0.9645 -0.9191 -0.9191 -0.8235 -0.8235 -0.7306 -0.7306 -0.6675 -0.6675 -0.5900 -0.5900 -0.5212 -0.5212 -0.3787 -0.3787 -0.2914 -0.2914 0.6497 0.6497 0.7175 0.7175 2.6106 2.6106 2.7275 2.7275 4.1019 4.1019 4.1586 4.1586 9.1444 9.1444 9.1822 9.1822 11.4104 11.4104 11.4707 11.4707 k = 0.3704 0.5132 0.3015 ( 3154 PWs) bands (ev): -6.7661 -6.7661 -6.7643 -6.7643 -1.0400 -1.0400 -0.9601 -0.9601 -0.9218 -0.9218 -0.8238 -0.8238 -0.7285 -0.7285 -0.6648 -0.6648 -0.5907 -0.5907 -0.5209 -0.5209 -0.3751 -0.3751 -0.2881 -0.2881 0.6512 0.6512 0.7223 0.7223 2.5650 2.5650 2.6843 2.6843 4.1086 4.1086 4.1641 4.1641 9.1615 9.1615 9.1989 9.1989 11.4307 11.4307 11.4976 11.4976 k = 0.3642 0.5239 0.3015 ( 3154 PWs) bands (ev): -6.7631 -6.7631 -6.7612 -6.7612 -1.0390 -1.0390 -0.9561 -0.9561 -0.9242 -0.9242 -0.8241 -0.8241 -0.7266 -0.7266 -0.6626 -0.6626 -0.5912 -0.5912 -0.5206 -0.5206 -0.3715 -0.3715 -0.2852 -0.2852 0.6519 0.6519 0.7259 0.7259 2.5259 2.5259 2.6473 2.6473 4.1145 4.1145 4.1691 4.1691 9.1751 9.1751 9.2121 9.2121 11.4367 11.4367 11.5098 11.5098 k = 0.3580 0.5346 0.3015 ( 3146 PWs) bands (ev): -6.7604 -6.7604 -6.7585 -6.7585 -1.0381 -1.0381 -0.9526 -0.9526 -0.9262 -0.9262 -0.8244 -0.8244 -0.7250 -0.7250 -0.6608 -0.6608 -0.5915 -0.5915 -0.5202 -0.5202 -0.3680 -0.3680 -0.2826 -0.2826 0.6518 0.6518 0.7283 0.7283 2.4936 2.4936 2.6168 2.6168 4.1196 4.1196 4.1733 4.1733 9.1854 9.1854 9.2221 9.2221 11.4347 11.4347 11.5126 11.5126 k = 0.3519 0.5453 0.3015 ( 3142 PWs) bands (ev): -6.7583 -6.7583 -6.7563 -6.7563 -1.0375 -1.0375 -0.9498 -0.9498 -0.9279 -0.9279 -0.8246 -0.8246 -0.7236 -0.7236 -0.6594 -0.6594 -0.5919 -0.5919 -0.5199 -0.5199 -0.3649 -0.3649 -0.2805 -0.2805 0.6512 0.6512 0.7295 0.7295 2.4683 2.4683 2.5931 2.5931 4.1236 4.1236 4.1768 4.1768 9.1927 9.1927 9.2292 9.2292 11.4294 11.4294 11.5106 11.5106 k = 0.3457 0.5560 0.3015 ( 3146 PWs) bands (ev): -6.7567 -6.7567 -6.7547 -6.7547 -1.0370 -1.0370 -0.9477 -0.9477 -0.9290 -0.9290 -0.8248 -0.8248 -0.7226 -0.7226 -0.6584 -0.6584 -0.5921 -0.5921 -0.5197 -0.5197 -0.3625 -0.3625 -0.2789 -0.2789 0.6502 0.6502 0.7300 0.7300 2.4503 2.4503 2.5761 2.5761 4.1266 4.1266 4.1794 4.1794 9.1975 9.1975 9.2337 9.2337 11.4239 11.4239 11.5071 11.5071 k = 0.3395 0.5667 0.3015 ( 3142 PWs) bands (ev): -6.7557 -6.7557 -6.7537 -6.7537 -1.0367 -1.0367 -0.9465 -0.9465 -0.9297 -0.9297 -0.8248 -0.8248 -0.7220 -0.7220 -0.6578 -0.6578 -0.5922 -0.5922 -0.5195 -0.5195 -0.3608 -0.3608 -0.2779 -0.2779 0.6494 0.6494 0.7299 0.7299 2.4395 2.4395 2.5661 2.5661 4.1285 4.1285 4.1810 4.1810 9.2000 9.2000 9.2361 9.2361 11.4200 11.4200 11.5043 11.5043 k = 0.3333 0.5774 0.3015 ( 3144 PWs) bands (ev): -6.7553 -6.7553 -6.7534 -6.7534 -1.0366 -1.0366 -0.9461 -0.9461 -0.9299 -0.9299 -0.8249 -0.8249 -0.7218 -0.7218 -0.6576 -0.6576 -0.5923 -0.5923 -0.5195 -0.5195 -0.3602 -0.3602 -0.2776 -0.2776 0.6490 0.6490 0.7298 0.7298 2.4360 2.4360 2.5627 2.5627 4.1291 4.1291 4.1816 4.1816 9.2007 9.2007 9.2368 9.2368 11.4186 11.4186 11.5032 11.5032 k = 0.3333 0.5774 0.3015 ( 3144 PWs) bands (ev): -6.7553 -6.7553 -6.7534 -6.7534 -1.0366 -1.0366 -0.9461 -0.9461 -0.9299 -0.9299 -0.8249 -0.8249 -0.7218 -0.7218 -0.6576 -0.6576 -0.5923 -0.5923 -0.5195 -0.5195 -0.3602 -0.3602 -0.2776 -0.2776 0.6490 0.6490 0.7298 0.7298 2.4360 2.4360 2.5627 2.5627 4.1291 4.1291 4.1816 4.1816 9.2007 9.2007 9.2368 9.2368 11.4186 11.4186 11.5032 11.5032 k = 0.3270 0.5665 0.3015 ( 3148 PWs) bands (ev): -6.7557 -6.7557 -6.7537 -6.7537 -1.0367 -1.0367 -0.9465 -0.9465 -0.9298 -0.9298 -0.8249 -0.8249 -0.7220 -0.7220 -0.6578 -0.6578 -0.5922 -0.5922 -0.5196 -0.5196 -0.3609 -0.3609 -0.2780 -0.2780 0.6496 0.6496 0.7301 0.7301 2.4396 2.4396 2.5661 2.5661 4.1284 4.1284 4.1810 4.1810 9.2001 9.2001 9.2362 9.2362 11.4201 11.4201 11.5044 11.5044 k = 0.3208 0.5556 0.3015 ( 3146 PWs) bands (ev): -6.7569 -6.7569 -6.7549 -6.7549 -1.0370 -1.0370 -0.9472 -0.9472 -0.9297 -0.9297 -0.8248 -0.8248 -0.7227 -0.7227 -0.6585 -0.6585 -0.5921 -0.5921 -0.5198 -0.5198 -0.3631 -0.3631 -0.2792 -0.2792 0.6516 0.6516 0.7315 0.7315 2.4502 2.4502 2.5761 2.5761 4.1264 4.1264 4.1791 4.1791 9.1986 9.1986 9.2349 9.2349 11.4244 11.4244 11.5077 11.5077 k = 0.3145 0.5447 0.3015 ( 3146 PWs) bands (ev): -6.7589 -6.7589 -6.7569 -6.7569 -1.0374 -1.0374 -0.9483 -0.9483 -0.9297 -0.9297 -0.8247 -0.8247 -0.7239 -0.7239 -0.6596 -0.6596 -0.5918 -0.5918 -0.5202 -0.5202 -0.3668 -0.3668 -0.2814 -0.2814 0.6557 0.6557 0.7345 0.7345 2.4674 2.4674 2.5924 2.5924 4.1228 4.1228 4.1760 4.1760 9.1967 9.1967 9.2332 9.2332 11.4311 11.4311 11.5126 11.5126 k = 0.3082 0.5338 0.3015 ( 3146 PWs) bands (ev): -6.7618 -6.7618 -6.7599 -6.7599 -1.0381 -1.0381 -0.9496 -0.9496 -0.9302 -0.9302 -0.8247 -0.8247 -0.7255 -0.7255 -0.6611 -0.6611 -0.5916 -0.5916 -0.5207 -0.5207 -0.3721 -0.3721 -0.2847 -0.2847 0.6623 0.6623 0.7398 0.7398 2.4909 2.4909 2.6146 2.6146 4.1179 4.1179 4.1715 4.1715 9.1949 9.1949 9.2316 9.2316 11.4393 11.4393 11.5184 11.5184 k = 0.3019 0.5229 0.3015 ( 3150 PWs) bands (ev): -6.7656 -6.7656 -6.7637 -6.7637 -1.0389 -1.0389 -0.9509 -0.9509 -0.9310 -0.9310 -0.8248 -0.8248 -0.7275 -0.7275 -0.6631 -0.6631 -0.5912 -0.5912 -0.5215 -0.5215 -0.3790 -0.3790 -0.2891 -0.2891 0.6718 0.6718 0.7479 0.7479 2.5202 2.5202 2.6424 2.6424 4.1114 4.1114 4.1656 4.1656 9.1936 9.1936 9.2306 9.2306 11.4483 11.4483 11.5239 11.5239 k = 0.2956 0.5120 0.3015 ( 3150 PWs) bands (ev): -6.7704 -6.7704 -6.7685 -6.7685 -1.0398 -1.0398 -0.9524 -0.9524 -0.9323 -0.9323 -0.8251 -0.8251 -0.7300 -0.7300 -0.6656 -0.6656 -0.5909 -0.5909 -0.5224 -0.5224 -0.3871 -0.3871 -0.2947 -0.2947 0.6847 0.6847 0.7591 0.7591 2.5548 2.5548 2.6754 2.6754 4.1034 4.1034 4.1583 4.1583 9.1932 9.1932 9.2306 9.2306 11.4566 11.4566 11.5278 11.5278 k = 0.2893 0.5011 0.3015 ( 3154 PWs) bands (ev): -6.7761 -6.7761 -6.7743 -6.7743 -1.0408 -1.0408 -0.9539 -0.9539 -0.9340 -0.9340 -0.8256 -0.8256 -0.7330 -0.7330 -0.6684 -0.6684 -0.5906 -0.5906 -0.5235 -0.5235 -0.3964 -0.3964 -0.3016 -0.3016 0.7012 0.7012 0.7738 0.7738 2.5943 2.5943 2.7132 2.7132 4.0940 4.0940 4.1498 4.1498 9.1941 9.1941 9.2319 9.2319 11.4629 11.4629 11.5290 11.5290 k = 0.2830 0.4902 0.3015 ( 3146 PWs) bands (ev): -6.7829 -6.7829 -6.7811 -6.7811 -1.0419 -1.0419 -0.9555 -0.9555 -0.9362 -0.9362 -0.8264 -0.8264 -0.7363 -0.7363 -0.6717 -0.6717 -0.5904 -0.5904 -0.5248 -0.5248 -0.4065 -0.4065 -0.3096 -0.3096 0.7216 0.7216 0.7923 0.7923 2.6383 2.6383 2.7555 2.7555 4.0831 4.0831 4.1399 4.1399 9.1965 9.1965 9.2349 9.2349 11.4658 11.4658 11.5262 11.5262 k = 0.2767 0.4793 0.3015 ( 3142 PWs) bands (ev): -6.7906 -6.7906 -6.7889 -6.7889 -1.0431 -1.0431 -0.9571 -0.9571 -0.9388 -0.9388 -0.8276 -0.8276 -0.7399 -0.7399 -0.6753 -0.6753 -0.5903 -0.5903 -0.5262 -0.5262 -0.4171 -0.4171 -0.3186 -0.3186 0.7459 0.7459 0.8147 0.8147 2.6863 2.6863 2.8018 2.8018 4.0710 4.0710 4.1288 4.1288 9.2007 9.2007 9.2397 9.2397 11.4637 11.4637 11.5188 11.5188 k = 0.2704 0.4684 0.3015 ( 3150 PWs) bands (ev): -6.7994 -6.7994 -6.7977 -6.7977 -1.0445 -1.0445 -0.9589 -0.9589 -0.9419 -0.9419 -0.8294 -0.8294 -0.7438 -0.7438 -0.6794 -0.6794 -0.5904 -0.5904 -0.5277 -0.5277 -0.4279 -0.4279 -0.3285 -0.3285 0.7742 0.7742 0.8410 0.8410 2.7380 2.7380 2.8519 2.8519 4.0575 4.0575 4.1166 4.1166 9.2069 9.2069 9.2466 9.2466 11.4552 11.4552 11.5066 11.5066 k = 0.2642 0.4575 0.3015 ( 3154 PWs) bands (ev): -6.8092 -6.8092 -6.8075 -6.8075 -1.0459 -1.0459 -0.9608 -0.9608 -0.9454 -0.9454 -0.8318 -0.8318 -0.7479 -0.7479 -0.6837 -0.6837 -0.5906 -0.5906 -0.5294 -0.5294 -0.4388 -0.4388 -0.3391 -0.3391 0.8065 0.8065 0.8712 0.8712 2.7930 2.7930 2.9054 2.9054 4.0430 4.0430 4.1033 4.1033 9.2151 9.2151 9.2557 9.2557 11.4396 11.4396 11.4897 11.4897 k = 0.2579 0.4466 0.3015 ( 3158 PWs) bands (ev): -6.8200 -6.8200 -6.8184 -6.8184 -1.0473 -1.0473 -0.9629 -0.9629 -0.9492 -0.9492 -0.8350 -0.8350 -0.7521 -0.7521 -0.6883 -0.6883 -0.5910 -0.5910 -0.5312 -0.5312 -0.4492 -0.4492 -0.3502 -0.3502 0.8427 0.8427 0.9052 0.9052 2.8508 2.8508 2.9620 2.9620 4.0274 4.0274 4.0893 4.0893 9.2256 9.2256 9.2670 9.2670 11.4170 11.4170 11.4683 11.4683 k = 0.2516 0.4357 0.3015 ( 3158 PWs) bands (ev): -6.8318 -6.8318 -6.8302 -6.8302 -1.0488 -1.0488 -0.9651 -0.9651 -0.9532 -0.9532 -0.8390 -0.8390 -0.7563 -0.7563 -0.6932 -0.6932 -0.5916 -0.5916 -0.5331 -0.5331 -0.4592 -0.4592 -0.3616 -0.3616 0.8827 0.8827 0.9430 0.9430 2.9112 2.9112 3.0213 3.0213 4.0111 4.0111 4.0745 4.0745 9.2382 9.2382 9.2806 9.2806 11.3882 11.3882 11.4425 11.4425 k = 0.2453 0.4248 0.3015 ( 3158 PWs) bands (ev): -6.8445 -6.8445 -6.8430 -6.8430 -1.0503 -1.0503 -0.9677 -0.9677 -0.9574 -0.9574 -0.8439 -0.8439 -0.7603 -0.7603 -0.6983 -0.6983 -0.5923 -0.5923 -0.5350 -0.5350 -0.4685 -0.4685 -0.3730 -0.3730 0.9263 0.9263 0.9845 0.9845 2.9738 2.9738 3.0830 3.0830 3.9941 3.9941 4.0593 4.0593 9.2529 9.2529 9.2964 9.2964 11.3546 11.3546 11.4126 11.4126 k = 0.2390 0.4139 0.3015 ( 3162 PWs) bands (ev): -6.8581 -6.8581 -6.8566 -6.8566 -1.0518 -1.0518 -0.9706 -0.9706 -0.9616 -0.9616 -0.8498 -0.8498 -0.7641 -0.7641 -0.7036 -0.7036 -0.5931 -0.5931 -0.5371 -0.5371 -0.4771 -0.4771 -0.3843 -0.3843 0.9733 0.9733 1.0294 1.0294 3.0383 3.0383 3.1469 3.1469 3.9767 3.9767 4.0440 4.0440 9.2697 9.2697 9.3145 9.3145 11.3172 11.3172 11.3789 11.3789 k = 0.2327 0.4031 0.3015 ( 3162 PWs) bands (ev): -6.8726 -6.8726 -6.8712 -6.8712 -1.0534 -1.0534 -0.9741 -0.9741 -0.9655 -0.9655 -0.8566 -0.8566 -0.7677 -0.7677 -0.7091 -0.7091 -0.5941 -0.5941 -0.5391 -0.5391 -0.4848 -0.4848 -0.3954 -0.3954 1.0235 1.0235 1.0777 1.0777 3.1041 3.1041 3.2126 3.2126 3.9592 3.9592 4.0287 4.0287 9.2884 9.2884 9.3346 9.3346 11.2770 11.2770 11.3419 11.3419 k = 0.2264 0.3922 0.3015 ( 3158 PWs) bands (ev): -6.8879 -6.8879 -6.8866 -6.8866 -1.0549 -1.0549 -0.9783 -0.9783 -0.9691 -0.9691 -0.8642 -0.8642 -0.7710 -0.7710 -0.7146 -0.7146 -0.5950 -0.5950 -0.5412 -0.5412 -0.4918 -0.4918 -0.4061 -0.4061 1.0767 1.0767 1.1290 1.1290 3.1710 3.1710 3.2798 3.2798 3.9419 3.9419 4.0139 4.0139 9.3088 9.3088 9.3566 9.3566 11.2348 11.2348 11.3019 11.3019 k = 0.2201 0.3813 0.3015 ( 3154 PWs) bands (ev): -6.9040 -6.9040 -6.9027 -6.9027 -1.0565 -1.0565 -0.9830 -0.9830 -0.9724 -0.9724 -0.8724 -0.8724 -0.7740 -0.7740 -0.7202 -0.7202 -0.5961 -0.5961 -0.5432 -0.5432 -0.4979 -0.4979 -0.4164 -0.4164 1.1327 1.1327 1.1833 1.1833 3.2385 3.2385 3.3481 3.3481 3.9251 3.9251 4.0001 4.0001 9.3309 9.3309 9.3804 9.3804 11.1910 11.1910 11.2596 11.2596 k = 0.2138 0.3704 0.3015 ( 3158 PWs) bands (ev): -6.9208 -6.9208 -6.9196 -6.9196 -1.0580 -1.0580 -0.9881 -0.9881 -0.9756 -0.9756 -0.8811 -0.8811 -0.7769 -0.7769 -0.7258 -0.7258 -0.5971 -0.5971 -0.5453 -0.5453 -0.5034 -0.5034 -0.4262 -0.4262 1.1911 1.1911 1.2402 1.2402 3.3059 3.3059 3.4171 3.4171 3.9094 3.9094 3.9876 3.9876 9.3543 9.3543 9.4058 9.4058 11.1460 11.1460 11.2151 11.2151 k = 0.2075 0.3595 0.3015 ( 3162 PWs) bands (ev): -6.9383 -6.9383 -6.9371 -6.9371 -1.0596 -1.0596 -0.9934 -0.9934 -0.9788 -0.9788 -0.8900 -0.8900 -0.7797 -0.7797 -0.7315 -0.7315 -0.5981 -0.5981 -0.5474 -0.5474 -0.5083 -0.5083 -0.4354 -0.4354 1.2519 1.2519 1.2996 1.2996 3.3727 3.3727 3.4863 3.4863 3.8954 3.8954 3.9774 3.9774 9.3787 9.3787 9.4325 9.4325 11.0998 11.0998 11.1687 11.1687 k = 0.2013 0.3486 0.3015 ( 3156 PWs) bands (ev): -6.9563 -6.9563 -6.9552 -6.9552 -1.0612 -1.0612 -0.9987 -0.9987 -0.9821 -0.9821 -0.8990 -0.8990 -0.7823 -0.7823 -0.7371 -0.7371 -0.5990 -0.5990 -0.5493 -0.5493 -0.5125 -0.5125 -0.4441 -0.4441 1.3145 1.3145 1.3611 1.3611 3.4379 3.4379 3.5547 3.5547 3.8840 3.8840 3.9702 3.9702 9.4040 9.4040 9.4603 9.4603 11.0526 11.0526 11.1206 11.1206 k = 0.1950 0.3377 0.3015 ( 3164 PWs) bands (ev): -6.9749 -6.9749 -6.9738 -6.9738 -1.0628 -1.0628 -1.0040 -1.0040 -0.9855 -0.9855 -0.9080 -0.9080 -0.7849 -0.7849 -0.7428 -0.7428 -0.5999 -0.5999 -0.5513 -0.5513 -0.5163 -0.5163 -0.4522 -0.4522 1.3788 1.3788 1.4245 1.4245 3.5002 3.5002 3.6209 3.6209 3.8770 3.8770 3.9674 3.9674 9.4298 9.4298 9.4888 9.4888 11.0043 11.0043 11.0710 11.0710 k = 0.1887 0.3268 0.3015 ( 3160 PWs) bands (ev): -6.9939 -6.9939 -6.9928 -6.9928 -1.0643 -1.0643 -1.0093 -1.0093 -0.9890 -0.9890 -0.9168 -0.9168 -0.7875 -0.7875 -0.7483 -0.7483 -0.6007 -0.6007 -0.5531 -0.5531 -0.5196 -0.5196 -0.4597 -0.4597 1.4443 1.4443 1.4894 1.4894 3.5581 3.5581 3.6820 3.6820 3.8775 3.8775 3.9706 3.9706 9.4557 9.4557 9.5178 9.5178 10.9550 10.9550 11.0202 11.0202 k = 0.1824 0.3159 0.3015 ( 3164 PWs) bands (ev): -7.0132 -7.0132 -7.0121 -7.0121 -1.0658 -1.0658 -1.0145 -1.0145 -0.9927 -0.9927 -0.9253 -0.9253 -0.7901 -0.7901 -0.7539 -0.7539 -0.6014 -0.6014 -0.5549 -0.5549 -0.5225 -0.5225 -0.4668 -0.4668 1.5108 1.5108 1.5555 1.5555 3.6093 3.6093 3.7321 3.7321 3.8916 3.8916 3.9820 3.9820 9.4812 9.4812 9.5468 9.5468 10.9046 10.9046 10.9685 10.9685 k = 0.1761 0.3050 0.3015 ( 3164 PWs) bands (ev): -7.0328 -7.0328 -7.0318 -7.0318 -1.0673 -1.0673 -1.0195 -1.0195 -0.9965 -0.9965 -0.9334 -0.9334 -0.7928 -0.7928 -0.7593 -0.7593 -0.6020 -0.6020 -0.5565 -0.5565 -0.5250 -0.5250 -0.4733 -0.4733 1.5777 1.5777 1.6222 1.6222 3.6520 3.6520 3.7653 3.7653 3.9255 3.9255 4.0036 4.0036 9.5060 9.5060 9.5754 9.5754 10.8535 10.8535 10.9164 10.9164 k = 0.1698 0.2941 0.3015 ( 3156 PWs) bands (ev): -7.0526 -7.0526 -7.0516 -7.0516 -1.0688 -1.0688 -1.0243 -1.0243 -1.0005 -1.0005 -0.9410 -0.9410 -0.7954 -0.7954 -0.7647 -0.7647 -0.6024 -0.6024 -0.5581 -0.5581 -0.5272 -0.5272 -0.4793 -0.4793 1.6447 1.6447 1.6892 1.6892 3.6854 3.6854 3.7844 3.7844 3.9766 3.9766 4.0365 4.0365 9.5292 9.5292 9.6029 9.6029 10.8020 10.8020 10.8646 10.8646 k = 0.1635 0.2832 0.3015 ( 3150 PWs) bands (ev): -7.0725 -7.0725 -7.0715 -7.0715 -1.0702 -1.0702 -1.0290 -1.0290 -1.0045 -1.0045 -0.9482 -0.9482 -0.7981 -0.7981 -0.7700 -0.7700 -0.6028 -0.6028 -0.5595 -0.5595 -0.5291 -0.5291 -0.4849 -0.4849 1.7112 1.7112 1.7559 1.7559 3.7107 3.7107 3.7977 3.7977 4.0365 4.0365 4.0800 4.0800 9.5503 9.5503 9.6286 9.6286 10.7507 10.7507 10.8139 10.8139 k = 0.1572 0.2723 0.3015 ( 3150 PWs) bands (ev): -7.0924 -7.0924 -7.0915 -7.0915 -1.0717 -1.0717 -1.0335 -1.0335 -1.0085 -1.0085 -0.9549 -0.9549 -0.8009 -0.8009 -0.7752 -0.7752 -0.6030 -0.6030 -0.5608 -0.5608 -0.5309 -0.5309 -0.4901 -0.4901 1.7767 1.7767 1.8217 1.8217 3.7309 3.7309 3.8106 3.8106 4.0994 4.0994 4.1322 4.1322 9.5682 9.5682 9.6513 9.6513 10.7008 10.7008 10.7654 10.7654 k = 0.1509 0.2614 0.3015 ( 3150 PWs) bands (ev): -7.1123 -7.1123 -7.1114 -7.1114 -1.0730 -1.0730 -1.0378 -1.0378 -1.0125 -1.0125 -0.9611 -0.9611 -0.8037 -0.8037 -0.7803 -0.7803 -0.6032 -0.6032 -0.5620 -0.5620 -0.5324 -0.5324 -0.4949 -0.4949 1.8407 1.8407 1.8861 1.8861 3.7494 3.7494 3.8256 3.8256 4.1629 4.1629 4.1902 4.1902 9.5817 9.5817 9.6697 9.6697 10.6536 10.6536 10.7205 10.7205 k = 0.1447 0.2505 0.3015 ( 3146 PWs) bands (ev): -7.1320 -7.1320 -7.1311 -7.1311 -1.0744 -1.0744 -1.0420 -1.0420 -1.0164 -1.0164 -0.9670 -0.9670 -0.8064 -0.8064 -0.7853 -0.7853 -0.6032 -0.6032 -0.5631 -0.5631 -0.5336 -0.5336 -0.4994 -0.4994 1.9026 1.9026 1.9483 1.9483 3.7689 3.7689 3.8438 3.8438 4.2261 4.2261 4.2516 4.2516 9.5895 9.5895 9.6820 9.6820 10.6112 10.6112 10.6807 10.6807 k = 0.1384 0.2397 0.3015 ( 3138 PWs) bands (ev): -7.1515 -7.1515 -7.1507 -7.1507 -1.0756 -1.0756 -1.0461 -1.0461 -1.0202 -1.0202 -0.9724 -0.9724 -0.8092 -0.8092 -0.7901 -0.7901 -0.6032 -0.6032 -0.5640 -0.5640 -0.5347 -0.5347 -0.5036 -0.5036 1.9619 1.9619 2.0078 2.0078 3.7915 3.7915 3.8662 3.8662 4.2887 4.2887 4.3141 4.3141 9.5899 9.5899 9.6861 9.6861 10.5759 10.5759 10.6477 10.6477 k = 0.1321 0.2288 0.3015 ( 3130 PWs) bands (ev): -7.1707 -7.1707 -7.1699 -7.1699 -1.0768 -1.0768 -1.0500 -1.0500 -1.0237 -1.0237 -0.9776 -0.9776 -0.8120 -0.8120 -0.7947 -0.7947 -0.6030 -0.6030 -0.5649 -0.5649 -0.5357 -0.5357 -0.5075 -0.5075 2.0180 2.0180 2.0639 2.0639 3.8185 3.8185 3.8935 3.8935 4.3507 4.3507 4.3764 4.3764 9.5814 9.5814 9.6798 9.6798 10.5502 10.5502 10.6232 10.6232 k = 0.1258 0.2179 0.3015 ( 3138 PWs) bands (ev): -7.1896 -7.1896 -7.1888 -7.1888 -1.0780 -1.0780 -1.0538 -1.0538 -1.0270 -1.0270 -0.9825 -0.9825 -0.8147 -0.8147 -0.7993 -0.7993 -0.6028 -0.6028 -0.5656 -0.5656 -0.5366 -0.5366 -0.5112 -0.5112 2.0704 2.0704 2.1161 2.1161 3.8511 3.8511 3.9263 3.9263 4.4116 4.4116 4.4377 4.4377 9.5626 9.5626 9.6612 9.6612 10.5363 10.5363 10.6087 10.6087 k = 0.1195 0.2070 0.3015 ( 3126 PWs) bands (ev): -7.2080 -7.2080 -7.2072 -7.2072 -1.0791 -1.0791 -1.0574 -1.0574 -1.0300 -1.0300 -0.9871 -0.9871 -0.8174 -0.8174 -0.8036 -0.8036 -0.6024 -0.6024 -0.5662 -0.5662 -0.5373 -0.5373 -0.5146 -0.5146 2.1188 2.1188 2.1639 2.1639 3.8897 3.8897 3.9649 3.9649 4.4711 4.4711 4.4973 4.4973 9.5326 9.5326 9.6292 9.6292 10.5354 10.5354 10.6054 10.6054 k = 0.1132 0.1961 0.3015 ( 3126 PWs) bands (ev): -7.2259 -7.2259 -7.2251 -7.2251 -1.0802 -1.0802 -1.0610 -1.0610 -1.0327 -1.0327 -0.9915 -0.9915 -0.8201 -0.8201 -0.8078 -0.8078 -0.6020 -0.6020 -0.5668 -0.5668 -0.5379 -0.5379 -0.5178 -0.5178 2.1629 2.1629 2.2070 2.2070 3.9347 3.9347 4.0095 4.0095 4.5290 4.5290 4.5550 4.5550 9.4913 9.4913 9.5840 9.5840 10.5477 10.5477 10.6135 10.6135 k = 0.1069 0.1852 0.3015 ( 3126 PWs) bands (ev): -7.2432 -7.2432 -7.2425 -7.2425 -1.0812 -1.0812 -1.0644 -1.0644 -1.0351 -1.0351 -0.9956 -0.9956 -0.8227 -0.8227 -0.8118 -0.8118 -0.6014 -0.6014 -0.5672 -0.5672 -0.5384 -0.5384 -0.5208 -0.5208 2.2025 2.2025 2.2453 2.2453 3.9861 3.9861 4.0600 4.0600 4.5849 4.5849 4.6105 4.6105 9.4392 9.4392 9.5267 9.5267 10.5723 10.5723 10.6328 10.6328 k = 0.1006 0.1743 0.3015 ( 3130 PWs) bands (ev): -7.2599 -7.2599 -7.2592 -7.2592 -1.0822 -1.0822 -1.0676 -1.0676 -1.0372 -1.0372 -0.9997 -0.9997 -0.8252 -0.8252 -0.8155 -0.8155 -0.6008 -0.6008 -0.5676 -0.5676 -0.5389 -0.5389 -0.5236 -0.5236 2.2376 2.2376 2.2787 2.2787 4.0436 4.0436 4.1163 4.1163 4.6386 4.6386 4.6636 4.6636 9.3773 9.3773 9.4590 9.4590 10.6079 10.6079 10.6626 10.6626 k = 0.0943 0.1634 0.3015 ( 3122 PWs) bands (ev): -7.2758 -7.2758 -7.2752 -7.2752 -1.0831 -1.0831 -1.0707 -1.0707 -1.0390 -1.0390 -1.0034 -1.0034 -0.8275 -0.8275 -0.8191 -0.8191 -0.6001 -0.6001 -0.5680 -0.5680 -0.5393 -0.5393 -0.5262 -0.5262 2.2684 2.2684 2.3074 2.3074 4.1068 4.1068 4.1779 4.1779 4.6901 4.6901 4.7142 4.7142 9.3070 9.3070 9.3828 9.3828 10.6529 10.6529 10.7017 10.7017 k = 0.0881 0.1525 0.3015 ( 3122 PWs) bands (ev): -7.2910 -7.2910 -7.2904 -7.2904 -1.0840 -1.0840 -1.0736 -1.0736 -1.0406 -1.0406 -1.0071 -1.0071 -0.8298 -0.8298 -0.8224 -0.8224 -0.5993 -0.5993 -0.5684 -0.5684 -0.5397 -0.5397 -0.5286 -0.5286 2.2949 2.2949 2.3316 2.3316 4.1750 4.1750 4.2440 4.2440 4.7391 4.7391 4.7622 4.7622 9.2299 9.2299 9.2999 9.2999 10.7058 10.7058 10.7491 10.7491 k = 0.0818 0.1416 0.3015 ( 3118 PWs) bands (ev): -7.3054 -7.3054 -7.3049 -7.3049 -1.0848 -1.0848 -1.0762 -1.0762 -1.0419 -1.0419 -1.0105 -1.0105 -0.8320 -0.8320 -0.8256 -0.8256 -0.5984 -0.5984 -0.5687 -0.5687 -0.5401 -0.5401 -0.5308 -0.5308 2.3176 2.3176 2.3518 2.3518 4.2473 4.2473 4.3139 4.3139 4.7856 4.7856 4.8075 4.8075 9.1474 9.1474 9.2119 9.2119 10.7655 10.7655 10.8037 10.8037 k = 0.0755 0.1307 0.3015 ( 3114 PWs) bands (ev): -7.3190 -7.3190 -7.3184 -7.3184 -1.0856 -1.0856 -1.0787 -1.0787 -1.0430 -1.0430 -1.0138 -1.0138 -0.8340 -0.8340 -0.8284 -0.8284 -0.5974 -0.5974 -0.5691 -0.5691 -0.5403 -0.5403 -0.5328 -0.5328 2.3368 2.3368 2.3684 2.3684 4.3227 4.3227 4.3865 4.3865 4.8297 4.8297 4.8502 4.8502 9.0610 9.0610 9.1204 9.1204 10.8308 10.8308 10.8645 10.8645 k = 0.0692 0.1198 0.3015 ( 3122 PWs) bands (ev): -7.3316 -7.3316 -7.3311 -7.3311 -1.0865 -1.0865 -1.0810 -1.0810 -1.0438 -1.0438 -1.0169 -1.0169 -0.8360 -0.8360 -0.8312 -0.8312 -0.5963 -0.5963 -0.5696 -0.5696 -0.5406 -0.5406 -0.5347 -0.5347 2.3529 2.3529 2.3817 2.3817 4.3998 4.3998 4.4606 4.4606 4.8713 4.8713 4.8904 4.8904 8.9724 8.9724 9.0269 9.0269 10.9010 10.9010 10.9306 10.9306 k = 0.0629 0.1089 0.3015 ( 3126 PWs) bands (ev): -7.3432 -7.3432 -7.3428 -7.3428 -1.0873 -1.0873 -1.0831 -1.0831 -1.0444 -1.0444 -1.0199 -1.0199 -0.8378 -0.8378 -0.8336 -0.8336 -0.5952 -0.5952 -0.5702 -0.5702 -0.5409 -0.5409 -0.5363 -0.5363 2.3662 2.3662 2.3922 2.3922 4.4772 4.4772 4.5347 4.5347 4.9107 4.9107 4.9281 4.9281 8.8829 8.8829 8.9328 8.9328 10.9752 10.9752 11.0011 11.0011 k = 0.0566 0.0980 0.3015 ( 3122 PWs) bands (ev): -7.3539 -7.3539 -7.3535 -7.3535 -1.0881 -1.0881 -1.0849 -1.0849 -1.0448 -1.0448 -1.0226 -1.0226 -0.8394 -0.8394 -0.8358 -0.8358 -0.5940 -0.5940 -0.5708 -0.5708 -0.5412 -0.5412 -0.5377 -0.5377 2.3772 2.3772 2.4004 2.4004 4.5536 4.5536 4.6073 4.6073 4.9480 4.9480 4.9637 4.9637 8.7941 8.7941 8.8396 8.8396 11.0528 11.0528 11.0754 11.0754 k = 0.0503 0.0871 0.3015 ( 3124 PWs) bands (ev): -7.3635 -7.3635 -7.3632 -7.3632 -1.0888 -1.0888 -1.0866 -1.0866 -1.0450 -1.0450 -1.0252 -1.0252 -0.8408 -0.8408 -0.8378 -0.8378 -0.5927 -0.5927 -0.5715 -0.5715 -0.5414 -0.5414 -0.5389 -0.5389 2.3862 2.3862 2.4066 2.4066 4.6270 4.6270 4.6765 4.6765 4.9835 4.9835 4.9973 4.9973 8.7078 8.7078 8.7488 8.7488 11.1329 11.1329 11.1526 11.1526 k = 0.0440 0.0763 0.3015 ( 3124 PWs) bands (ev): -7.3721 -7.3721 -7.3718 -7.3718 -1.0896 -1.0896 -1.0880 -1.0880 -1.0450 -1.0450 -1.0277 -1.0277 -0.8421 -0.8421 -0.8396 -0.8396 -0.5914 -0.5914 -0.5724 -0.5724 -0.5416 -0.5416 -0.5399 -0.5399 2.3935 2.3935 2.4112 2.4112 4.6957 4.6957 4.7404 4.7404 5.0177 5.0177 5.0292 5.0292 8.6256 8.6256 8.6621 8.6621 11.2150 11.2150 11.2319 11.2319 k = 0.0377 0.0654 0.3015 ( 3118 PWs) bands (ev): -7.3796 -7.3796 -7.3793 -7.3793 -1.0902 -1.0902 -1.0892 -1.0892 -1.0448 -1.0448 -1.0299 -1.0299 -0.8432 -0.8432 -0.8411 -0.8411 -0.5900 -0.5900 -0.5734 -0.5734 -0.5418 -0.5418 -0.5408 -0.5408 2.3994 2.3994 2.4145 2.4145 4.7579 4.7579 4.7969 4.7969 5.0508 5.0508 5.0599 5.0599 8.5493 8.5493 8.5812 8.5812 11.2981 11.2981 11.3126 11.3126 k = 0.0314 0.0545 0.3015 ( 3102 PWs) bands (ev): -7.3860 -7.3860 -7.3857 -7.3857 -1.0908 -1.0908 -1.0902 -1.0902 -1.0444 -1.0444 -1.0320 -1.0320 -0.8441 -0.8440 -0.8424 -0.8424 -0.5885 -0.5885 -0.5744 -0.5744 -0.5420 -0.5420 -0.5413 -0.5413 2.4042 2.4042 2.4167 2.4167 4.8118 4.8118 4.8445 4.8445 5.0828 5.0828 5.0891 5.0891 8.4808 8.4808 8.5080 8.5080 11.3815 11.3815 11.3937 11.3937 k = 0.0252 0.0436 0.3015 ( 3100 PWs) bands (ev): -7.3912 -7.3912 -7.3910 -7.3910 -1.0913 -1.0913 -1.0910 -1.0910 -1.0438 -1.0438 -1.0339 -1.0339 -0.8448 -0.8448 -0.8435 -0.8435 -0.5871 -0.5871 -0.5756 -0.5756 -0.5421 -0.5421 -0.5418 -0.5418 2.4081 2.4081 2.4180 2.4180 4.8562 4.8562 4.8821 4.8821 5.1127 5.1127 5.1165 5.1165 8.4221 8.4221 8.4442 8.4442 11.4640 11.4640 11.4739 11.4739 k = 0.0189 0.0327 0.3015 ( 3096 PWs) bands (ev): -7.3953 -7.3953 -7.3952 -7.3952 -1.0917 -1.0917 -1.0916 -1.0916 -1.0431 -1.0431 -1.0357 -1.0357 -0.8453 -0.8453 -0.8444 -0.8444 -0.5856 -0.5856 -0.5769 -0.5769 -0.5423 -0.5423 -0.5421 -0.5421 2.4112 2.4112 2.4186 2.4186 4.8907 4.8907 4.9096 4.9096 5.1390 5.1390 5.1408 5.1408 8.3748 8.3748 8.3917 8.3917 11.5438 11.5438 11.5514 11.5514 k = 0.0126 0.0218 0.3015 ( 3092 PWs) bands (ev): -7.3982 -7.3982 -7.3981 -7.3981 -1.0920 -1.0920 -1.0920 -1.0920 -1.0422 -1.0422 -1.0373 -1.0373 -0.8456 -0.8456 -0.8450 -0.8450 -0.5841 -0.5841 -0.5782 -0.5782 -0.5424 -0.5424 -0.5424 -0.5424 2.4136 2.4136 2.4185 2.4185 4.9154 4.9154 4.9277 4.9277 5.1597 5.1597 5.1602 5.1602 8.3405 8.3405 8.3520 8.3520 11.6169 11.6169 11.6219 11.6219 k = 0.0063 0.0109 0.3015 ( 3108 PWs) bands (ev): -7.4000 -7.4000 -7.3999 -7.3999 -1.0923 -1.0923 -1.0923 -1.0923 -1.0413 -1.0412 -1.0388 -1.0388 -0.8458 -0.8458 -0.8455 -0.8455 -0.5826 -0.5826 -0.5797 -0.5797 -0.5425 -0.5425 -0.5425 -0.5425 2.4156 2.4156 2.4180 2.4180 4.9311 4.9311 4.9371 4.9371 5.1728 5.1728 5.1729 5.1729 8.3206 8.3206 8.3264 8.3264 11.6710 11.6710 11.6728 11.6728 k = 0.0000 0.0000 0.3015 ( 3110 PWs) bands (ev): -7.4005 -7.4005 -7.4005 -7.4005 -1.0924 -1.0924 -1.0924 -1.0924 -1.0401 -1.0401 -1.0401 -1.0401 -0.8458 -0.8458 -0.8458 -0.8458 -0.5811 -0.5811 -0.5811 -0.5811 -0.5426 -0.5426 -0.5426 -0.5426 2.4170 2.4170 2.4170 2.4170 4.9382 4.9382 4.9382 4.9382 5.1774 5.1774 5.1774 5.1774 8.3158 8.3158 8.3158 8.3158 11.6884 11.6884 11.6884 11.6884 k = 0.5000 0.2887 0.3015 ( 3164 PWs) bands (ev): -6.8298 -6.8298 -6.8298 -6.8298 -1.0533 -1.0533 -1.0533 -1.0533 -0.8391 -0.8391 -0.8391 -0.8391 -0.7530 -0.7530 -0.7530 -0.7530 -0.5463 -0.5463 -0.5463 -0.5463 -0.3762 -0.3762 -0.3762 -0.3762 0.5733 0.5733 0.5733 0.5733 3.7832 3.7832 3.7832 3.7832 3.9818 3.9818 3.9818 3.9818 8.3946 8.3946 8.3946 8.3946 10.1528 10.1528 10.1528 10.1528 k = 0.5000 0.2887 0.2890 ( 3168 PWs) bands (ev): -6.8385 -6.8385 -6.8211 -6.8211 -1.0568 -1.0568 -1.0494 -1.0494 -0.8429 -0.8429 -0.8355 -0.8355 -0.7553 -0.7553 -0.7502 -0.7502 -0.5496 -0.5496 -0.5432 -0.5432 -0.3794 -0.3794 -0.3730 -0.3730 0.5506 0.5506 0.5981 0.5981 3.7263 3.7263 3.8294 3.8294 3.9417 3.9417 4.0272 4.0272 8.3411 8.3411 8.4507 8.4507 10.1304 10.1304 10.1849 10.1849 k = 0.5000 0.2887 0.2764 ( 3164 PWs) bands (ev): -6.8472 -6.8472 -6.8125 -6.8125 -1.0601 -1.0601 -1.0453 -1.0453 -0.8468 -0.8468 -0.8320 -0.8320 -0.7571 -0.7571 -0.7471 -0.7471 -0.5528 -0.5528 -0.5400 -0.5400 -0.3826 -0.3826 -0.3699 -0.3699 0.5302 0.5302 0.6248 0.6248 3.6624 3.6624 3.8465 3.8465 3.9270 3.9270 4.0732 4.0732 8.2923 8.2923 8.5068 8.5068 10.1196 10.1196 10.2247 10.2247 k = 0.5000 0.2887 0.2638 ( 3168 PWs) bands (ev): -6.8559 -6.8559 -6.8040 -6.8040 -1.0631 -1.0631 -1.0408 -1.0408 -0.8508 -0.8508 -0.8288 -0.8288 -0.7584 -0.7584 -0.7437 -0.7437 -0.5560 -0.5560 -0.5369 -0.5369 -0.3858 -0.3858 -0.3668 -0.3668 0.5120 0.5120 0.6533 0.6533 3.5927 3.5927 3.8208 3.8208 3.9521 3.9521 4.1175 4.1175 8.2501 8.2501 8.5603 8.5603 10.1225 10.1225 10.2705 10.2705 k = 0.5000 0.2887 0.2513 ( 3154 PWs) bands (ev): -6.8645 -6.8645 -6.7957 -6.7957 -1.0658 -1.0658 -1.0361 -1.0361 -0.8547 -0.8547 -0.8257 -0.8257 -0.7592 -0.7592 -0.7400 -0.7400 -0.5591 -0.5591 -0.5339 -0.5339 -0.3889 -0.3889 -0.3639 -0.3639 0.4963 0.4963 0.6835 0.6835 3.5181 3.5181 3.7833 3.7833 3.9866 3.9866 4.1589 4.1589 8.2162 8.2162 8.6089 8.6089 10.1409 10.1409 10.3207 10.3207 k = 0.5000 0.2887 0.2387 ( 3160 PWs) bands (ev): -6.8730 -6.8730 -6.7876 -6.7876 -1.0682 -1.0682 -1.0312 -1.0312 -0.8586 -0.8586 -0.8231 -0.8231 -0.7595 -0.7595 -0.7360 -0.7360 -0.5623 -0.5623 -0.5310 -0.5310 -0.3920 -0.3920 -0.3612 -0.3612 0.4831 0.4831 0.7152 0.7152 3.4397 3.4397 3.7450 3.7450 4.0191 4.0191 4.1971 4.1971 8.1916 8.1916 8.6504 8.6504 10.1764 10.1764 10.3736 10.3736 k = 0.5000 0.2887 0.2262 ( 3160 PWs) bands (ev): -6.8814 -6.8814 -6.7796 -6.7796 -1.0703 -1.0703 -1.0261 -1.0261 -0.8625 -0.8625 -0.8208 -0.8208 -0.7591 -0.7591 -0.7318 -0.7318 -0.5653 -0.5653 -0.5282 -0.5282 -0.3951 -0.3951 -0.3588 -0.3588 0.4726 0.4726 0.7483 0.7483 3.3586 3.3586 3.7076 3.7076 4.0470 4.0470 4.2322 4.2322 8.1774 8.1774 8.6836 8.6836 10.2296 10.2296 10.4278 10.4278 k = 0.5000 0.2887 0.2136 ( 3150 PWs) bands (ev): -6.8895 -6.8895 -6.7720 -6.7720 -1.0722 -1.0722 -1.0208 -1.0208 -0.8664 -0.8664 -0.8188 -0.8188 -0.7581 -0.7581 -0.7275 -0.7275 -0.5683 -0.5683 -0.5256 -0.5256 -0.3979 -0.3979 -0.3565 -0.3565 0.4646 0.4646 0.7825 0.7825 3.2756 3.2756 3.6718 3.6718 4.0688 4.0688 4.2648 4.2648 8.1741 8.1741 8.7077 8.7077 10.3004 10.3004 10.4816 10.4816 k = 0.5000 0.2887 0.2010 ( 3164 PWs) bands (ev): -6.8974 -6.8974 -6.7646 -6.7646 -1.0739 -1.0739 -1.0154 -1.0154 -0.8702 -0.8702 -0.8173 -0.8173 -0.7566 -0.7566 -0.7231 -0.7231 -0.5713 -0.5713 -0.5232 -0.5232 -0.4007 -0.4007 -0.3546 -0.3546 0.4593 0.4593 0.8177 0.8177 3.1916 3.1916 3.6376 3.6376 4.0833 4.0833 4.2958 4.2958 8.1819 8.1819 8.7233 8.7233 10.3874 10.3874 10.5334 10.5334 k = 0.5000 0.2887 0.1885 ( 3164 PWs) bands (ev): -6.9051 -6.9051 -6.7575 -6.7575 -1.0754 -1.0754 -1.0098 -1.0098 -0.8739 -0.8739 -0.8161 -0.8161 -0.7545 -0.7545 -0.7187 -0.7187 -0.5741 -0.5741 -0.5210 -0.5210 -0.4034 -0.4034 -0.3530 -0.3530 0.4567 0.4567 0.8536 0.8536 3.1074 3.1074 3.6052 3.6052 4.0899 4.0899 4.3261 4.3261 8.2007 8.2007 8.7312 8.7312 10.4880 10.4880 10.5823 10.5823 k = 0.5000 0.2887 0.1759 ( 3160 PWs) bands (ev): -6.9124 -6.9124 -6.7508 -6.7508 -1.0767 -1.0767 -1.0042 -1.0042 -0.8775 -0.8775 -0.8152 -0.8152 -0.7519 -0.7519 -0.7143 -0.7143 -0.5768 -0.5768 -0.5191 -0.5191 -0.4058 -0.4058 -0.3518 -0.3518 0.4567 0.4567 0.8899 0.8899 3.0239 3.0239 3.5746 3.5746 4.0884 4.0884 4.3561 4.3561 8.2301 8.2301 8.7329 8.7329 10.5887 10.5887 10.6376 10.6376 k = 0.5000 0.2887 0.1633 ( 3164 PWs) bands (ev): -6.9194 -6.9194 -6.7445 -6.7445 -1.0778 -1.0778 -0.9986 -0.9986 -0.8810 -0.8810 -0.8146 -0.8146 -0.7489 -0.7489 -0.7100 -0.7100 -0.5794 -0.5794 -0.5174 -0.5174 -0.4082 -0.4082 -0.3509 -0.3509 0.4592 0.4592 0.9265 0.9265 2.9416 2.9416 3.5458 3.5458 4.0795 4.0795 4.3858 4.3858 8.2694 8.2694 8.7296 8.7296 10.6395 10.6395 10.7450 10.7450 k = 0.5000 0.2887 0.1508 ( 3170 PWs) bands (ev): -6.9261 -6.9261 -6.7385 -6.7385 -1.0788 -1.0788 -0.9930 -0.9930 -0.8845 -0.8845 -0.8142 -0.8142 -0.7456 -0.7456 -0.7059 -0.7059 -0.5819 -0.5819 -0.5160 -0.5160 -0.4103 -0.4103 -0.3504 -0.3504 0.4641 0.4641 0.9628 0.9628 2.8612 2.8612 3.5188 3.5189 4.0641 4.0641 4.4150 4.4150 8.3177 8.3177 8.7228 8.7228 10.6619 10.6619 10.8785 10.8785 k = 0.5000 0.2887 0.1382 ( 3168 PWs) bands (ev): -6.9323 -6.9323 -6.7329 -6.7329 -1.0796 -1.0796 -0.9875 -0.9875 -0.8878 -0.8878 -0.8140 -0.8140 -0.7420 -0.7420 -0.7019 -0.7019 -0.5842 -0.5842 -0.5148 -0.5148 -0.4122 -0.4122 -0.3501 -0.3501 0.4711 0.4711 0.9987 0.9987 2.7835 2.7835 3.4939 3.4939 4.0435 4.0435 4.4434 4.4434 8.3740 8.3740 8.7136 8.7136 10.6694 10.6694 11.0214 11.0214 k = 0.5000 0.2887 0.1256 ( 3162 PWs) bands (ev): -6.9381 -6.9381 -6.7278 -6.7278 -1.0803 -1.0803 -0.9821 -0.9821 -0.8910 -0.8910 -0.8139 -0.8139 -0.7382 -0.7382 -0.6982 -0.6982 -0.5863 -0.5863 -0.5140 -0.5140 -0.4138 -0.4138 -0.3502 -0.3502 0.4799 0.4799 1.0338 1.0338 2.7091 2.7091 3.4709 3.4709 4.0189 4.0189 4.4706 4.4706 8.4370 8.4370 8.7031 8.7031 10.6624 10.6624 11.1699 11.1699 k = 0.5000 0.2887 0.1131 ( 3158 PWs) bands (ev): -6.9434 -6.9434 -6.7231 -6.7231 -1.0809 -1.0809 -0.9768 -0.9768 -0.8941 -0.8941 -0.8139 -0.8139 -0.7344 -0.7344 -0.6948 -0.6948 -0.5883 -0.5883 -0.5134 -0.5134 -0.4152 -0.4152 -0.3505 -0.3505 0.4903 0.4903 1.0675 1.0675 2.6386 2.6386 3.4499 3.4499 3.9917 3.9917 4.4962 4.4962 8.5050 8.5050 8.6924 8.6924 10.6413 10.6413 11.3219 11.3219 k = 0.5000 0.2887 0.1005 ( 3158 PWs) bands (ev): -6.9482 -6.9482 -6.7188 -6.7188 -1.0814 -1.0814 -0.9718 -0.9718 -0.8971 -0.8971 -0.8139 -0.8139 -0.7305 -0.7305 -0.6919 -0.6919 -0.5902 -0.5902 -0.5131 -0.5131 -0.4164 -0.4164 -0.3510 -0.3510 0.5017 0.5017 1.0996 1.0996 2.5728 2.5728 3.4311 3.4311 3.9631 3.9631 4.5200 4.5200 8.5757 8.5757 8.6830 8.6830 10.6073 10.6073 11.4752 11.4752 k = 0.5000 0.2887 0.0879 ( 3162 PWs) bands (ev): -6.9525 -6.9525 -6.7150 -6.7150 -1.0818 -1.0818 -0.9670 -0.9670 -0.9000 -0.9000 -0.8141 -0.8141 -0.7267 -0.7267 -0.6893 -0.6893 -0.5918 -0.5918 -0.5130 -0.5130 -0.4174 -0.4174 -0.3517 -0.3517 0.5137 0.5137 1.1294 1.1294 2.5123 2.5123 3.4143 3.4143 3.9346 3.9346 4.5416 4.5416 8.6379 8.6379 8.6848 8.6848 10.5626 10.5626 11.6274 11.6274 k = 0.5000 0.2887 0.0754 ( 3166 PWs) bands (ev): -6.9563 -6.9563 -6.7117 -6.7117 -1.0822 -1.0822 -0.9625 -0.9625 -0.9028 -0.9028 -0.8142 -0.8142 -0.7231 -0.7231 -0.6872 -0.6872 -0.5933 -0.5933 -0.5131 -0.5131 -0.4182 -0.4182 -0.3524 -0.3524 0.5258 0.5258 1.1566 1.1566 2.4579 2.4579 3.3997 3.3997 3.9071 3.9071 4.5608 4.5608 8.6500 8.6500 8.7377 8.7377 10.5103 10.5103 11.7757 11.7757 k = 0.5000 0.2887 0.0628 ( 3152 PWs) bands (ev): -6.9596 -6.9596 -6.7089 -6.7089 -1.0824 -1.0824 -0.9583 -0.9583 -0.9054 -0.9054 -0.8143 -0.8143 -0.7197 -0.7197 -0.6854 -0.6854 -0.5944 -0.5944 -0.5132 -0.5132 -0.4188 -0.4188 -0.3532 -0.3532 0.5374 0.5374 1.1806 1.1806 2.4103 2.4103 3.3873 3.3873 3.8819 3.8819 4.5774 4.5774 8.6440 8.6440 8.8078 8.8078 10.4539 10.4539 11.9164 11.9164 k = 0.5000 0.2887 0.0503 ( 3144 PWs) bands (ev): -6.9622 -6.9622 -6.7066 -6.7066 -1.0826 -1.0826 -0.9546 -0.9546 -0.9078 -0.9078 -0.8145 -0.8145 -0.7166 -0.7166 -0.6841 -0.6841 -0.5954 -0.5954 -0.5135 -0.5135 -0.4192 -0.4192 -0.3538 -0.3538 0.5480 0.5480 1.2011 1.2011 2.3701 2.3701 3.3771 3.3771 3.8598 3.8598 4.5912 4.5912 8.6372 8.6372 8.8750 8.8750 10.3976 10.3976 11.9667 11.9667 k = 0.5000 0.2887 0.0377 ( 3148 PWs) bands (ev): -6.9643 -6.9643 -6.7048 -6.7048 -1.0828 -1.0828 -0.9514 -0.9514 -0.9099 -0.9099 -0.8146 -0.8146 -0.7141 -0.7141 -0.6832 -0.6832 -0.5962 -0.5962 -0.5138 -0.5138 -0.4195 -0.4195 -0.3545 -0.3545 0.5568 0.5568 1.2175 1.2175 2.3381 2.3381 3.3692 3.3692 3.8417 3.8417 4.6021 4.6021 8.6314 8.6314 8.9341 8.9341 10.3461 10.3461 11.9407 11.9407 k = 0.5000 0.2887 0.0251 ( 3146 PWs) bands (ev): -6.9658 -6.9658 -6.7035 -6.7035 -1.0829 -1.0829 -0.9490 -0.9490 -0.9116 -0.9116 -0.8147 -0.8147 -0.7122 -0.7122 -0.6827 -0.6827 -0.5967 -0.5967 -0.5140 -0.5140 -0.4197 -0.4197 -0.3549 -0.3549 0.5636 0.5636 1.2295 1.2295 2.3148 2.3148 3.3635 3.3635 3.8282 3.8282 4.6100 4.6100 8.6271 8.6271 8.9809 8.9809 10.3042 10.3042 11.9219 11.9219 k = 0.5000 0.2887 0.0126 ( 3150 PWs) bands (ev): -6.9667 -6.9667 -6.7027 -6.7027 -1.0830 -1.0830 -0.9474 -0.9474 -0.9127 -0.9127 -0.8148 -0.8148 -0.7110 -0.7110 -0.6824 -0.6824 -0.5970 -0.5970 -0.5142 -0.5142 -0.4198 -0.4198 -0.3552 -0.3552 0.5678 0.5678 1.2368 1.2368 2.3006 2.3006 3.3601 3.3601 3.8200 3.8200 4.6147 4.6147 8.6245 8.6245 9.0112 9.0112 10.2766 10.2766 11.9105 11.9105 k = 0.5000 0.2887-0.0000 ( 3146 PWs) bands (ev): -6.9670 -6.9670 -6.7025 -6.7025 -1.0830 -1.0830 -0.9469 -0.9469 -0.9131 -0.9131 -0.8148 -0.8148 -0.7105 -0.7105 -0.6823 -0.6823 -0.5971 -0.5971 -0.5142 -0.5142 -0.4198 -0.4198 -0.3553 -0.3553 0.5693 0.5693 1.2392 1.2392 2.2958 2.2958 3.3590 3.3590 3.8172 3.8172 4.6163 4.6163 8.6236 8.6236 9.0217 9.0217 10.2670 10.2670 11.9067 11.9067 k = 0.3333 0.5774-0.0000 ( 3174 PWs) bands (ev): -6.7661 -6.7638 -6.7628 -6.7628 -1.0663 -1.0663 -0.9054 -0.9054 -0.9035 -0.9035 -0.7875 -0.7875 -0.7230 -0.7230 -0.6640 -0.5670 -0.5638 -0.5638 -0.5132 -0.5132 -0.3955 -0.3955 -0.3625 -0.2940 0.9552 1.0596 1.1059 1.1059 1.8024 1.8024 3.1535 3.1952 3.1952 3.2579 3.4080 3.4080 9.4001 9.4001 10.6978 10.9328 10.9472 10.9472 13.0675 13.1083 k = 0.3333 0.5774 0.0126 ( 3168 PWs) bands (ev): -6.7660 -6.7637 -6.7628 -6.7628 -1.0661 -1.0661 -0.9054 -0.9054 -0.9037 -0.9037 -0.7877 -0.7877 -0.7229 -0.7229 -0.6640 -0.5674 -0.5639 -0.5639 -0.5132 -0.5132 -0.3954 -0.3954 -0.3621 -0.2939 0.9535 1.0574 1.1038 1.1038 1.8038 1.8038 3.1577 3.1983 3.1983 3.2617 3.4068 3.4068 9.4046 9.4046 10.6909 10.9247 10.9388 10.9388 13.0456 13.1023 k = 0.3333 0.5774 0.0251 ( 3159 PWs) bands (ev): -6.7659 -6.7636 -6.7627 -6.7627 -1.0658 -1.0658 -0.9057 -0.9056 -0.9040 -0.9040 -0.7885 -0.7885 -0.7226 -0.7226 -0.6641 -0.5686 -0.5642 -0.5642 -0.5133 -0.5133 -0.3950 -0.3950 -0.3610 -0.2935 0.9483 1.0509 1.0975 1.0975 1.8080 1.8080 3.1703 3.2074 3.2074 3.2731 3.4035 3.4035 9.4179 9.4179 10.6704 10.9004 10.9139 10.9139 12.9912 13.0803 k = 0.3333 0.5774 0.0377 ( 3153 PWs) bands (ev): -6.7657 -6.7634 -6.7625 -6.7625 -1.0653 -1.0653 -0.9062 -0.9060 -0.9046 -0.9046 -0.7897 -0.7897 -0.7223 -0.7223 -0.6643 -0.5704 -0.5648 -0.5648 -0.5135 -0.5135 -0.3943 -0.3943 -0.3592 -0.2930 0.9398 1.0403 1.0873 1.0873 1.8151 1.8151 3.1909 3.2209 3.2209 3.2917 3.3992 3.3992 9.4401 9.4401 10.6366 10.8604 10.8729 10.8729 12.9229 13.0369 k = 0.3333 0.5774 0.0503 ( 3147 PWs) bands (ev): -6.7654 -6.7632 -6.7622 -6.7622 -1.0646 -1.0646 -0.9069 -0.9066 -0.9055 -0.9055 -0.7913 -0.7913 -0.7218 -0.7218 -0.6646 -0.5730 -0.5655 -0.5655 -0.5137 -0.5137 -0.3934 -0.3934 -0.3567 -0.2923 0.9283 1.0259 1.0736 1.0736 1.8249 1.8249 3.2190 3.2360 3.2360 3.3173 3.3967 3.3967 9.4709 9.4709 10.5902 10.8056 10.8171 10.8171 12.8531 12.9804 k = 0.3333 0.5774 0.0628 ( 3156 PWs) bands (ev): -6.7650 -6.7628 -6.7619 -6.7619 -1.0637 -1.0637 -0.9079 -0.9073 -0.9066 -0.9066 -0.7934 -0.7934 -0.7213 -0.7213 -0.6649 -0.5763 -0.5665 -0.5665 -0.5141 -0.5141 -0.3922 -0.3922 -0.3537 -0.2914 0.9141 1.0082 1.0567 1.0567 1.8374 1.8374 3.2472 3.2472 3.2542 3.3493 3.4009 3.4009 9.5102 9.5102 10.5320 10.7373 10.7476 10.7476 12.7876 12.9181 k = 0.3333 0.5774 0.0754 ( 3156 PWs) bands (ev): -6.7646 -6.7625 -6.7615 -6.7615 -1.0627 -1.0627 -0.9090 -0.9082 -0.9080 -0.9080 -0.7956 -0.7956 -0.7208 -0.7208 -0.6653 -0.5800 -0.5677 -0.5677 -0.5144 -0.5144 -0.3908 -0.3908 -0.3501 -0.2903 0.8977 0.9878 1.0372 1.0372 1.8526 1.8526 3.2483 3.2483 3.2956 3.3872 3.4174 3.4174 9.5579 9.5579 10.4632 10.6568 10.6662 10.6662 12.7291 12.8510 k = 0.3333 0.5774 0.0879 ( 3162 PWs) bands (ev): -6.7641 -6.7620 -6.7610 -6.7610 -1.0615 -1.0615 -0.9103 -0.9097 -0.9097 -0.9092 -0.7981 -0.7981 -0.7203 -0.7203 -0.6657 -0.5842 -0.5690 -0.5690 -0.5148 -0.5148 -0.3892 -0.3892 -0.3462 -0.2891 0.8795 0.9652 1.0156 1.0156 1.8704 1.8704 3.2373 3.2373 3.3426 3.4302 3.4478 3.4478 9.6135 9.6135 10.3851 10.5663 10.5749 10.5749 12.6786 12.7911 k = 0.3333 0.5774 0.1005 ( 3174 PWs) bands (ev): -6.7635 -6.7615 -6.7605 -6.7605 -1.0601 -1.0601 -0.9117 -0.9116 -0.9116 -0.9104 -0.8007 -0.8007 -0.7199 -0.7199 -0.6662 -0.5888 -0.5706 -0.5706 -0.5153 -0.5153 -0.3875 -0.3875 -0.3419 -0.2878 0.8599 0.9409 0.9925 0.9925 1.8908 1.8908 3.2165 3.2165 3.3942 3.4776 3.4893 3.4893 9.6769 9.6769 10.2994 10.4675 10.4758 10.4758 12.6359 12.7387 k = 0.3333 0.5774 0.1131 ( 3168 PWs) bands (ev): -6.7629 -6.7610 -6.7599 -6.7599 -1.0586 -1.0586 -0.9137 -0.9137 -0.9131 -0.9116 -0.8033 -0.8033 -0.7195 -0.7195 -0.6666 -0.5936 -0.5722 -0.5722 -0.5157 -0.5157 -0.3855 -0.3855 -0.3373 -0.2863 0.8395 0.9155 0.9683 0.9683 1.9137 1.9137 3.1888 3.1888 3.4496 3.5286 3.5382 3.5382 9.7478 9.7478 10.2078 10.3628 10.3711 10.3711 12.6005 12.6936 k = 0.3333 0.5774 0.1256 ( 3162 PWs) bands (ev): -6.7623 -6.7605 -6.7593 -6.7593 -1.0569 -1.0569 -0.9160 -0.9160 -0.9147 -0.9129 -0.8059 -0.8059 -0.7192 -0.7192 -0.6670 -0.5986 -0.5740 -0.5740 -0.5162 -0.5162 -0.3833 -0.3833 -0.3325 -0.2848 0.8186 0.8896 0.9437 0.9437 1.9390 1.9390 3.1562 3.1562 3.5079 3.5824 3.5920 3.5920 9.8256 9.8256 10.1120 10.2541 10.2627 10.2627 12.5716 12.6551 k = 0.3333 0.5774 0.1382 ( 3144 PWs) bands (ev): -6.7616 -6.7599 -6.7587 -6.7587 -1.0551 -1.0551 -0.9185 -0.9185 -0.9163 -0.9143 -0.8083 -0.8083 -0.7190 -0.7190 -0.6673 -0.6037 -0.5758 -0.5758 -0.5165 -0.5165 -0.3811 -0.3811 -0.3276 -0.2832 0.7977 0.8635 0.9190 0.9190 1.9666 1.9666 3.1198 3.1198 3.5683 3.6381 3.6491 3.6491 9.9096 9.9096 10.0139 10.1434 10.1533 10.1533 12.5483 12.6228 k = 0.3333 0.5774 0.1508 ( 3150 PWs) bands (ev): -6.7610 -6.7593 -6.7581 -6.7581 -1.0533 -1.0533 -0.9212 -0.9212 -0.9180 -0.9159 -0.8107 -0.8107 -0.7190 -0.7190 -0.6676 -0.6089 -0.5777 -0.5777 -0.5170 -0.5170 -0.3788 -0.3788 -0.3226 -0.2817 0.7771 0.8377 0.8947 0.8947 1.9964 1.9964 3.0804 3.0804 3.6298 3.6949 3.7080 3.7080 9.9150 9.9926 9.9926 10.0325 10.0513 10.0513 12.5298 12.5958 k = 0.3333 0.5774 0.1633 ( 3150 PWs) bands (ev): -6.7603 -6.7588 -6.7575 -6.7575 -1.0514 -1.0514 -0.9240 -0.9240 -0.9197 -0.9174 -0.8130 -0.8130 -0.7191 -0.7191 -0.6678 -0.6141 -0.5796 -0.5796 -0.5174 -0.5174 -0.3765 -0.3765 -0.3177 -0.2802 0.7572 0.8126 0.8712 0.8712 2.0283 2.0283 3.0384 3.0384 3.6915 3.7517 3.7676 3.7676 9.8172 9.9232 9.9293 9.9293 10.1036 10.1036 12.5153 12.5734 k = 0.3333 0.5774 0.1759 ( 3150 PWs) bands (ev): -6.7596 -6.7582 -6.7569 -6.7569 -1.0495 -1.0495 -0.9269 -0.9269 -0.9214 -0.9190 -0.8151 -0.8151 -0.7192 -0.7192 -0.6679 -0.6191 -0.5815 -0.5815 -0.5177 -0.5177 -0.3741 -0.3741 -0.3128 -0.2788 0.7383 0.7885 0.8487 0.8487 2.0623 2.0623 2.9945 2.9945 3.7525 3.8079 3.8267 3.8267 9.7220 9.8170 9.8257 9.8257 10.2052 10.2052 12.5041 12.5549 k = 0.3333 0.5774 0.1885 ( 3150 PWs) bands (ev): -6.7590 -6.7577 -6.7563 -6.7563 -1.0475 -1.0475 -0.9298 -0.9298 -0.9229 -0.9205 -0.8170 -0.8170 -0.7195 -0.7195 -0.6678 -0.6241 -0.5833 -0.5833 -0.5181 -0.5181 -0.3719 -0.3719 -0.3080 -0.2775 0.7206 0.7657 0.8276 0.8276 2.0982 2.0982 2.9489 2.9489 3.8119 3.8623 3.8843 3.8843 9.6309 9.7154 9.7258 9.7258 10.3133 10.3133 12.4957 12.5398 k = 0.3333 0.5774 0.2010 ( 3147 PWs) bands (ev): -6.7583 -6.7572 -6.7557 -6.7557 -1.0456 -1.0456 -0.9326 -0.9326 -0.9244 -0.9221 -0.8187 -0.8187 -0.7197 -0.7197 -0.6676 -0.6289 -0.5850 -0.5850 -0.5184 -0.5184 -0.3697 -0.3697 -0.3034 -0.2763 0.7045 0.7444 0.8081 0.8081 2.1358 2.1358 2.9020 2.9020 3.8688 3.9140 3.9394 3.9394 9.5454 9.6198 9.6318 9.6318 10.4266 10.4266 12.4781 12.4781 k = 0.3333 0.5774 0.2136 ( 3147 PWs) bands (ev): -6.7577 -6.7567 -6.7552 -6.7552 -1.0438 -1.0438 -0.9353 -0.9353 -0.9258 -0.9235 -0.8201 -0.8201 -0.7201 -0.7201 -0.6672 -0.6334 -0.5866 -0.5866 -0.5186 -0.5186 -0.3677 -0.3677 -0.2990 -0.2754 0.6900 0.7249 0.7904 0.7904 2.1750 2.1750 2.8542 2.8542 3.9221 3.9622 3.9910 3.9910 9.4668 9.5314 9.5453 9.5453 10.5445 10.5445 12.3696 12.3696 k = 0.3333 0.5774 0.2262 ( 3147 PWs) bands (ev): -6.7572 -6.7563 -6.7548 -6.7548 -1.0421 -1.0421 -0.9379 -0.9379 -0.9270 -0.9249 -0.8214 -0.8214 -0.7205 -0.7205 -0.6666 -0.6377 -0.5880 -0.5880 -0.5189 -0.5189 -0.3658 -0.3658 -0.2949 -0.2747 0.6775 0.7073 0.7748 0.7748 2.2157 2.2157 2.8059 2.8059 3.9711 4.0058 4.0381 4.0381 9.3963 9.4514 9.4674 9.4674 10.6665 10.6665 12.2530 12.2530 k = 0.3333 0.5774 0.2387 ( 3150 PWs) bands (ev): -6.7567 -6.7560 -6.7543 -6.7543 -1.0406 -1.0406 -0.9402 -0.9402 -0.9280 -0.9262 -0.8225 -0.8225 -0.7208 -0.7208 -0.6658 -0.6418 -0.5893 -0.5893 -0.5191 -0.5191 -0.3642 -0.3642 -0.2910 -0.2743 0.6670 0.6917 0.7613 0.7613 2.2575 2.2575 2.7573 2.7573 4.0148 4.0440 4.0798 4.0798 9.3352 9.3809 9.3994 9.3994 10.7922 10.7922 12.1300 12.1300 k = 0.3333 0.5774 0.2513 ( 3150 PWs) bands (ev): -6.7563 -6.7557 -6.7540 -6.7540 -1.0392 -1.0392 -0.9423 -0.9423 -0.9288 -0.9273 -0.8234 -0.8234 -0.7212 -0.7212 -0.6647 -0.6456 -0.5904 -0.5904 -0.5192 -0.5192 -0.3628 -0.3628 -0.2876 -0.2742 0.6587 0.6784 0.7500 0.7500 2.3001 2.3001 2.7090 2.7090 4.0524 4.0760 4.1153 4.1153 9.2845 9.3209 9.3422 9.3422 10.9210 10.9210 12.0021 12.0021 k = 0.3333 0.5774 0.2638 ( 3150 PWs) bands (ev): -6.7559 -6.7555 -6.7537 -6.7537 -1.0381 -1.0381 -0.9439 -0.9439 -0.9294 -0.9283 -0.8240 -0.8240 -0.7214 -0.7214 -0.6634 -0.6491 -0.5912 -0.5912 -0.5193 -0.5193 -0.3617 -0.3617 -0.2845 -0.2744 0.6527 0.6675 0.7412 0.7412 2.3428 2.3428 2.6618 2.6618 4.0832 4.1010 4.1438 4.1438 9.2450 9.2723 9.2966 9.2966 11.0524 11.0524 11.8707 11.8707 k = 0.3333 0.5774 0.2764 ( 3159 PWs) bands (ev): -6.7557 -6.7554 -6.7535 -6.7535 -1.0373 -1.0373 -0.9452 -0.9452 -0.9298 -0.9291 -0.8245 -0.8245 -0.7217 -0.7217 -0.6618 -0.6522 -0.5918 -0.5918 -0.5194 -0.5194 -0.3609 -0.3609 -0.2818 -0.2751 0.6490 0.6589 0.7349 0.7349 2.3840 2.3840 2.6173 2.6173 4.1065 4.1185 4.1646 4.1646 9.2176 9.2358 9.2636 9.2636 11.1854 11.1854 11.7371 11.7371 k = 0.3333 0.5774 0.2890 ( 3141 PWs) bands (ev): -6.7555 -6.7553 -6.7534 -6.7534 -1.0368 -1.0368 -0.9459 -0.9459 -0.9299 -0.9295 -0.8248 -0.8248 -0.7218 -0.7218 -0.6598 -0.6550 -0.5921 -0.5921 -0.5195 -0.5195 -0.3604 -0.3604 -0.2794 -0.2761 0.6478 0.6527 0.7310 0.7310 2.4195 2.4195 2.5798 2.5798 4.1220 4.1279 4.1773 4.1773 9.2027 9.2118 9.2435 9.2435 11.3179 11.3179 11.6041 11.6041 k = 0.3333 0.5774 0.3015 ( 3144 PWs) bands (ev): -6.7553 -6.7553 -6.7534 -6.7534 -1.0366 -1.0366 -0.9461 -0.9461 -0.9299 -0.9299 -0.8249 -0.8249 -0.7218 -0.7218 -0.6576 -0.6576 -0.5923 -0.5923 -0.5195 -0.5195 -0.3602 -0.3602 -0.2776 -0.2776 0.6490 0.6490 0.7298 0.7298 2.4360 2.4360 2.5627 2.5627 4.1291 4.1291 4.1816 4.1816 9.2007 9.2007 9.2368 9.2368 11.4186 11.4186 11.5032 11.5032 Writing output data file ZnSe.save init_run : 3.75s CPU 13.53s WALL ( 1 calls) electrons : 408.76s CPU 416.04s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.55s WALL ( 1 calls) Called by electrons: c_bands : 408.66s CPU 415.48s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.91s WALL ( 1 calls) v_h : 0.02s CPU 0.03s WALL ( 1 calls) v_xc : 0.06s CPU 0.55s WALL ( 1 calls) newd : 0.31s CPU 0.60s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.54s WALL ( 333 calls) cegterg : 344.15s CPU 346.78s WALL ( 699 calls) Called by sum_band: Called by *egterg: h_psi : 160.80s CPU 166.56s WALL ( 11386 calls) s_psi : 12.97s CPU 13.68s WALL ( 11386 calls) g_psi : 0.34s CPU 0.41s WALL ( 10354 calls) cdiaghg : 126.29s CPU 124.23s WALL ( 10687 calls) cegterg:over : 28.40s CPU 25.88s WALL ( 10354 calls) cegterg:upda : 4.26s CPU 6.70s WALL ( 10354 calls) cegterg:last : 4.36s CPU 5.00s WALL ( 1698 calls) Called by h_psi: h_psi:vloc : 133.68s CPU 138.76s WALL ( 11386 calls) h_psi:vnl : 26.96s CPU 27.40s WALL ( 11386 calls) add_vuspsi : 8.27s CPU 10.95s WALL ( 11386 calls) General routines calbec : 18.66s CPU 16.30s WALL ( 11386 calls) fft : 0.35s CPU 1.39s WALL ( 19 calls) ffts : 0.01s CPU 0.03s WALL ( 4 calls) fftw : 126.50s CPU 131.24s WALL ( 894176 calls) interpolate : 0.06s CPU 0.13s WALL ( 4 calls) davcio : 0.03s CPU 3.37s WALL ( 666 calls) Parallel routines fft_scatter : 79.68s CPU 80.35s WALL ( 894199 calls) PWSCF : 7m39.53s CPU 10m 6.88s WALL This run was terminated on: 7:22: 1 29Jun2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=