Program PWSCF v.5.3.0 (svn rev. 11974) starts on 30Jan2017 at 23:54: 2 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./BaTe2.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 26 7 972 659 100 Max 35 27 8 975 690 104 Sum 2487 1937 557 70101 48909 7333 Message from routine sym_rho_init: likely internal error: no G-vectors found bravais-lattice index = 14 lattice parameter (alat) = 12.7577 a.u. unit-cell volume = 1548.2061 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 38.0000 Ry charge density cutoff = 193.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.757677 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.434289 celldm(5)= -0.434289 celldm(6)= -0.131421 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.131421 0.991327 0.000000 ) a(3) = ( -0.434289 -0.495663 0.752137 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.132571 0.664772 ) b(2) = ( 0.000000 1.008749 0.664772 ) b(3) = ( 0.000000 0.000000 1.329544 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) Te 6.00 127.60000 Te( 1.00) 4 Sym. Ops., with inversion, found ( 2 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 =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.4342894 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.4956633 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.4342894 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.4956633 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 253 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0000000 0.0214443), wk = 0.0039526 k( 3) = ( 0.0000000 0.0000000 0.0428885), wk = 0.0039526 k( 4) = ( 0.0000000 0.0000000 0.0643328), wk = 0.0039526 k( 5) = ( 0.0000000 0.0000000 0.0857771), wk = 0.0039526 k( 6) = ( 0.0000000 0.0000000 0.1072213), wk = 0.0039526 k( 7) = ( 0.0000000 0.0000000 0.1286656), wk = 0.0039526 k( 8) = ( 0.0000000 0.0000000 0.1501099), wk = 0.0039526 k( 9) = ( 0.0000000 0.0000000 0.1715541), wk = 0.0039526 k( 10) = ( 0.0000000 0.0000000 0.1929984), wk = 0.0039526 k( 11) = ( 0.0000000 0.0000000 0.2144426), wk = 0.0039526 k( 12) = ( 0.0000000 0.0000000 0.2358869), wk = 0.0039526 k( 13) = ( 0.0000000 0.0000000 0.2573312), wk = 0.0039526 k( 14) = ( 0.0000000 0.0000000 0.2787754), wk = 0.0039526 k( 15) = ( 0.0000000 0.0000000 0.3002197), wk = 0.0039526 k( 16) = ( 0.0000000 0.0000000 0.3216640), wk = 0.0039526 k( 17) = ( 0.0000000 0.0000000 0.3431082), wk = 0.0039526 k( 18) = ( 0.0000000 0.0000000 0.3645525), wk = 0.0039526 k( 19) = ( 0.0000000 0.0000000 0.3859968), wk = 0.0039526 k( 20) = ( 0.0000000 0.0000000 0.4074410), wk = 0.0039526 k( 21) = ( 0.0000000 0.0000000 0.4288853), wk = 0.0039526 k( 22) = ( 0.0000000 0.0000000 0.4503296), wk = 0.0039526 k( 23) = ( 0.0000000 0.0000000 0.4717738), wk = 0.0039526 k( 24) = ( 0.0000000 0.0000000 0.4932181), wk = 0.0039526 k( 25) = ( 0.0000000 0.0000000 0.5146623), wk = 0.0039526 k( 26) = ( 0.0000000 0.0000000 0.5361066), wk = 0.0039526 k( 27) = ( 0.0000000 0.0000000 0.5575509), wk = 0.0039526 k( 28) = ( 0.0000000 0.0000000 0.5789951), wk = 0.0039526 k( 29) = ( 0.0000000 0.0000000 0.6004394), wk = 0.0039526 k( 30) = ( 0.0000000 0.0000000 0.6218837), wk = 0.0039526 k( 31) = ( 0.0000000 0.0000000 0.6433279), wk = 0.0039526 k( 32) = ( 0.0000000 0.0000000 0.6647722), wk = 0.0039526 k( 33) = ( 0.0000000 0.0000000 0.6647722), wk = 0.0039526 k( 34) = ( -0.0155073 0.0135871 0.6647722), wk = 0.0039526 k( 35) = ( -0.0310146 0.0271743 0.6647722), wk = 0.0039526 k( 36) = ( -0.0465218 0.0407614 0.6647722), wk = 0.0039526 k( 37) = ( -0.0620291 0.0543486 0.6647722), wk = 0.0039526 k( 38) = ( -0.0775364 0.0679357 0.6647722), wk = 0.0039526 k( 39) = ( -0.0930437 0.0815229 0.6647722), wk = 0.0039526 k( 40) = ( -0.1085510 0.0951100 0.6647722), wk = 0.0039526 k( 41) = ( -0.1240583 0.1086972 0.6647722), wk = 0.0039526 k( 42) = ( -0.1395656 0.1222843 0.6647722), wk = 0.0039526 k( 43) = ( -0.1550729 0.1358715 0.6647722), wk = 0.0039526 k( 44) = ( -0.1705801 0.1494586 0.6647722), wk = 0.0039526 k( 45) = ( -0.1860874 0.1630458 0.6647722), wk = 0.0039526 k( 46) = ( -0.2015947 0.1766329 0.6647722), wk = 0.0039526 k( 47) = ( -0.2171020 0.1902200 0.6647722), wk = 0.0039526 k( 48) = ( -0.2326093 0.2038072 0.6647722), wk = 0.0039526 k( 49) = ( -0.2481166 0.2173943 0.6647722), wk = 0.0039526 k( 50) = ( -0.2636238 0.2309815 0.6647722), wk = 0.0039526 k( 51) = ( -0.2791311 0.2445686 0.6647722), wk = 0.0039526 k( 52) = ( -0.2946384 0.2581558 0.6647722), wk = 0.0039526 k( 53) = ( -0.3101457 0.2717429 0.6647722), wk = 0.0039526 k( 54) = ( -0.3256530 0.2853301 0.6647722), wk = 0.0039526 k( 55) = ( -0.3256530 0.2853301 0.6647722), wk = 0.0039526 k( 56) = ( -0.3365497 0.2948775 0.6502846), wk = 0.0039526 k( 57) = ( -0.3474464 0.3044249 0.6357969), wk = 0.0039526 k( 58) = ( -0.3583430 0.3139724 0.6213093), wk = 0.0039526 k( 59) = ( -0.3692397 0.3235198 0.6068217), wk = 0.0039526 k( 60) = ( -0.3801364 0.3330673 0.5923341), wk = 0.0039526 k( 61) = ( -0.3910331 0.3426147 0.5778464), wk = 0.0039526 k( 62) = ( -0.4019298 0.3521622 0.5633588), wk = 0.0039526 k( 63) = ( -0.4128265 0.3617096 0.5488712), wk = 0.0039526 k( 64) = ( -0.4128265 0.3617096 0.5488712), wk = 0.0039526 k( 65) = ( -0.4016690 0.3519337 0.5340368), wk = 0.0039526 k( 66) = ( -0.3905115 0.3421577 0.5192024), wk = 0.0039526 k( 67) = ( -0.3793541 0.3323818 0.5043681), wk = 0.0039526 k( 68) = ( -0.3681966 0.3226059 0.4895337), wk = 0.0039526 k( 69) = ( -0.3570391 0.3128299 0.4746994), wk = 0.0039526 k( 70) = ( -0.3458816 0.3030540 0.4598650), wk = 0.0039526 k( 71) = ( -0.3347242 0.2932781 0.4450307), wk = 0.0039526 k( 72) = ( -0.3235667 0.2835021 0.4301963), wk = 0.0039526 k( 73) = ( -0.3124092 0.2737262 0.4153620), wk = 0.0039526 k( 74) = ( -0.3012518 0.2639502 0.4005276), wk = 0.0039526 k( 75) = ( -0.2900943 0.2541743 0.3856932), wk = 0.0039526 k( 76) = ( -0.2789368 0.2443984 0.3708589), wk = 0.0039526 k( 77) = ( -0.2677793 0.2346224 0.3560245), wk = 0.0039526 k( 78) = ( -0.2566219 0.2248465 0.3411902), wk = 0.0039526 k( 79) = ( -0.2454644 0.2150706 0.3263558), wk = 0.0039526 k( 80) = ( -0.2343069 0.2052946 0.3115215), wk = 0.0039526 k( 81) = ( -0.2231494 0.1955187 0.2966871), wk = 0.0039526 k( 82) = ( -0.2119920 0.1857428 0.2818528), wk = 0.0039526 k( 83) = ( -0.2008345 0.1759668 0.2670184), wk = 0.0039526 k( 84) = ( -0.1896770 0.1661909 0.2521840), wk = 0.0039526 k( 85) = ( -0.1785196 0.1564150 0.2373497), wk = 0.0039526 k( 86) = ( -0.1673621 0.1466390 0.2225153), wk = 0.0039526 k( 87) = ( -0.1562046 0.1368631 0.2076810), wk = 0.0039526 k( 88) = ( -0.1450471 0.1270872 0.1928466), wk = 0.0039526 k( 89) = ( -0.1338897 0.1173112 0.1780123), wk = 0.0039526 k( 90) = ( -0.1227322 0.1075353 0.1631779), wk = 0.0039526 k( 91) = ( -0.1115747 0.0977594 0.1483436), wk = 0.0039526 k( 92) = ( -0.1004172 0.0879834 0.1335092), wk = 0.0039526 k( 93) = ( -0.0892598 0.0782075 0.1186748), wk = 0.0039526 k( 94) = ( -0.0781023 0.0684315 0.1038405), wk = 0.0039526 k( 95) = ( -0.0669448 0.0586556 0.0890061), wk = 0.0039526 k( 96) = ( -0.0557874 0.0488797 0.0741718), wk = 0.0039526 k( 97) = ( -0.0446299 0.0391037 0.0593374), wk = 0.0039526 k( 98) = ( -0.0334724 0.0293278 0.0445031), wk = 0.0039526 k( 99) = ( -0.0223150 0.0195519 0.0296687), wk = 0.0039526 k( 100) = ( -0.0111575 0.0097759 0.0148344), wk = 0.0039526 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 103) = ( 0.0138889 0.0158517 -0.0000000), wk = 0.0039526 k( 104) = ( 0.0277778 0.0317033 -0.0000000), wk = 0.0039526 k( 105) = ( 0.0416667 0.0475550 -0.0000000), wk = 0.0039526 k( 106) = ( 0.0555556 0.0634067 -0.0000000), wk = 0.0039526 k( 107) = ( 0.0694444 0.0792583 -0.0000000), wk = 0.0039526 k( 108) = ( 0.0833333 0.0951100 -0.0000000), wk = 0.0039526 k( 109) = ( 0.0972222 0.1109617 -0.0000000), wk = 0.0039526 k( 110) = ( 0.1111111 0.1268134 -0.0000000), wk = 0.0039526 k( 111) = ( 0.1250000 0.1426650 -0.0000000), wk = 0.0039526 k( 112) = ( 0.1388889 0.1585167 -0.0000000), wk = 0.0039526 k( 113) = ( 0.1527778 0.1743684 -0.0000000), wk = 0.0039526 k( 114) = ( 0.1666667 0.1902200 -0.0000000), wk = 0.0039526 k( 115) = ( 0.1805556 0.2060717 -0.0000000), wk = 0.0039526 k( 116) = ( 0.1944444 0.2219234 -0.0000000), wk = 0.0039526 k( 117) = ( 0.2083333 0.2377750 -0.0000000), wk = 0.0039526 k( 118) = ( 0.2222222 0.2536267 -0.0000000), wk = 0.0039526 k( 119) = ( 0.2361111 0.2694784 -0.0000000), wk = 0.0039526 k( 120) = ( 0.2500000 0.2853301 -0.0000000), wk = 0.0039526 k( 121) = ( 0.2638889 0.3011817 -0.0000000), wk = 0.0039526 k( 122) = ( 0.2777778 0.3170334 -0.0000000), wk = 0.0039526 k( 123) = ( 0.2916667 0.3328851 -0.0000000), wk = 0.0039526 k( 124) = ( 0.3055556 0.3487367 -0.0000000), wk = 0.0039526 k( 125) = ( 0.3194444 0.3645884 -0.0000000), wk = 0.0039526 k( 126) = ( 0.3333333 0.3804401 -0.0000000), wk = 0.0039526 k( 127) = ( 0.3472222 0.3962918 -0.0000000), wk = 0.0039526 k( 128) = ( 0.3611111 0.4121434 -0.0000000), wk = 0.0039526 k( 129) = ( 0.3750000 0.4279951 -0.0000000), wk = 0.0039526 k( 130) = ( 0.3888889 0.4438468 -0.0000000), wk = 0.0039526 k( 131) = ( 0.4027778 0.4596984 -0.0000000), wk = 0.0039526 k( 132) = ( 0.4166667 0.4755501 -0.0000000), wk = 0.0039526 k( 133) = ( 0.4305556 0.4914018 -0.0000000), wk = 0.0039526 k( 134) = ( 0.4444444 0.5072534 -0.0000000), wk = 0.0039526 k( 135) = ( 0.4583333 0.5231051 -0.0000000), wk = 0.0039526 k( 136) = ( 0.4722222 0.5389568 -0.0000000), wk = 0.0039526 k( 137) = ( 0.4861111 0.5548085 -0.0000000), wk = 0.0039526 k( 138) = ( 0.5000000 0.5706601 -0.0000000), wk = 0.0039526 k( 139) = ( 0.5000000 0.5706601 -0.0000000), wk = 0.0039526 k( 140) = ( 0.4891033 0.5802076 0.0144876), wk = 0.0039526 k( 141) = ( 0.4782066 0.5897550 0.0289753), wk = 0.0039526 k( 142) = ( 0.4673099 0.5993025 0.0434629), wk = 0.0039526 k( 143) = ( 0.4564132 0.6088499 0.0579505), wk = 0.0039526 k( 144) = ( 0.4455166 0.6183973 0.0724382), wk = 0.0039526 k( 145) = ( 0.4346199 0.6279448 0.0869258), wk = 0.0039526 k( 146) = ( 0.4237232 0.6374922 0.1014134), wk = 0.0039526 k( 147) = ( 0.4128265 0.6470397 0.1159011), wk = 0.0039526 k( 148) = ( 0.4128265 0.6470397 0.1159011), wk = 0.0039526 k( 149) = ( 0.3948775 0.6408368 0.1253135), wk = 0.0039526 k( 150) = ( 0.3769285 0.6346340 0.1347258), wk = 0.0039526 k( 151) = ( 0.3589796 0.6284312 0.1441382), wk = 0.0039526 k( 152) = ( 0.3410306 0.6222284 0.1535506), wk = 0.0039526 k( 153) = ( 0.3230816 0.6160255 0.1629630), wk = 0.0039526 k( 154) = ( 0.3051326 0.6098227 0.1723754), wk = 0.0039526 k( 155) = ( 0.2871836 0.6036199 0.1817878), wk = 0.0039526 k( 156) = ( 0.2692347 0.5974170 0.1912002), wk = 0.0039526 k( 157) = ( 0.2512857 0.5912142 0.2006126), wk = 0.0039526 k( 158) = ( 0.2333367 0.5850114 0.2100250), wk = 0.0039526 k( 159) = ( 0.2153877 0.5788086 0.2194374), wk = 0.0039526 k( 160) = ( 0.1974388 0.5726057 0.2288498), wk = 0.0039526 k( 161) = ( 0.1794898 0.5664029 0.2382622), wk = 0.0039526 k( 162) = ( 0.1615408 0.5602001 0.2476746), wk = 0.0039526 k( 163) = ( 0.1435918 0.5539972 0.2570870), wk = 0.0039526 k( 164) = ( 0.1256428 0.5477944 0.2664994), wk = 0.0039526 k( 165) = ( 0.1076939 0.5415916 0.2759117), wk = 0.0039526 k( 166) = ( 0.0897449 0.5353888 0.2853241), wk = 0.0039526 k( 167) = ( 0.0717959 0.5291859 0.2947365), wk = 0.0039526 k( 168) = ( 0.0538469 0.5229831 0.3041489), wk = 0.0039526 k( 169) = ( 0.0358980 0.5167803 0.3135613), wk = 0.0039526 k( 170) = ( 0.0179490 0.5105775 0.3229737), wk = 0.0039526 k( 171) = ( 0.0000000 0.5043746 0.3323861), wk = 0.0039526 k( 172) = ( 0.0000000 0.5043746 0.3323861), wk = 0.0039526 k( 173) = ( 0.0113636 0.4944181 0.3474946), wk = 0.0039526 k( 174) = ( 0.0227273 0.4844615 0.3626030), wk = 0.0039526 k( 175) = ( 0.0340909 0.4745049 0.3777115), wk = 0.0039526 k( 176) = ( 0.0454546 0.4645483 0.3928199), wk = 0.0039526 k( 177) = ( 0.0568182 0.4545918 0.4079284), wk = 0.0039526 k( 178) = ( 0.0681818 0.4446352 0.4230369), wk = 0.0039526 k( 179) = ( 0.0795455 0.4346786 0.4381453), wk = 0.0039526 k( 180) = ( 0.0909091 0.4247221 0.4532538), wk = 0.0039526 k( 181) = ( 0.1022727 0.4147655 0.4683622), wk = 0.0039526 k( 182) = ( 0.1136364 0.4048089 0.4834707), wk = 0.0039526 k( 183) = ( 0.1250000 0.3948523 0.4985792), wk = 0.0039526 k( 184) = ( 0.1363636 0.3848958 0.5136876), wk = 0.0039526 k( 185) = ( 0.1477273 0.3749392 0.5287961), wk = 0.0039526 k( 186) = ( 0.1590909 0.3649826 0.5439045), wk = 0.0039526 k( 187) = ( 0.1704546 0.3550261 0.5590130), wk = 0.0039526 k( 188) = ( 0.1818182 0.3450695 0.5741215), wk = 0.0039526 k( 189) = ( 0.1931818 0.3351129 0.5892299), wk = 0.0039526 k( 190) = ( 0.2045454 0.3251564 0.6043384), wk = 0.0039526 k( 191) = ( 0.2159091 0.3151998 0.6194468), wk = 0.0039526 k( 192) = ( 0.2272727 0.3052432 0.6345553), wk = 0.0039526 k( 193) = ( 0.2386364 0.2952866 0.6496637), wk = 0.0039526 k( 194) = ( 0.2500000 0.2853301 0.6647722), wk = 0.0039526 k( 195) = ( 0.2500000 0.2853301 0.6647722), wk = 0.0039526 k( 196) = ( 0.2592593 0.2958978 0.6487363), wk = 0.0039526 k( 197) = ( 0.2685185 0.3064656 0.6327004), wk = 0.0039526 k( 198) = ( 0.2777778 0.3170334 0.6166644), wk = 0.0039526 k( 199) = ( 0.2870370 0.3276012 0.6006285), wk = 0.0039526 k( 200) = ( 0.2962963 0.3381690 0.5845926), wk = 0.0039526 k( 201) = ( 0.3055556 0.3487367 0.5685566), wk = 0.0039526 k( 202) = ( 0.3148148 0.3593045 0.5525207), wk = 0.0039526 k( 203) = ( 0.3240741 0.3698723 0.5364848), wk = 0.0039526 k( 204) = ( 0.3333333 0.3804401 0.5204488), wk = 0.0039526 k( 205) = ( 0.3425926 0.3910079 0.5044129), wk = 0.0039526 k( 206) = ( 0.3518519 0.4015756 0.4883770), wk = 0.0039526 k( 207) = ( 0.3611111 0.4121434 0.4723410), wk = 0.0039526 k( 208) = ( 0.3703704 0.4227112 0.4563051), wk = 0.0039526 k( 209) = ( 0.3796296 0.4332790 0.4402692), wk = 0.0039526 k( 210) = ( 0.3888889 0.4438468 0.4242333), wk = 0.0039526 k( 211) = ( 0.3981481 0.4544145 0.4081973), wk = 0.0039526 k( 212) = ( 0.4074074 0.4649823 0.3921614), wk = 0.0039526 k( 213) = ( 0.4166667 0.4755501 0.3761255), wk = 0.0039526 k( 214) = ( 0.4259259 0.4861179 0.3600896), wk = 0.0039526 k( 215) = ( 0.4351852 0.4966857 0.3440536), wk = 0.0039526 k( 216) = ( 0.4444444 0.5072534 0.3280177), wk = 0.0039526 k( 217) = ( 0.4537037 0.5178212 0.3119817), wk = 0.0039526 k( 218) = ( 0.4629630 0.5283890 0.2959458), wk = 0.0039526 k( 219) = ( 0.4722222 0.5389568 0.2799099), wk = 0.0039526 k( 220) = ( 0.4814815 0.5495246 0.2638740), wk = 0.0039526 k( 221) = ( 0.4907407 0.5600923 0.2478380), wk = 0.0039526 k( 222) = ( 0.5000000 0.5706601 0.2318021), wk = 0.0039526 k( 223) = ( 0.5000000 0.5706601 0.2318021), wk = 0.0039526 k( 224) = ( 0.5000000 0.5706601 0.2107292), wk = 0.0039526 k( 225) = ( 0.5000000 0.5706601 0.1896563), wk = 0.0039526 k( 226) = ( 0.5000000 0.5706601 0.1685833), wk = 0.0039526 k( 227) = ( 0.5000000 0.5706601 0.1475104), wk = 0.0039526 k( 228) = ( 0.5000000 0.5706601 0.1264375), wk = 0.0039526 k( 229) = ( 0.5000000 0.5706601 0.1053646), wk = 0.0039526 k( 230) = ( 0.5000000 0.5706601 0.0842917), wk = 0.0039526 k( 231) = ( 0.5000000 0.5706601 0.0632188), wk = 0.0039526 k( 232) = ( 0.5000000 0.5706601 0.0421458), wk = 0.0039526 k( 233) = ( 0.5000000 0.5706601 0.0210729), wk = 0.0039526 k( 234) = ( 0.5000000 0.5706601 -0.0000000), wk = 0.0039526 k( 235) = ( 0.0000000 0.0000000 0.6647722), wk = 0.0039526 k( 236) = ( 0.0138889 0.0158517 0.6647722), wk = 0.0039526 k( 237) = ( 0.0277778 0.0317033 0.6647722), wk = 0.0039526 k( 238) = ( 0.0416667 0.0475550 0.6647722), wk = 0.0039526 k( 239) = ( 0.0555556 0.0634067 0.6647722), wk = 0.0039526 k( 240) = ( 0.0694444 0.0792583 0.6647722), wk = 0.0039526 k( 241) = ( 0.0833333 0.0951100 0.6647722), wk = 0.0039526 k( 242) = ( 0.0972222 0.1109617 0.6647722), wk = 0.0039526 k( 243) = ( 0.1111111 0.1268134 0.6647722), wk = 0.0039526 k( 244) = ( 0.1250000 0.1426650 0.6647722), wk = 0.0039526 k( 245) = ( 0.1388889 0.1585167 0.6647722), wk = 0.0039526 k( 246) = ( 0.1527778 0.1743684 0.6647722), wk = 0.0039526 k( 247) = ( 0.1666667 0.1902200 0.6647722), wk = 0.0039526 k( 248) = ( 0.1805556 0.2060717 0.6647722), wk = 0.0039526 k( 249) = ( 0.1944444 0.2219234 0.6647722), wk = 0.0039526 k( 250) = ( 0.2083333 0.2377750 0.6647722), wk = 0.0039526 k( 251) = ( 0.2222222 0.2536267 0.6647722), wk = 0.0039526 k( 252) = ( 0.2361111 0.2694784 0.6647722), wk = 0.0039526 k( 253) = ( 0.2500000 0.2853301 0.6647722), wk = 0.0039526 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 2) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0039526 k( 3) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0039526 k( 4) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0039526 k( 5) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0039526 k( 6) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0039526 k( 7) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0039526 k( 8) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0039526 k( 9) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0039526 k( 10) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0039526 k( 11) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0039526 k( 12) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0039526 k( 13) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0039526 k( 14) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0039526 k( 15) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0039526 k( 16) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0039526 k( 17) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0039526 k( 18) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0039526 k( 19) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0039526 k( 20) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0039526 k( 21) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0039526 k( 22) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0039526 k( 23) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0039526 k( 24) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0039526 k( 25) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0039526 k( 26) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0039526 k( 27) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0039526 k( 28) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0039526 k( 29) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0039526 k( 30) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0039526 k( 31) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0039526 k( 32) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039526 k( 33) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039526 k( 34) = ( -0.0155073 0.0155073 0.5000000), wk = 0.0039526 k( 35) = ( -0.0310146 0.0310146 0.5000000), wk = 0.0039526 k( 36) = ( -0.0465218 0.0465218 0.5000000), wk = 0.0039526 k( 37) = ( -0.0620291 0.0620291 0.5000000), wk = 0.0039526 k( 38) = ( -0.0775364 0.0775364 0.5000000), wk = 0.0039526 k( 39) = ( -0.0930437 0.0930437 0.5000000), wk = 0.0039526 k( 40) = ( -0.1085510 0.1085510 0.5000000), wk = 0.0039526 k( 41) = ( -0.1240583 0.1240583 0.5000000), wk = 0.0039526 k( 42) = ( -0.1395656 0.1395656 0.5000000), wk = 0.0039526 k( 43) = ( -0.1550729 0.1550728 0.5000000), wk = 0.0039526 k( 44) = ( -0.1705801 0.1705801 0.5000000), wk = 0.0039526 k( 45) = ( -0.1860874 0.1860874 0.5000000), wk = 0.0039526 k( 46) = ( -0.2015947 0.2015947 0.5000000), wk = 0.0039526 k( 47) = ( -0.2171020 0.2171020 0.5000000), wk = 0.0039526 k( 48) = ( -0.2326093 0.2326093 0.5000000), wk = 0.0039526 k( 49) = ( -0.2481166 0.2481166 0.5000000), wk = 0.0039526 k( 50) = ( -0.2636238 0.2636238 0.5000000), wk = 0.0039526 k( 51) = ( -0.2791311 0.2791311 0.5000000), wk = 0.0039526 k( 52) = ( -0.2946384 0.2946384 0.5000000), wk = 0.0039526 k( 53) = ( -0.3101457 0.3101457 0.5000000), wk = 0.0039526 k( 54) = ( -0.3256530 0.3256530 0.5000000), wk = 0.0039526 k( 55) = ( -0.3256530 0.3256530 0.5000000), wk = 0.0039526 k( 56) = ( -0.3365497 0.3365497 0.4891033), wk = 0.0039526 k( 57) = ( -0.3474464 0.3474464 0.4782066), wk = 0.0039526 k( 58) = ( -0.3583430 0.3583430 0.4673099), wk = 0.0039526 k( 59) = ( -0.3692397 0.3692397 0.4564132), wk = 0.0039526 k( 60) = ( -0.3801364 0.3801364 0.4455166), wk = 0.0039526 k( 61) = ( -0.3910331 0.3910331 0.4346199), wk = 0.0039526 k( 62) = ( -0.4019298 0.4019298 0.4237232), wk = 0.0039526 k( 63) = ( -0.4128265 0.4128265 0.4128265), wk = 0.0039526 k( 64) = ( -0.4128265 0.4128265 0.4128265), wk = 0.0039526 k( 65) = ( -0.4016690 0.4016690 0.4016690), wk = 0.0039526 k( 66) = ( -0.3905115 0.3905115 0.3905115), wk = 0.0039526 k( 67) = ( -0.3793541 0.3793541 0.3793541), wk = 0.0039526 k( 68) = ( -0.3681966 0.3681966 0.3681966), wk = 0.0039526 k( 69) = ( -0.3570391 0.3570391 0.3570391), wk = 0.0039526 k( 70) = ( -0.3458816 0.3458816 0.3458816), wk = 0.0039526 k( 71) = ( -0.3347242 0.3347242 0.3347242), wk = 0.0039526 k( 72) = ( -0.3235667 0.3235667 0.3235667), wk = 0.0039526 k( 73) = ( -0.3124092 0.3124092 0.3124092), wk = 0.0039526 k( 74) = ( -0.3012518 0.3012518 0.3012518), wk = 0.0039526 k( 75) = ( -0.2900943 0.2900943 0.2900943), wk = 0.0039526 k( 76) = ( -0.2789368 0.2789368 0.2789368), wk = 0.0039526 k( 77) = ( -0.2677793 0.2677793 0.2677793), wk = 0.0039526 k( 78) = ( -0.2566219 0.2566219 0.2566219), wk = 0.0039526 k( 79) = ( -0.2454644 0.2454644 0.2454644), wk = 0.0039526 k( 80) = ( -0.2343069 0.2343069 0.2343069), wk = 0.0039526 k( 81) = ( -0.2231494 0.2231494 0.2231494), wk = 0.0039526 k( 82) = ( -0.2119920 0.2119920 0.2119920), wk = 0.0039526 k( 83) = ( -0.2008345 0.2008345 0.2008345), wk = 0.0039526 k( 84) = ( -0.1896770 0.1896770 0.1896770), wk = 0.0039526 k( 85) = ( -0.1785196 0.1785196 0.1785196), wk = 0.0039526 k( 86) = ( -0.1673621 0.1673621 0.1673621), wk = 0.0039526 k( 87) = ( -0.1562046 0.1562046 0.1562046), wk = 0.0039526 k( 88) = ( -0.1450471 0.1450471 0.1450471), wk = 0.0039526 k( 89) = ( -0.1338897 0.1338897 0.1338897), wk = 0.0039526 k( 90) = ( -0.1227322 0.1227322 0.1227322), wk = 0.0039526 k( 91) = ( -0.1115747 0.1115747 0.1115747), wk = 0.0039526 k( 92) = ( -0.1004172 0.1004172 0.1004173), wk = 0.0039526 k( 93) = ( -0.0892598 0.0892598 0.0892598), wk = 0.0039526 k( 94) = ( -0.0781023 0.0781023 0.0781023), wk = 0.0039526 k( 95) = ( -0.0669448 0.0669448 0.0669448), wk = 0.0039526 k( 96) = ( -0.0557874 0.0557874 0.0557874), wk = 0.0039526 k( 97) = ( -0.0446299 0.0446299 0.0446299), wk = 0.0039526 k( 98) = ( -0.0334724 0.0334724 0.0334724), wk = 0.0039526 k( 99) = ( -0.0223150 0.0223149 0.0223150), wk = 0.0039526 k( 100) = ( -0.0111575 0.0111575 0.0111575), wk = 0.0039526 k( 101) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 102) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039526 k( 103) = ( 0.0138889 0.0138889 -0.0138889), wk = 0.0039526 k( 104) = ( 0.0277778 0.0277778 -0.0277778), wk = 0.0039526 k( 105) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0039526 k( 106) = ( 0.0555556 0.0555556 -0.0555556), wk = 0.0039526 k( 107) = ( 0.0694444 0.0694444 -0.0694444), wk = 0.0039526 k( 108) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0039526 k( 109) = ( 0.0972222 0.0972222 -0.0972222), wk = 0.0039526 k( 110) = ( 0.1111111 0.1111111 -0.1111111), wk = 0.0039526 k( 111) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0039526 k( 112) = ( 0.1388889 0.1388889 -0.1388889), wk = 0.0039526 k( 113) = ( 0.1527778 0.1527778 -0.1527778), wk = 0.0039526 k( 114) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0039526 k( 115) = ( 0.1805556 0.1805556 -0.1805556), wk = 0.0039526 k( 116) = ( 0.1944444 0.1944444 -0.1944444), wk = 0.0039526 k( 117) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0039526 k( 118) = ( 0.2222222 0.2222222 -0.2222222), wk = 0.0039526 k( 119) = ( 0.2361111 0.2361111 -0.2361111), wk = 0.0039526 k( 120) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0039526 k( 121) = ( 0.2638889 0.2638889 -0.2638889), wk = 0.0039526 k( 122) = ( 0.2777778 0.2777778 -0.2777778), wk = 0.0039526 k( 123) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0039526 k( 124) = ( 0.3055556 0.3055556 -0.3055556), wk = 0.0039526 k( 125) = ( 0.3194444 0.3194444 -0.3194444), wk = 0.0039526 k( 126) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0039526 k( 127) = ( 0.3472222 0.3472222 -0.3472222), wk = 0.0039526 k( 128) = ( 0.3611111 0.3611111 -0.3611111), wk = 0.0039526 k( 129) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0039526 k( 130) = ( 0.3888889 0.3888889 -0.3888889), wk = 0.0039526 k( 131) = ( 0.4027778 0.4027778 -0.4027778), wk = 0.0039526 k( 132) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0039526 k( 133) = ( 0.4305556 0.4305556 -0.4305556), wk = 0.0039526 k( 134) = ( 0.4444444 0.4444444 -0.4444444), wk = 0.0039526 k( 135) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0039526 k( 136) = ( 0.4722222 0.4722222 -0.4722222), wk = 0.0039526 k( 137) = ( 0.4861111 0.4861111 -0.4861111), wk = 0.0039526 k( 138) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039526 k( 139) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039526 k( 140) = ( 0.4891033 0.5108967 -0.4891033), wk = 0.0039526 k( 141) = ( 0.4782066 0.5217934 -0.4782066), wk = 0.0039526 k( 142) = ( 0.4673099 0.5326901 -0.4673099), wk = 0.0039526 k( 143) = ( 0.4564132 0.5435868 -0.4564132), wk = 0.0039526 k( 144) = ( 0.4455166 0.5544834 -0.4455166), wk = 0.0039526 k( 145) = ( 0.4346199 0.5653801 -0.4346199), wk = 0.0039526 k( 146) = ( 0.4237232 0.5762768 -0.4237232), wk = 0.0039526 k( 147) = ( 0.4128265 0.5871735 -0.4128265), wk = 0.0039526 k( 148) = ( 0.4128265 0.5871735 -0.4128265), wk = 0.0039526 k( 149) = ( 0.3948775 0.5833834 -0.3948775), wk = 0.0039526 k( 150) = ( 0.3769285 0.5795932 -0.3769285), wk = 0.0039526 k( 151) = ( 0.3589796 0.5758030 -0.3589796), wk = 0.0039526 k( 152) = ( 0.3410306 0.5720129 -0.3410306), wk = 0.0039526 k( 153) = ( 0.3230816 0.5682227 -0.3230816), wk = 0.0039526 k( 154) = ( 0.3051326 0.5644326 -0.3051326), wk = 0.0039526 k( 155) = ( 0.2871836 0.5606424 -0.2871836), wk = 0.0039526 k( 156) = ( 0.2692347 0.5568523 -0.2692347), wk = 0.0039526 k( 157) = ( 0.2512857 0.5530621 -0.2512857), wk = 0.0039526 k( 158) = ( 0.2333367 0.5492720 -0.2333367), wk = 0.0039526 k( 159) = ( 0.2153877 0.5454818 -0.2153877), wk = 0.0039526 k( 160) = ( 0.1974388 0.5416917 -0.1974388), wk = 0.0039526 k( 161) = ( 0.1794898 0.5379015 -0.1794898), wk = 0.0039526 k( 162) = ( 0.1615408 0.5341114 -0.1615408), wk = 0.0039526 k( 163) = ( 0.1435918 0.5303212 -0.1435918), wk = 0.0039526 k( 164) = ( 0.1256428 0.5265311 -0.1256428), wk = 0.0039526 k( 165) = ( 0.1076939 0.5227409 -0.1076939), wk = 0.0039526 k( 166) = ( 0.0897449 0.5189508 -0.0897449), wk = 0.0039526 k( 167) = ( 0.0717959 0.5151606 -0.0717959), wk = 0.0039526 k( 168) = ( 0.0538469 0.5113705 -0.0538469), wk = 0.0039526 k( 169) = ( 0.0358980 0.5075803 -0.0358980), wk = 0.0039526 k( 170) = ( 0.0179490 0.5037901 -0.0179490), wk = 0.0039526 k( 171) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 172) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0039526 k( 173) = ( 0.0113636 0.4886364 0.0113636), wk = 0.0039526 k( 174) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0039526 k( 175) = ( 0.0340909 0.4659091 0.0340909), wk = 0.0039526 k( 176) = ( 0.0454546 0.4545454 0.0454545), wk = 0.0039526 k( 177) = ( 0.0568182 0.4431818 0.0568182), wk = 0.0039526 k( 178) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0039526 k( 179) = ( 0.0795455 0.4204545 0.0795455), wk = 0.0039526 k( 180) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0039526 k( 181) = ( 0.1022727 0.3977273 0.1022727), wk = 0.0039526 k( 182) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0039526 k( 183) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0039526 k( 184) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0039526 k( 185) = ( 0.1477273 0.3522727 0.1477273), wk = 0.0039526 k( 186) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0039526 k( 187) = ( 0.1704546 0.3295455 0.1704545), wk = 0.0039526 k( 188) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0039526 k( 189) = ( 0.1931818 0.3068182 0.1931818), wk = 0.0039526 k( 190) = ( 0.2045454 0.2954545 0.2045454), wk = 0.0039526 k( 191) = ( 0.2159091 0.2840909 0.2159091), wk = 0.0039526 k( 192) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0039526 k( 193) = ( 0.2386364 0.2613636 0.2386364), wk = 0.0039526 k( 194) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 195) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 k( 196) = ( 0.2592593 0.2592593 0.2286795), wk = 0.0039526 k( 197) = ( 0.2685185 0.2685185 0.2073590), wk = 0.0039526 k( 198) = ( 0.2777778 0.2777778 0.1860386), wk = 0.0039526 k( 199) = ( 0.2870370 0.2870370 0.1647181), wk = 0.0039526 k( 200) = ( 0.2962963 0.2962963 0.1433976), wk = 0.0039526 k( 201) = ( 0.3055556 0.3055556 0.1220771), wk = 0.0039526 k( 202) = ( 0.3148148 0.3148148 0.1007566), wk = 0.0039526 k( 203) = ( 0.3240741 0.3240741 0.0794361), wk = 0.0039526 k( 204) = ( 0.3333333 0.3333333 0.0581157), wk = 0.0039526 k( 205) = ( 0.3425926 0.3425926 0.0367952), wk = 0.0039526 k( 206) = ( 0.3518519 0.3518518 0.0154747), wk = 0.0039526 k( 207) = ( 0.3611111 0.3611111 -0.0058458), wk = 0.0039526 k( 208) = ( 0.3703704 0.3703704 -0.0271662), wk = 0.0039526 k( 209) = ( 0.3796296 0.3796296 -0.0484867), wk = 0.0039526 k( 210) = ( 0.3888889 0.3888889 -0.0698072), wk = 0.0039526 k( 211) = ( 0.3981481 0.3981481 -0.0911277), wk = 0.0039526 k( 212) = ( 0.4074074 0.4074074 -0.1124482), wk = 0.0039526 k( 213) = ( 0.4166667 0.4166667 -0.1337686), wk = 0.0039526 k( 214) = ( 0.4259259 0.4259259 -0.1550891), wk = 0.0039526 k( 215) = ( 0.4351852 0.4351852 -0.1764096), wk = 0.0039526 k( 216) = ( 0.4444444 0.4444444 -0.1977301), wk = 0.0039526 k( 217) = ( 0.4537037 0.4537037 -0.2190506), wk = 0.0039526 k( 218) = ( 0.4629630 0.4629630 -0.2403711), wk = 0.0039526 k( 219) = ( 0.4722222 0.4722222 -0.2616915), wk = 0.0039526 k( 220) = ( 0.4814815 0.4814815 -0.2830120), wk = 0.0039526 k( 221) = ( 0.4907407 0.4907407 -0.3043325), wk = 0.0039526 k( 222) = ( 0.5000000 0.5000000 -0.3256530), wk = 0.0039526 k( 223) = ( 0.5000000 0.5000000 -0.3256530), wk = 0.0039526 k( 224) = ( 0.5000000 0.5000000 -0.3415027), wk = 0.0039526 k( 225) = ( 0.5000000 0.5000000 -0.3573524), wk = 0.0039526 k( 226) = ( 0.5000000 0.5000000 -0.3732022), wk = 0.0039526 k( 227) = ( 0.5000000 0.5000000 -0.3890519), wk = 0.0039526 k( 228) = ( 0.5000000 0.5000000 -0.4049016), wk = 0.0039526 k( 229) = ( 0.5000000 0.5000000 -0.4207514), wk = 0.0039526 k( 230) = ( 0.5000000 0.5000000 -0.4366011), wk = 0.0039526 k( 231) = ( 0.5000000 0.5000000 -0.4524508), wk = 0.0039526 k( 232) = ( 0.5000000 0.5000000 -0.4683005), wk = 0.0039526 k( 233) = ( 0.5000000 0.5000000 -0.4841503), wk = 0.0039526 k( 234) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0039526 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039526 k( 236) = ( 0.0138889 0.0138889 0.4861111), wk = 0.0039526 k( 237) = ( 0.0277778 0.0277778 0.4722222), wk = 0.0039526 k( 238) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0039526 k( 239) = ( 0.0555556 0.0555556 0.4444444), wk = 0.0039526 k( 240) = ( 0.0694444 0.0694444 0.4305556), wk = 0.0039526 k( 241) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0039526 k( 242) = ( 0.0972222 0.0972222 0.4027778), wk = 0.0039526 k( 243) = ( 0.1111111 0.1111111 0.3888889), wk = 0.0039526 k( 244) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0039526 k( 245) = ( 0.1388889 0.1388889 0.3611111), wk = 0.0039526 k( 246) = ( 0.1527778 0.1527778 0.3472222), wk = 0.0039526 k( 247) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0039526 k( 248) = ( 0.1805556 0.1805556 0.3194444), wk = 0.0039526 k( 249) = ( 0.1944444 0.1944444 0.3055556), wk = 0.0039526 k( 250) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0039526 k( 251) = ( 0.2222222 0.2222222 0.2777778), wk = 0.0039526 k( 252) = ( 0.2361111 0.2361111 0.2638889), wk = 0.0039526 k( 253) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0039526 Dense grid: 70101 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 48909 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 184, 52) NL pseudopotentials 0.29 Mb ( 92, 206) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 974) G-vector shells 0.00 Mb ( 477) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.58 Mb ( 184, 208) Each subspace H/S matrix 0.02 Mb ( 34, 34) Each matrix 0.33 Mb ( 206, 2, 52) The potential is recalculated from file : ./BaTe2.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 6.3 secs Computing kpt #: 2 total cpu time spent up to now is 10.5 secs Computing kpt #: 3 total cpu time spent up to now is 13.9 secs Computing kpt #: 4 total cpu time spent up to now is 18.3 secs Computing kpt #: 5 total cpu time spent up to now is 24.2 secs Computing kpt #: 6 total cpu time spent up to now is 31.3 secs Computing kpt #: 7 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.6 secs Computing kpt #: 8 total cpu time spent up to now is 44.0 secs Computing kpt #: 9 total cpu time spent up to now is 49.1 secs Computing kpt #: 10 total cpu time spent up to now is 54.3 secs Computing kpt #: 11 total cpu time spent up to now is 59.4 secs Computing kpt #: 12 total cpu time spent up to now is 65.1 secs Computing kpt #: 13 total cpu time spent up to now is 70.6 secs Computing kpt #: 14 total cpu time spent up to now is 76.5 secs Computing kpt #: 15 total cpu time spent up to now is 82.7 secs Computing kpt #: 16 total cpu time spent up to now is 88.2 secs Computing kpt #: 17 total cpu time spent up to now is 93.3 secs Computing kpt #: 18 total cpu time spent up to now is 97.7 secs Computing kpt #: 19 total cpu time spent up to now is 102.1 secs Computing kpt #: 20 total cpu time spent up to now is 105.5 secs Computing kpt #: 21 total cpu time spent up to now is 108.8 secs Computing kpt #: 22 total cpu time spent up to now is 112.8 secs Computing kpt #: 23 total cpu time spent up to now is 116.1 secs Computing kpt #: 24 total cpu time spent up to now is 119.3 secs Computing kpt #: 25 total cpu time spent up to now is 122.6 secs Computing kpt #: 26 total cpu time spent up to now is 125.5 secs Computing kpt #: 27 total cpu time spent up to now is 128.7 secs Computing kpt #: 28 total cpu time spent up to now is 132.0 secs Computing kpt #: 29 total cpu time spent up to now is 135.5 secs Computing kpt #: 30 total cpu time spent up to now is 138.8 secs Computing kpt #: 31 total cpu time spent up to now is 142.0 secs Computing kpt #: 32 total cpu time spent up to now is 145.3 secs Computing kpt #: 33 total cpu time spent up to now is 148.8 secs Computing kpt #: 34 total cpu time spent up to now is 152.0 secs Computing kpt #: 35 total cpu time spent up to now is 155.3 secs Computing kpt #: 36 total cpu time spent up to now is 158.6 secs Computing kpt #: 37 total cpu time spent up to now is 161.6 secs Computing kpt #: 38 total cpu time spent up to now is 164.8 secs Computing kpt #: 39 total cpu time spent up to now is 168.1 secs Computing kpt #: 40 total cpu time spent up to now is 171.4 secs Computing kpt #: 41 total cpu time spent up to now is 175.2 secs Computing kpt #: 42 total cpu time spent up to now is 178.6 secs Computing kpt #: 43 total cpu time spent up to now is 181.8 secs Computing kpt #: 44 total cpu time spent up to now is 185.2 secs Computing kpt #: 45 total cpu time spent up to now is 188.8 secs Computing kpt #: 46 total cpu time spent up to now is 192.9 secs Computing kpt #: 47 total cpu time spent up to now is 197.1 secs Computing kpt #: 48 total cpu time spent up to now is 201.6 secs Computing kpt #: 49 total cpu time spent up to now is 205.2 secs Computing kpt #: 50 total cpu time spent up to now is 209.3 secs Computing kpt #: 51 total cpu time spent up to now is 212.9 secs Computing kpt #: 52 total cpu time spent up to now is 215.8 secs Computing kpt #: 53 total cpu time spent up to now is 218.9 secs Computing kpt #: 54 total cpu time spent up to now is 223.3 secs Computing kpt #: 55 total cpu time spent up to now is 227.3 secs Computing kpt #: 56 total cpu time spent up to now is 230.1 secs Computing kpt #: 57 total cpu time spent up to now is 232.6 secs Computing kpt #: 58 total cpu time spent up to now is 235.1 secs Computing kpt #: 59 total cpu time spent up to now is 237.5 secs Computing kpt #: 60 total cpu time spent up to now is 240.1 secs Computing kpt #: 61 total cpu time spent up to now is 242.7 secs Computing kpt #: 62 total cpu time spent up to now is 245.4 secs Computing kpt #: 63 total cpu time spent up to now is 247.9 secs Computing kpt #: 64 total cpu time spent up to now is 250.4 secs Computing kpt #: 65 total cpu time spent up to now is 252.9 secs Computing kpt #: 66 total cpu time spent up to now is 255.3 secs Computing kpt #: 67 total cpu time spent up to now is 258.2 secs Computing kpt #: 68 total cpu time spent up to now is 260.9 secs Computing kpt #: 69 total cpu time spent up to now is 264.6 secs Computing kpt #: 70 total cpu time spent up to now is 267.8 secs Computing kpt #: 71 total cpu time spent up to now is 270.4 secs Computing kpt #: 72 total cpu time spent up to now is 272.8 secs Computing kpt #: 73 total cpu time spent up to now is 275.2 secs Computing kpt #: 74 total cpu time spent up to now is 277.6 secs Computing kpt #: 75 total cpu time spent up to now is 279.8 secs Computing kpt #: 76 total cpu time spent up to now is 281.7 secs Computing kpt #: 77 total cpu time spent up to now is 283.9 secs Computing kpt #: 78 total cpu time spent up to now is 286.3 secs Computing kpt #: 79 total cpu time spent up to now is 289.6 secs Computing kpt #: 80 total cpu time spent up to now is 291.7 secs Computing kpt #: 81 total cpu time spent up to now is 293.5 secs Computing kpt #: 82 total cpu time spent up to now is 295.4 secs Computing kpt #: 83 total cpu time spent up to now is 297.2 secs Computing kpt #: 84 total cpu time spent up to now is 299.0 secs Computing kpt #: 85 total cpu time spent up to now is 300.9 secs Computing kpt #: 86 total cpu time spent up to now is 303.0 secs Computing kpt #: 87 total cpu time spent up to now is 305.2 secs Computing kpt #: 88 total cpu time spent up to now is 306.8 secs Computing kpt #: 89 total cpu time spent up to now is 308.4 secs Computing kpt #: 90 total cpu time spent up to now is 310.9 secs Computing kpt #: 91 total cpu time spent up to now is 313.1 secs Computing kpt #: 92 total cpu time spent up to now is 315.7 secs Computing kpt #: 93 total cpu time spent up to now is 318.3 secs Computing kpt #: 94 total cpu time spent up to now is 320.9 secs Computing kpt #: 95 total cpu time spent up to now is 324.1 secs Computing kpt #: 96 total cpu time spent up to now is 327.3 secs Computing kpt #: 97 total cpu time spent up to now is 331.6 secs Computing kpt #: 98 total cpu time spent up to now is 335.6 secs Computing kpt #: 99 total cpu time spent up to now is 339.2 secs Computing kpt #: 100 total cpu time spent up to now is 342.8 secs Computing kpt #: 101 total cpu time spent up to now is 346.2 secs Computing kpt #: 102 total cpu time spent up to now is 349.5 secs Computing kpt #: 103 total cpu time spent up to now is 353.1 secs Computing kpt #: 104 total cpu time spent up to now is 358.7 secs Computing kpt #: 105 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 364.9 secs Computing kpt #: 106 total cpu time spent up to now is 368.3 secs Computing kpt #: 107 total cpu time spent up to now is 371.2 secs Computing kpt #: 108 total cpu time spent up to now is 373.8 secs Computing kpt #: 109 total cpu time spent up to now is 376.7 secs Computing kpt #: 110 total cpu time spent up to now is 379.4 secs Computing kpt #: 111 total cpu time spent up to now is 381.3 secs Computing kpt #: 112 total cpu time spent up to now is 383.5 secs Computing kpt #: 113 total cpu time spent up to now is 385.3 secs Computing kpt #: 114 total cpu time spent up to now is 387.2 secs Computing kpt #: 115 total cpu time spent up to now is 389.0 secs Computing kpt #: 116 total cpu time spent up to now is 391.1 secs Computing kpt #: 117 total cpu time spent up to now is 392.8 secs Computing kpt #: 118 total cpu time spent up to now is 394.7 secs Computing kpt #: 119 total cpu time spent up to now is 396.6 secs Computing kpt #: 120 total cpu time spent up to now is 398.5 secs Computing kpt #: 121 total cpu time spent up to now is 400.7 secs Computing kpt #: 122 total cpu time spent up to now is 403.3 secs Computing kpt #: 123 total cpu time spent up to now is 405.7 secs Computing kpt #: 124 total cpu time spent up to now is 408.3 secs Computing kpt #: 125 total cpu time spent up to now is 411.4 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.2 secs Computing kpt #: 127 total cpu time spent up to now is 422.8 secs Computing kpt #: 128 total cpu time spent up to now is 425.9 secs Computing kpt #: 129 total cpu time spent up to now is 428.6 secs Computing kpt #: 130 total cpu time spent up to now is 431.5 secs Computing kpt #: 131 total cpu time spent up to now is 434.3 secs Computing kpt #: 132 total cpu time spent up to now is 437.3 secs Computing kpt #: 133 total cpu time spent up to now is 439.8 secs Computing kpt #: 134 total cpu time spent up to now is 442.5 secs Computing kpt #: 135 total cpu time spent up to now is 445.3 secs Computing kpt #: 136 total cpu time spent up to now is 448.0 secs Computing kpt #: 137 total cpu time spent up to now is 450.7 secs Computing kpt #: 138 total cpu time spent up to now is 453.4 secs Computing kpt #: 139 total cpu time spent up to now is 456.1 secs Computing kpt #: 140 total cpu time spent up to now is 458.5 secs Computing kpt #: 141 total cpu time spent up to now is 461.2 secs Computing kpt #: 142 total cpu time spent up to now is 464.1 secs Computing kpt #: 143 total cpu time spent up to now is 466.9 secs Computing kpt #: 144 total cpu time spent up to now is 469.5 secs Computing kpt #: 145 total cpu time spent up to now is 472.3 secs Computing kpt #: 146 total cpu time spent up to now is 475.2 secs Computing kpt #: 147 total cpu time spent up to now is 477.8 secs Computing kpt #: 148 total cpu time spent up to now is 480.5 secs Computing kpt #: 149 total cpu time spent up to now is 483.7 secs Computing kpt #: 150 total cpu time spent up to now is 486.3 secs Computing kpt #: 151 total cpu time spent up to now is 489.3 secs Computing kpt #: 152 total cpu time spent up to now is 492.2 secs Computing kpt #: 153 total cpu time spent up to now is 495.3 secs Computing kpt #: 154 total cpu time spent up to now is 498.2 secs Computing kpt #: 155 total cpu time spent up to now is 499.8 secs Computing kpt #: 156 total cpu time spent up to now is 502.1 secs Computing kpt #: 157 total cpu time spent up to now is 504.8 secs Computing kpt #: 158 total cpu time spent up to now is 508.0 secs Computing kpt #: 159 total cpu time spent up to now is 510.9 secs Computing kpt #: 160 total cpu time spent up to now is 513.9 secs Computing kpt #: 161 total cpu time spent up to now is 517.1 secs Computing kpt #: 162 total cpu time spent up to now is 519.7 secs Computing kpt #: 163 total cpu time spent up to now is 522.8 secs Computing kpt #: 164 total cpu time spent up to now is 526.0 secs Computing kpt #: 165 total cpu time spent up to now is 529.1 secs Computing kpt #: 166 total cpu time spent up to now is 532.4 secs Computing kpt #: 167 total cpu time spent up to now is 535.4 secs Computing kpt #: 168 total cpu time spent up to now is 538.2 secs Computing kpt #: 169 total cpu time spent up to now is 541.1 secs Computing kpt #: 170 total cpu time spent up to now is 543.7 secs Computing kpt #: 171 total cpu time spent up to now is 546.5 secs Computing kpt #: 172 total cpu time spent up to now is 549.4 secs Computing kpt #: 173 total cpu time spent up to now is 552.0 secs Computing kpt #: 174 total cpu time spent up to now is 554.5 secs Computing kpt #: 175 total cpu time spent up to now is 557.5 secs Computing kpt #: 176 total cpu time spent up to now is 560.1 secs Computing kpt #: 177 total cpu time spent up to now is 562.2 secs Computing kpt #: 178 total cpu time spent up to now is 564.4 secs Computing kpt #: 179 total cpu time spent up to now is 566.6 secs Computing kpt #: 180 total cpu time spent up to now is 569.2 secs Computing kpt #: 181 total cpu time spent up to now is 571.8 secs Computing kpt #: 182 total cpu time spent up to now is 574.6 secs Computing kpt #: 183 total cpu time spent up to now is 577.5 secs Computing kpt #: 184 total cpu time spent up to now is 580.3 secs Computing kpt #: 185 total cpu time spent up to now is 582.9 secs Computing kpt #: 186 total cpu time spent up to now is 585.9 secs Computing kpt #: 187 total cpu time spent up to now is 589.0 secs Computing kpt #: 188 total cpu time spent up to now is 592.3 secs Computing kpt #: 189 total cpu time spent up to now is 594.9 secs Computing kpt #: 190 total cpu time spent up to now is 597.6 secs Computing kpt #: 191 total cpu time spent up to now is 600.2 secs Computing kpt #: 192 total cpu time spent up to now is 603.2 secs Computing kpt #: 193 total cpu time spent up to now is 606.0 secs Computing kpt #: 194 total cpu time spent up to now is 609.0 secs Computing kpt #: 195 total cpu time spent up to now is 611.9 secs Computing kpt #: 196 total cpu time spent up to now is 615.3 secs Computing kpt #: 197 total cpu time spent up to now is 618.3 secs Computing kpt #: 198 total cpu time spent up to now is 622.1 secs Computing kpt #: 199 total cpu time spent up to now is 625.7 secs Computing kpt #: 200 total cpu time spent up to now is 630.1 secs Computing kpt #: 201 total cpu time spent up to now is 633.5 secs Computing kpt #: 202 total cpu time spent up to now is 638.1 secs Computing kpt #: 203 total cpu time spent up to now is 644.4 secs Computing kpt #: 204 total cpu time spent up to now is 649.1 secs Computing kpt #: 205 total cpu time spent up to now is 652.6 secs Computing kpt #: 206 total cpu time spent up to now is 655.9 secs Computing kpt #: 207 total cpu time spent up to now is 658.6 secs Computing kpt #: 208 total cpu time spent up to now is 661.0 secs Computing kpt #: 209 total cpu time spent up to now is 663.7 secs Computing kpt #: 210 total cpu time spent up to now is 666.7 secs Computing kpt #: 211 total cpu time spent up to now is 669.4 secs Computing kpt #: 212 total cpu time spent up to now is 672.2 secs Computing kpt #: 213 total cpu time spent up to now is 675.3 secs Computing kpt #: 214 total cpu time spent up to now is 678.4 secs Computing kpt #: 215 total cpu time spent up to now is 681.1 secs Computing kpt #: 216 total cpu time spent up to now is 684.1 secs Computing kpt #: 217 total cpu time spent up to now is 687.2 secs Computing kpt #: 218 total cpu time spent up to now is 690.5 secs Computing kpt #: 219 total cpu time spent up to now is 693.3 secs Computing kpt #: 220 total cpu time spent up to now is 696.6 secs Computing kpt #: 221 total cpu time spent up to now is 699.2 secs Computing kpt #: 222 total cpu time spent up to now is 703.0 secs Computing kpt #: 223 total cpu time spent up to now is 706.8 secs Computing kpt #: 224 total cpu time spent up to now is 710.2 secs Computing kpt #: 225 total cpu time spent up to now is 713.1 secs Computing kpt #: 226 total cpu time spent up to now is 716.3 secs Computing kpt #: 227 total cpu time spent up to now is 719.5 secs Computing kpt #: 228 total cpu time spent up to now is 722.4 secs Computing kpt #: 229 total cpu time spent up to now is 725.0 secs Computing kpt #: 230 total cpu time spent up to now is 728.0 secs Computing kpt #: 231 total cpu time spent up to now is 731.0 secs Computing kpt #: 232 total cpu time spent up to now is 733.7 secs Computing kpt #: 233 total cpu time spent up to now is 736.2 secs Computing kpt #: 234 total cpu time spent up to now is 739.0 secs Computing kpt #: 235 total cpu time spent up to now is 743.2 secs Computing kpt #: 236 total cpu time spent up to now is 747.4 secs Computing kpt #: 237 total cpu time spent up to now is 750.9 secs Computing kpt #: 238 total cpu time spent up to now is 753.8 secs Computing kpt #: 239 total cpu time spent up to now is 756.6 secs Computing kpt #: 240 total cpu time spent up to now is 759.6 secs Computing kpt #: 241 total cpu time spent up to now is 762.3 secs Computing kpt #: 242 total cpu time spent up to now is 764.8 secs Computing kpt #: 243 total cpu time spent up to now is 766.7 secs Computing kpt #: 244 total cpu time spent up to now is 768.7 secs Computing kpt #: 245 total cpu time spent up to now is 771.1 secs Computing kpt #: 246 total cpu time spent up to now is 773.9 secs Computing kpt #: 247 total cpu time spent up to now is 776.5 secs Computing kpt #: 248 total cpu time spent up to now is 779.4 secs Computing kpt #: 249 total cpu time spent up to now is 782.1 secs Computing kpt #: 250 total cpu time spent up to now is 785.4 secs Computing kpt #: 251 total cpu time spent up to now is 789.0 secs Computing kpt #: 252 total cpu time spent up to now is 792.0 secs Computing kpt #: 253 total cpu time spent up to now is 795.2 secs ethr = 2.27E-08, avg # of iterations = 40.3 total cpu time spent up to now is 795.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6157 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9123 -7.9123 -7.8267 -7.8267 -6.0081 -6.0081 -5.8735 -5.8735 -5.8626 -5.8626 -5.7808 -5.7808 -5.5809 -5.5809 -4.7908 -4.7908 -3.1745 -3.1745 -3.1628 -3.1628 2.3149 2.3149 3.0547 3.0547 3.3652 3.3652 3.6926 3.6926 3.8591 3.8591 4.6519 4.6519 4.7317 4.7317 5.3564 5.3564 5.3879 5.3879 6.3315 6.3315 7.6683 7.6683 8.3648 8.3648 8.8702 8.8702 9.9369 9.9369 k = 0.0000 0.0000 0.0214 ( 6149 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9123 -7.9123 -7.8269 -7.8269 -6.0084 -6.0084 -5.8734 -5.8734 -5.8648 -5.8648 -5.7817 -5.7817 -5.5769 -5.5769 -4.7919 -4.7919 -3.1739 -3.1739 -3.1621 -3.1621 2.3139 2.3139 3.0411 3.0411 3.3731 3.3731 3.7007 3.7007 3.8625 3.8625 4.6513 4.6513 4.7320 4.7320 5.3558 5.3558 5.3868 5.3868 6.3294 6.3294 7.6685 7.6685 8.3586 8.3586 8.8604 8.8604 9.9360 9.9360 k = 0.0000 0.0000 0.0429 ( 6169 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9124 -7.9124 -7.8273 -7.8273 -6.0091 -6.0091 -5.8730 -5.8730 -5.8712 -5.8712 -5.7840 -5.7840 -5.5655 -5.5655 -4.7951 -4.7951 -3.1722 -3.1722 -3.1603 -3.1603 2.3108 2.3108 3.0063 3.0063 3.3911 3.3911 3.7224 3.7224 3.8743 3.8743 4.6497 4.6497 4.7330 4.7330 5.3529 5.3529 5.3848 5.3848 6.3231 6.3231 7.6688 7.6688 8.3393 8.3393 8.8341 8.8341 9.9309 9.9309 k = 0.0000 0.0000 0.0643 ( 6175 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9124 -7.9124 -7.8280 -7.8280 -6.0102 -6.0102 -5.8815 -5.8815 -5.8725 -5.8725 -5.7865 -5.7865 -5.5479 -5.5479 -4.8003 -4.8003 -3.1693 -3.1693 -3.1574 -3.1574 2.3053 2.3053 2.9614 2.9614 3.4106 3.4106 3.7501 3.7501 3.9001 3.9001 4.6472 4.6472 4.7347 4.7347 5.3452 5.3452 5.3843 5.3843 6.3127 6.3127 7.6687 7.6687 8.3051 8.3051 8.7995 8.7995 9.9202 9.9202 k = 0.0000 0.0000 0.0858 ( 6179 PWs) bands (ev): -21.1918 -21.1918 -21.1690 -21.1690 -7.9125 -7.9125 -7.8289 -7.8289 -6.0119 -6.0119 -5.8951 -5.8951 -5.8717 -5.8717 -5.7887 -5.7887 -5.5256 -5.5256 -4.8075 -4.8075 -3.1655 -3.1655 -3.1533 -3.1533 2.2970 2.2970 2.9147 2.9147 3.4271 3.4271 3.7734 3.7734 3.9458 3.9458 4.6438 4.6438 4.7373 4.7373 5.3314 5.3314 5.3869 5.3869 6.2985 6.2985 7.6671 7.6671 8.2549 8.2549 8.7649 8.7649 9.9050 9.9050 k = 0.0000 0.0000 0.1072 ( 6173 PWs) bands (ev): -21.1917 -21.1917 -21.1690 -21.1690 -7.9126 -7.9126 -7.8301 -7.8301 -6.0139 -6.0139 -5.9110 -5.9110 -5.8706 -5.8706 -5.7901 -5.7901 -5.4999 -5.4999 -4.8165 -4.8165 -3.1608 -3.1608 -3.1484 -3.1484 2.2857 2.2857 2.8714 2.8714 3.4402 3.4402 3.7885 3.7885 4.0102 4.0102 4.6398 4.6398 4.7411 4.7411 5.3121 5.3121 5.3923 5.3923 6.2809 6.2809 7.6622 7.6622 8.1905 8.1905 8.7363 8.7363 9.8864 9.8864 k = 0.0000 0.0000 0.1287 ( 6169 PWs) bands (ev): -21.1916 -21.1916 -21.1691 -21.1691 -7.9127 -7.9127 -7.8316 -7.8316 -6.0164 -6.0164 -5.9283 -5.9283 -5.8694 -5.8694 -5.7909 -5.7909 -5.4716 -5.4716 -4.8271 -4.8271 -3.1555 -3.1555 -3.1426 -3.1426 2.2712 2.2712 2.8346 2.8346 3.4506 3.4506 3.7977 3.7977 4.0855 4.0855 4.6354 4.6354 4.7464 4.7464 5.2881 5.2881 5.3999 5.3999 6.2602 6.2602 7.6510 7.6510 8.1180 8.1180 8.7151 8.7151 9.8655 9.8655 k = 0.0000 0.0000 0.1501 ( 6173 PWs) bands (ev): -21.1915 -21.1915 -21.1692 -21.1692 -7.9128 -7.9128 -7.8333 -7.8333 -6.0194 -6.0194 -5.9465 -5.9465 -5.8679 -5.8679 -5.7911 -5.7911 -5.4413 -5.4413 -4.8391 -4.8391 -3.1500 -3.1500 -3.1360 -3.1360 2.2538 2.2538 2.8056 2.8056 3.4593 3.4593 3.8039 3.8039 4.1645 4.1645 4.6310 4.6310 4.7541 4.7541 5.2603 5.2603 5.4092 5.4092 6.2368 6.2368 7.6285 7.6285 8.0466 8.0466 8.7003 8.7003 9.8430 9.8430 k = 0.0000 0.0000 0.1716 ( 6165 PWs) bands (ev): -21.1914 -21.1914 -21.1693 -21.1693 -7.9129 -7.9129 -7.8352 -7.8352 -6.0228 -6.0228 -5.9648 -5.9648 -5.8662 -5.8662 -5.7909 -5.7909 -5.4096 -5.4096 -4.8522 -4.8522 -3.1445 -3.1445 -3.1285 -3.1285 2.2344 2.2344 2.7850 2.7850 3.4670 3.4670 3.8085 3.8085 4.2411 4.2411 4.6269 4.6269 4.7650 4.7650 5.2292 5.2292 5.4200 5.4200 6.2114 6.2114 7.5892 7.5892 7.9865 7.9865 8.6897 8.6897 9.8201 9.8202 k = 0.0000 0.0000 0.1930 ( 6167 PWs) bands (ev): -21.1913 -21.1913 -21.1694 -21.1694 -7.9131 -7.9131 -7.8373 -7.8373 -6.0269 -6.0269 -5.9828 -5.9828 -5.8643 -5.8643 -5.7904 -5.7904 -5.3767 -5.3767 -4.8662 -4.8662 -3.1396 -3.1396 -3.1202 -3.1202 2.2140 2.2140 2.7724 2.7724 3.4740 3.4740 3.8122 3.8122 4.3100 4.3100 4.6236 4.6236 4.7803 4.7803 5.1954 5.1954 5.4321 5.4321 6.1843 6.1843 7.5307 7.5307 7.9445 7.9445 8.6814 8.6814 9.7979 9.7979 k = 0.0000 0.0000 0.2144 ( 6159 PWs) bands (ev): -21.1911 -21.1911 -21.1695 -21.1695 -7.9132 -7.9132 -7.8396 -7.8396 -6.0318 -6.0318 -5.9999 -5.9999 -5.8623 -5.8623 -5.7896 -5.7896 -5.3429 -5.3429 -4.8808 -4.8808 -3.1357 -3.1357 -3.1111 -3.1111 2.1943 2.1943 2.7669 2.7669 3.4806 3.4806 3.8156 3.8156 4.3666 4.3666 4.6215 4.6215 4.8010 4.8010 5.1596 5.1596 5.4454 5.4454 6.1562 6.1562 7.4575 7.4575 7.9196 7.9196 8.6738 8.6738 9.7772 9.7772 k = 0.0000 0.0000 0.2359 ( 6147 PWs) bands (ev): -21.1910 -21.1910 -21.1696 -21.1696 -7.9134 -7.9134 -7.8421 -7.8421 -6.0384 -6.0384 -6.0150 -6.0150 -5.8600 -5.8600 -5.7887 -5.7887 -5.3086 -5.3086 -4.8958 -4.8958 -3.1330 -3.1330 -3.1012 -3.1012 2.1767 2.1767 2.7675 2.7675 3.4870 3.4870 3.8187 3.8187 4.4078 4.4078 4.6208 4.6208 4.8266 4.8266 5.1224 5.1224 5.4597 5.4597 6.1276 6.1276 7.3784 7.3784 7.9069 7.9069 8.6655 8.6655 9.7588 9.7588 k = 0.0000 0.0000 0.2573 ( 6143 PWs) bands (ev): -21.1908 -21.1908 -21.1698 -21.1698 -7.9136 -7.9136 -7.8446 -7.8446 -6.0483 -6.0483 -6.0264 -6.0264 -5.8577 -5.8577 -5.7876 -5.7876 -5.2741 -5.2741 -4.9107 -4.9107 -3.1319 -3.1319 -3.0906 -3.0906 2.1626 2.1626 2.7730 2.7730 3.4932 3.4932 3.8216 3.8216 4.4334 4.4334 4.6209 4.6209 4.8545 4.8545 5.0844 5.0844 5.4745 5.4745 6.0990 6.0990 7.3018 7.3018 7.9011 7.9011 8.6557 8.6557 9.7433 9.7434 k = 0.0000 0.0000 0.2788 ( 6137 PWs) bands (ev): -21.1907 -21.1907 -21.1699 -21.1699 -7.9138 -7.9138 -7.8473 -7.8473 -6.0614 -6.0614 -6.0341 -6.0341 -5.8551 -5.8551 -5.7864 -5.7864 -5.2398 -5.2398 -4.9251 -4.9251 -3.1325 -3.1325 -3.0795 -3.0795 2.1532 2.1532 2.7825 2.7825 3.4993 3.4993 3.8245 3.8245 4.4458 4.4458 4.6209 4.6209 4.8797 4.8797 5.0466 5.0466 5.4892 5.4892 6.0709 6.0709 7.2345 7.2345 7.8989 7.8989 8.6438 8.6438 9.7312 9.7312 k = 0.0000 0.0000 0.3002 ( 6129 PWs) bands (ev): -21.1905 -21.1905 -21.1701 -21.1701 -7.9140 -7.9140 -7.8501 -7.8501 -6.0757 -6.0757 -6.0399 -6.0399 -5.8525 -5.8525 -5.7852 -5.7852 -5.2061 -5.2061 -4.9386 -4.9386 -3.1349 -3.1349 -3.0681 -3.0681 2.1494 2.1494 2.7951 2.7951 3.5053 3.5053 3.8273 3.8273 4.4484 4.4484 4.6199 4.6199 4.8963 4.8963 5.0104 5.0104 5.5028 5.5028 6.0438 6.0438 7.1820 7.1820 7.8982 7.8982 8.6293 8.6293 9.7229 9.7229 k = 0.0000 0.0000 0.3217 ( 6131 PWs) bands (ev): -21.1903 -21.1903 -21.1702 -21.1702 -7.9143 -7.9143 -7.8529 -7.8529 -6.0900 -6.0900 -6.0450 -6.0450 -5.8498 -5.8498 -5.7839 -5.7839 -5.1740 -5.1740 -4.9502 -4.9502 -3.1393 -3.1393 -3.0564 -3.0564 2.1519 2.1519 2.8102 2.8102 3.5111 3.5111 3.8301 3.8301 4.4439 4.4439 4.6171 4.6171 4.8985 4.8985 4.9782 4.9782 5.5142 5.5142 6.0182 6.0182 7.1477 7.1477 7.8982 7.8982 8.6123 8.6123 9.7189 9.7189 k = 0.0000 0.0000 0.3431 ( 6133 PWs) bands (ev): -21.1901 -21.1901 -21.1704 -21.1704 -7.9145 -7.9145 -7.8558 -7.8558 -6.1039 -6.1039 -6.0497 -6.0497 -5.8471 -5.8471 -5.7826 -5.7826 -5.1447 -5.1447 -4.9587 -4.9587 -3.1456 -3.1456 -3.0447 -3.0447 2.1612 2.1612 2.8271 2.8271 3.5168 3.5168 3.8328 3.8328 4.4337 4.4337 4.6121 4.6121 4.8821 4.8821 4.9523 4.9523 5.5224 5.5224 5.9946 5.9946 7.1334 7.1334 7.8988 7.8988 8.5925 8.5925 9.7193 9.7193 k = 0.0000 0.0000 0.3646 ( 6125 PWs) bands (ev): -21.1900 -21.1900 -21.1705 -21.1705 -7.9147 -7.9147 -7.8586 -7.8586 -6.1170 -6.1170 -6.0541 -6.0541 -5.8443 -5.8443 -5.7813 -5.7813 -5.1203 -5.1203 -4.9620 -4.9620 -3.1539 -3.1539 -3.0330 -3.0330 2.1776 2.1776 2.8452 2.8452 3.5222 3.5222 3.8353 3.8353 4.4183 4.4183 4.6048 4.6048 4.8507 4.8507 4.9297 4.9297 5.5270 5.5270 5.9733 5.9733 7.1386 7.1386 7.9006 7.9006 8.5705 8.5705 9.7239 9.7239 k = 0.0000 0.0000 0.3860 ( 6125 PWs) bands (ev): -21.1898 -21.1898 -21.1706 -21.1706 -7.9150 -7.9150 -7.8615 -7.8615 -6.1293 -6.1293 -6.0584 -6.0584 -5.8416 -5.8416 -5.7800 -5.7800 -5.1034 -5.1034 -4.9576 -4.9576 -3.1640 -3.1640 -3.0214 -3.0214 2.2014 2.2014 2.8640 2.8640 3.5274 3.5274 3.8378 3.8378 4.3973 4.3973 4.5949 4.5949 4.8105 4.8105 4.9065 4.9065 5.5279 5.5279 5.9547 5.9547 7.1604 7.1604 7.9052 7.9052 8.5464 8.5464 9.7326 9.7326 k = 0.0000 0.0000 0.4074 ( 6117 PWs) bands (ev): -21.1896 -21.1896 -21.1708 -21.1708 -7.9152 -7.9152 -7.8642 -7.8642 -6.1408 -6.1408 -6.0624 -6.0624 -5.8389 -5.8389 -5.7788 -5.7788 -5.0955 -5.0955 -4.9442 -4.9442 -3.1758 -3.1758 -3.0102 -3.0102 2.2325 2.2325 2.8833 2.8833 3.5323 3.5323 3.8399 3.8399 4.3691 4.3691 4.5826 4.5826 4.7651 4.7651 4.8829 4.8829 5.5257 5.5257 5.9392 5.9392 7.1940 7.1940 7.9147 7.9147 8.5208 8.5208 9.7452 9.7452 k = 0.0000 0.0000 0.4289 ( 6121 PWs) bands (ev): -21.1895 -21.1895 -21.1709 -21.1709 -7.9155 -7.9155 -7.8669 -7.8669 -6.1515 -6.1515 -6.0663 -6.0663 -5.8362 -5.8362 -5.7776 -5.7776 -5.0950 -5.0950 -4.9235 -4.9235 -3.1890 -3.1890 -2.9994 -2.9994 2.2708 2.2708 2.9025 2.9025 3.5369 3.5369 3.8417 3.8417 4.3313 4.3313 4.5684 4.5684 4.7174 4.7174 4.8610 4.8610 5.5211 5.5211 5.9268 5.9268 7.2337 7.2337 7.9320 7.9320 8.4942 8.4942 9.7613 9.7613 k = 0.0000 0.0000 0.4503 ( 6113 PWs) bands (ev): -21.1893 -21.1893 -21.1710 -21.1710 -7.9157 -7.9157 -7.8694 -7.8694 -6.1612 -6.1612 -6.0699 -6.0699 -5.8337 -5.8337 -5.7765 -5.7765 -5.0991 -5.0991 -4.8985 -4.8985 -3.2033 -3.2033 -2.9891 -2.9891 2.3162 2.3162 2.9213 2.9213 3.5409 3.5409 3.8430 3.8430 4.2817 4.2817 4.5530 4.5530 4.6713 4.6713 4.8423 4.8423 5.5147 5.5147 5.9174 5.9174 7.2731 7.2731 7.9600 7.9600 8.4674 8.4674 9.7807 9.7807 k = 0.0000 0.0000 0.4718 ( 6111 PWs) bands (ev): -21.1892 -21.1892 -21.1712 -21.1712 -7.9159 -7.9159 -7.8718 -7.8718 -6.1700 -6.1700 -6.0733 -6.0733 -5.8313 -5.8313 -5.7754 -5.7754 -5.1055 -5.1055 -4.8718 -4.8718 -3.2184 -3.2184 -2.9794 -2.9794 2.3684 2.3684 2.9393 2.9393 3.5445 3.5445 3.8433 3.8433 4.2192 4.2192 4.5376 4.5376 4.6299 4.6299 4.8271 4.8271 5.5073 5.5073 5.9107 5.9107 7.3070 7.3070 8.0010 8.0010 8.4408 8.4408 9.8031 9.8031 k = 0.0000 0.0000 0.4932 ( 6117 PWs) bands (ev): -21.1890 -21.1890 -21.1713 -21.1713 -7.9161 -7.9161 -7.8740 -7.8740 -6.1779 -6.1779 -6.0764 -6.0764 -5.8291 -5.8291 -5.7744 -5.7744 -5.1126 -5.1126 -4.8450 -4.8450 -3.2337 -3.2337 -2.9704 -2.9704 2.4268 2.4268 2.9564 2.9564 3.5474 3.5474 3.8418 3.8418 4.1454 4.1454 4.5230 4.5230 4.5947 4.5947 4.8150 4.8150 5.4992 5.4992 5.9063 5.9063 7.3324 7.3324 8.0551 8.0551 8.4153 8.4153 9.8279 9.8279 k = 0.0000 0.0000 0.5147 ( 6109 PWs) bands (ev): -21.1889 -21.1889 -21.1714 -21.1714 -7.9162 -7.9162 -7.8761 -7.8761 -6.1848 -6.1848 -6.0792 -6.0792 -5.8270 -5.8270 -5.7736 -5.7736 -5.1198 -5.1198 -4.8193 -4.8193 -3.2489 -3.2489 -2.9623 -2.9623 2.4908 2.4908 2.9721 2.9721 3.5494 3.5494 3.8368 3.8368 4.0651 4.0651 4.5101 4.5101 4.5656 4.5656 4.8057 4.8057 5.4910 5.4910 5.9038 5.9038 7.3488 7.3488 8.1200 8.1200 8.3915 8.3915 9.8546 9.8546 k = 0.0000 0.0000 0.5361 ( 6101 PWs) bands (ev): -21.1888 -21.1888 -21.1715 -21.1715 -7.9164 -7.9164 -7.8779 -7.8779 -6.1909 -6.1909 -6.0817 -6.0817 -5.8252 -5.8252 -5.7728 -5.7728 -5.1266 -5.1266 -4.7955 -4.7955 -3.2635 -3.2635 -2.9551 -2.9551 2.5596 2.5596 2.9863 2.9863 3.5502 3.5502 3.8228 3.8228 3.9878 3.9878 4.4990 4.4990 4.5416 4.5416 4.7985 4.7985 5.4831 5.4831 5.9027 5.9027 7.3575 7.3575 8.1914 8.1914 8.3701 8.3701 9.8823 9.8823 k = 0.0000 0.0000 0.5576 ( 6104 PWs) bands (ev): -21.1887 -21.1887 -21.1715 -21.1715 -7.9165 -7.9165 -7.8794 -7.8794 -6.1960 -6.1960 -6.0838 -6.0838 -5.8236 -5.8236 -5.7721 -5.7721 -5.1327 -5.1327 -4.7742 -4.7742 -3.2769 -3.2769 -2.9489 -2.9489 2.6318 2.6318 2.9987 2.9987 3.5489 3.5489 3.7872 3.7872 3.9305 3.9305 4.4898 4.4898 4.5221 4.5221 4.7930 4.7930 5.4759 5.4759 5.9026 5.9026 7.3606 7.3606 8.2628 8.2628 8.3530 8.3530 9.9099 9.9099 k = 0.0000 0.0000 0.5790 ( 6108 PWs) bands (ev): -21.1886 -21.1886 -21.1716 -21.1716 -7.9167 -7.9167 -7.8808 -7.8808 -6.2001 -6.2001 -6.0856 -6.0856 -5.8222 -5.8222 -5.7716 -5.7716 -5.1378 -5.1378 -4.7560 -4.7560 -3.2887 -3.2887 -2.9437 -2.9437 2.7056 2.7056 3.0092 3.0092 3.5433 3.5433 3.7265 3.7265 3.9031 3.9031 4.4825 4.4825 4.5065 4.5065 4.7889 4.7889 5.4697 5.4697 5.9030 5.9030 7.3603 7.3603 8.3138 8.3138 8.3560 8.3560 9.9361 9.9361 k = 0.0000 0.0000 0.6004 ( 6120 PWs) bands (ev): -21.1886 -21.1886 -21.1717 -21.1717 -7.9167 -7.9167 -7.8818 -7.8818 -6.2034 -6.2034 -6.0870 -6.0870 -5.8212 -5.8212 -5.7712 -5.7712 -5.1419 -5.1419 -4.7413 -4.7413 -3.2984 -3.2984 -2.9396 -2.9396 2.7776 2.7776 3.0176 3.0176 3.5277 3.5277 3.6638 3.6638 3.8924 3.8924 4.4768 4.4768 4.4946 4.4946 4.7860 4.7860 5.4646 5.4646 5.9036 5.9036 7.3584 7.3584 8.3130 8.3130 8.4053 8.4053 9.9593 9.9593 k = 0.0000 0.0000 0.6219 ( 6122 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9168 -7.9168 -7.8825 -7.8825 -6.2057 -6.2057 -6.0880 -6.0880 -5.8204 -5.8204 -5.7708 -5.7708 -5.1449 -5.1449 -4.7306 -4.7306 -3.3057 -3.3057 -2.9366 -2.9366 2.8423 2.8423 3.0238 3.0238 3.4952 3.4952 3.6234 3.6234 3.8880 3.8880 4.4726 4.4726 4.4863 4.4863 4.7840 4.7840 5.4608 5.4608 5.9043 5.9043 7.3562 7.3562 8.3051 8.3051 8.4519 8.4519 9.9777 9.9777 k = 0.0000 0.0000 0.6433 ( 6124 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9168 -7.9168 -7.8830 -7.8830 -6.2071 -6.2071 -6.0886 -6.0886 -5.8200 -5.8200 -5.7707 -5.7707 -5.1467 -5.1467 -4.7240 -4.7240 -3.3101 -3.3101 -2.9348 -2.9348 2.8901 2.8901 3.0277 3.0277 3.4577 3.4577 3.6069 3.6069 3.8862 3.8862 4.4700 4.4700 4.4814 4.4814 4.7828 4.7828 5.4585 5.4585 5.9047 5.9047 7.3545 7.3545 8.2998 8.2998 8.4822 8.4822 9.9896 9.9896 k = 0.0000 0.0000 0.6648 ( 6126 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9169 -7.9169 -7.8831 -7.8831 -6.2076 -6.2076 -6.0888 -6.0888 -5.8198 -5.8198 -5.7706 -5.7706 -5.1473 -5.1473 -4.7218 -4.7218 -3.3116 -3.3116 -2.9342 -2.9342 2.9083 2.9083 3.0291 3.0291 3.4413 3.4413 3.6029 3.6029 3.8856 3.8856 4.4691 4.4691 4.4799 4.4799 4.7825 4.7825 5.4578 5.4578 5.9049 5.9049 7.3538 7.3538 8.2980 8.2980 8.4927 8.4927 9.9937 9.9937 k = 0.0000 0.0000 0.6648 ( 6126 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9169 -7.9169 -7.8831 -7.8831 -6.2076 -6.2076 -6.0888 -6.0888 -5.8198 -5.8198 -5.7706 -5.7706 -5.1473 -5.1473 -4.7218 -4.7218 -3.3116 -3.3116 -2.9342 -2.9342 2.9083 2.9083 3.0291 3.0291 3.4413 3.4413 3.6029 3.6029 3.8856 3.8856 4.4691 4.4691 4.4799 4.4799 4.7825 4.7825 5.4578 5.4578 5.9049 5.9049 7.3538 7.3538 8.2980 8.2980 8.4927 8.4927 9.9937 9.9937 k =-0.0155 0.0136 0.6648 ( 6114 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9169 -7.9169 -7.8832 -7.8832 -6.2073 -6.2073 -6.0896 -6.0896 -5.8197 -5.8197 -5.7709 -5.7709 -5.1462 -5.1462 -4.7221 -4.7221 -3.3107 -3.3107 -2.9341 -2.9341 2.9083 2.9083 3.0200 3.0200 3.4385 3.4385 3.6041 3.6041 3.8912 3.8912 4.4723 4.4723 4.4816 4.4816 4.7873 4.7873 5.4549 5.4549 5.9027 5.9027 7.3583 7.3583 8.2877 8.2877 8.4946 8.4946 9.9750 9.9750 k =-0.0310 0.0272 0.6648 ( 6112 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9171 -7.9171 -7.8832 -7.8832 -6.2064 -6.2064 -6.0922 -6.0922 -5.8196 -5.8196 -5.7719 -5.7719 -5.1430 -5.1430 -4.7231 -4.7231 -3.3077 -3.3077 -2.9338 -2.9338 2.9075 2.9075 2.9955 2.9955 3.4303 3.4303 3.6051 3.6051 3.9089 3.9089 4.4765 4.4765 4.4919 4.4919 4.8016 4.8016 5.4462 5.4462 5.8963 5.8963 7.3714 7.3714 8.2576 8.2576 8.5004 8.5004 9.9324 9.9324 k =-0.0465 0.0408 0.6648 ( 6124 PWs) bands (ev): -21.1884 -21.1884 -21.1718 -21.1718 -7.9174 -7.9174 -7.8833 -7.8833 -6.2050 -6.2050 -6.0965 -6.0965 -5.8193 -5.8193 -5.7735 -5.7735 -5.1376 -5.1376 -4.7248 -4.7248 -3.3028 -3.3028 -2.9333 -2.9333 2.9009 2.9009 2.9650 2.9650 3.4169 3.4169 3.6003 3.6003 3.9406 3.9406 4.4787 4.4787 4.5131 4.5131 4.8242 4.8242 5.4320 5.4320 5.8866 5.8866 7.3926 7.3926 8.2099 8.2099 8.5101 8.5101 9.8824 9.8824 k =-0.0620 0.0543 0.6648 ( 6126 PWs) bands (ev): -21.1884 -21.1884 -21.1718 -21.1718 -7.9179 -7.9179 -7.8835 -7.8835 -6.2031 -6.2031 -6.1023 -6.1023 -5.8188 -5.8188 -5.7757 -5.7757 -5.1303 -5.1303 -4.7272 -4.7272 -3.2960 -3.2960 -2.9325 -2.9325 2.8747 2.8747 2.9472 2.9472 3.3987 3.3987 3.5868 3.5868 3.9855 3.9855 4.4814 4.4814 4.5416 4.5416 4.8537 4.8537 5.4128 5.4128 5.8746 5.8746 7.4212 7.4212 8.1477 8.1477 8.5238 8.5238 9.8320 9.8320 k =-0.0775 0.0679 0.6648 ( 6124 PWs) bands (ev): -21.1883 -21.1883 -21.1719 -21.1719 -7.9184 -7.9184 -7.8837 -7.8837 -6.2006 -6.2006 -6.1096 -6.1096 -5.8182 -5.8182 -5.7784 -5.7784 -5.1212 -5.1212 -4.7302 -4.7302 -3.2874 -3.2874 -2.9316 -2.9316 2.8288 2.8288 2.9461 2.9461 3.3763 3.3763 3.5648 3.5648 4.0401 4.0401 4.4854 4.4854 4.5756 4.5756 4.8881 4.8881 5.3898 5.3898 5.8616 5.8616 7.4560 7.4560 8.0746 8.0746 8.5415 8.5415 9.7840 9.7840 k =-0.0930 0.0815 0.6648 ( 6120 PWs) bands (ev): -21.1882 -21.1882 -21.1720 -21.1720 -7.9191 -7.9191 -7.8839 -7.8839 -6.1977 -6.1977 -6.1182 -6.1182 -5.8174 -5.8174 -5.7817 -5.7817 -5.1105 -5.1105 -4.7338 -4.7338 -3.2771 -3.2771 -2.9306 -2.9306 2.7759 2.7759 2.9517 2.9517 3.3504 3.3504 3.5366 3.5366 4.0998 4.0998 4.4910 4.4910 4.6132 4.6132 4.9249 4.9249 5.3649 5.3649 5.8486 5.8486 7.4961 7.4961 7.9943 7.9943 8.5632 8.5632 9.7397 9.7397 k =-0.1086 0.0951 0.6648 ( 6122 PWs) bands (ev): -21.1881 -21.1881 -21.1721 -21.1721 -7.9198 -7.9198 -7.8842 -7.8842 -6.1943 -6.1943 -6.1278 -6.1278 -5.8164 -5.8164 -5.7853 -5.7853 -5.0985 -5.0985 -4.7380 -4.7380 -3.2652 -3.2652 -2.9293 -2.9293 2.7219 2.7219 2.9603 2.9603 3.3215 3.3215 3.5045 3.5045 4.1604 4.1604 4.4986 4.4986 4.6526 4.6526 4.9607 4.9607 5.3417 5.3417 5.8367 5.8367 7.5404 7.5404 7.9105 7.9105 8.5888 8.5888 9.6997 9.6997 k =-0.1241 0.1087 0.6648 ( 6122 PWs) bands (ev): -21.1880 -21.1880 -21.1721 -21.1721 -7.9207 -7.9207 -7.8846 -7.8846 -6.1905 -6.1905 -6.1384 -6.1384 -5.8152 -5.8152 -5.7893 -5.7893 -5.0852 -5.0852 -4.7428 -4.7428 -3.2519 -3.2519 -2.9279 -2.9279 2.6689 2.6689 2.9707 2.9707 3.2900 3.2900 3.4705 3.4705 4.2180 4.2180 4.5083 4.5083 4.6918 4.6918 4.9913 4.9913 5.3257 5.3257 5.8266 5.8266 7.5878 7.5878 7.8266 7.8266 8.6184 8.6184 9.6645 9.6645 k =-0.1396 0.1223 0.6648 ( 6110 PWs) bands (ev): -21.1879 -21.1879 -21.1723 -21.1723 -7.9217 -7.9217 -7.8849 -7.8849 -6.1865 -6.1865 -6.1496 -6.1496 -5.8139 -5.8139 -5.7936 -5.7936 -5.0710 -5.0710 -4.7482 -4.7482 -3.2374 -3.2374 -2.9264 -2.9264 2.6185 2.6185 2.9825 2.9825 3.2563 3.2563 3.4362 3.4362 4.2696 4.2696 4.5199 4.5199 4.7277 4.7277 5.0124 5.0124 5.3232 5.3232 5.8191 5.8191 7.6369 7.6369 7.7465 7.7465 8.6518 8.6518 9.6342 9.6342 k =-0.1551 0.1359 0.6648 ( 6110 PWs) bands (ev): -21.1878 -21.1878 -21.1724 -21.1724 -7.9228 -7.9228 -7.8854 -7.8854 -6.1827 -6.1827 -6.1608 -6.1608 -5.8124 -5.8124 -5.7980 -5.7980 -5.0561 -5.0561 -4.7540 -4.7540 -3.2217 -3.2217 -2.9248 -2.9248 2.5714 2.5714 2.9953 2.9953 3.2206 3.2206 3.4029 3.4029 4.3127 4.3127 4.5322 4.5322 4.7563 4.7563 5.0244 5.0244 5.3378 5.3378 5.8148 5.8148 7.6592 7.6592 7.7007 7.7007 8.6893 8.6893 9.6091 9.6091 k =-0.1706 0.1495 0.6648 ( 6114 PWs) bands (ev): -21.1876 -21.1876 -21.1725 -21.1725 -7.9240 -7.9240 -7.8858 -7.8858 -6.1818 -6.1818 -6.1692 -6.1692 -5.8109 -5.8109 -5.8024 -5.8024 -5.0407 -5.0407 -4.7603 -4.7603 -3.2051 -3.2051 -2.9231 -2.9231 2.5285 2.5285 3.0089 3.0089 3.1834 3.1834 3.3718 3.3718 4.3463 4.3463 4.5424 4.5424 4.7731 4.7731 5.0345 5.0345 5.3668 5.3668 5.8149 5.8149 7.5987 7.5987 7.7476 7.7476 8.7307 8.7307 9.5892 9.5892 k =-0.1861 0.1630 0.6648 ( 6114 PWs) bands (ev): -21.1875 -21.1875 -21.1726 -21.1726 -7.9252 -7.9252 -7.8864 -7.8864 -6.1901 -6.1901 -6.1684 -6.1684 -5.8101 -5.8101 -5.8058 -5.8058 -5.0250 -5.0250 -4.7670 -4.7670 -3.1877 -3.1877 -2.9213 -2.9213 2.4901 2.4901 3.0228 3.0228 3.1449 3.1449 3.3434 3.3434 4.3708 4.3708 4.5456 4.5456 4.7764 4.7764 5.0511 5.0511 5.4038 5.4038 5.8210 5.8210 7.5432 7.5432 7.8012 7.8012 8.7760 8.7760 9.5746 9.5746 k =-0.2016 0.1766 0.6648 ( 6112 PWs) bands (ev): -21.1873 -21.1873 -21.1727 -21.1727 -7.9265 -7.9265 -7.8869 -7.8869 -6.2021 -6.2021 -6.1639 -6.1639 -5.8128 -5.8128 -5.8057 -5.8057 -5.0092 -5.0092 -4.7740 -4.7740 -3.1698 -3.1698 -2.9194 -2.9194 2.4567 2.4567 3.0365 3.0365 3.1059 3.1059 3.3185 3.3185 4.3872 4.3872 4.5364 4.5364 4.7706 4.7706 5.0766 5.0766 5.4422 5.4422 5.8349 5.8349 7.5004 7.5004 7.8557 7.8557 8.8253 8.8253 9.5653 9.5653 k =-0.2171 0.1902 0.6648 ( 6112 PWs) bands (ev): -21.1872 -21.1872 -21.1729 -21.1729 -7.9279 -7.9279 -7.8875 -7.8875 -6.2146 -6.2146 -6.1587 -6.1587 -5.8168 -5.8168 -5.8038 -5.8038 -4.9935 -4.9935 -4.7814 -4.7814 -3.1516 -3.1516 -2.9174 -2.9174 2.4284 2.4284 3.0469 3.0469 3.0697 3.0697 3.2974 3.2974 4.3962 4.3962 4.5120 4.5120 4.7619 4.7619 5.1083 5.1083 5.4767 5.4767 5.8588 5.8588 7.4724 7.4724 7.9101 7.9101 8.8786 8.8786 9.5609 9.5609 k =-0.2326 0.2038 0.6648 ( 6104 PWs) bands (ev): -21.1870 -21.1870 -21.1730 -21.1730 -7.9293 -7.9293 -7.8881 -7.8881 -6.2271 -6.2271 -6.1532 -6.1532 -5.8208 -5.8208 -5.8016 -5.8016 -4.9781 -4.9781 -4.7889 -4.7889 -3.1333 -3.1333 -2.9153 -2.9153 2.4055 2.4055 3.0225 3.0225 3.0674 3.0674 3.2806 3.2806 4.3971 4.3971 4.4749 4.4749 4.7525 4.7525 5.1428 5.1428 5.5041 5.5041 5.8941 5.8941 7.4605 7.4605 7.9642 7.9642 8.9358 8.9358 9.5604 9.5604 k =-0.2481 0.2174 0.6648 ( 6102 PWs) bands (ev): -21.1869 -21.1869 -21.1732 -21.1732 -7.9307 -7.9307 -7.8888 -7.8888 -6.2394 -6.2394 -6.1477 -6.1477 -5.8246 -5.8246 -5.7993 -5.7993 -4.9630 -4.9630 -4.7966 -4.7966 -3.1151 -3.1151 -2.9132 -2.9132 2.3882 2.3882 2.9841 2.9841 3.0786 3.0786 3.2682 3.2682 4.3834 4.3834 4.4352 4.4352 4.7417 4.7417 5.1780 5.1780 5.5232 5.5232 5.9403 5.9403 7.4649 7.4649 8.0174 8.0174 8.9967 8.9967 9.5552 9.5552 k =-0.2636 0.2310 0.6648 ( 6104 PWs) bands (ev): -21.1867 -21.1867 -21.1733 -21.1733 -7.9322 -7.9322 -7.8895 -7.8895 -6.2514 -6.2514 -6.1423 -6.1423 -5.8280 -5.8280 -5.7970 -5.7970 -4.9486 -4.9486 -4.8043 -4.8043 -3.0973 -3.0973 -2.9108 -2.9108 2.3763 2.3763 2.9457 2.9457 3.0892 3.0892 3.2605 3.2605 4.3426 4.3426 4.4084 4.4084 4.7288 4.7288 5.2125 5.2125 5.5351 5.5351 5.9958 5.9958 7.4853 7.4853 8.0696 8.0696 9.0610 9.0610 9.5052 9.5052 k =-0.2791 0.2446 0.6648 ( 6106 PWs) bands (ev): -21.1865 -21.1865 -21.1735 -21.1735 -7.9337 -7.9337 -7.8901 -7.8901 -6.2630 -6.2630 -6.1371 -6.1371 -5.8309 -5.8309 -5.7945 -5.7945 -4.9349 -4.9349 -4.8119 -4.8119 -3.0800 -3.0800 -2.9083 -2.9083 2.3700 2.3700 2.9084 2.9084 3.0983 3.0983 3.2574 3.2574 4.2849 4.2849 4.3861 4.3861 4.7143 4.7143 5.2457 5.2457 5.5412 5.5412 6.0581 6.0581 7.5203 7.5203 8.1205 8.1205 9.1282 9.1282 9.4335 9.4335 k =-0.2946 0.2582 0.6648 ( 6096 PWs) bands (ev): -21.1864 -21.1864 -21.1736 -21.1736 -7.9351 -7.9351 -7.8908 -7.8908 -6.2740 -6.2740 -6.1320 -6.1320 -5.8333 -5.8333 -5.7921 -5.7921 -4.9221 -4.9221 -4.8192 -4.8192 -3.0635 -3.0635 -2.9055 -2.9055 2.3692 2.3692 2.8724 2.8724 3.1062 3.1062 3.2586 3.2586 4.2217 4.2217 4.3574 4.3574 4.6999 4.6999 5.2773 5.2773 5.5435 5.5435 6.1248 6.1248 7.5682 7.5682 8.1699 8.1699 9.1964 9.1964 9.3633 9.3633 k =-0.3101 0.2717 0.6648 ( 6096 PWs) bands (ev): -21.1862 -21.1862 -21.1737 -21.1737 -7.9365 -7.9365 -7.8915 -7.8915 -6.2845 -6.2845 -6.1273 -6.1273 -5.8353 -5.8353 -5.7897 -5.7897 -4.9106 -4.9106 -4.8259 -4.8259 -3.0482 -3.0482 -2.9023 -2.9023 2.3737 2.3737 2.8382 2.8382 3.1132 3.1132 3.2631 3.2631 4.1567 4.1567 4.3194 4.3194 4.6872 4.6872 5.3071 5.3071 5.5431 5.5431 6.1941 6.1941 7.6266 7.6266 8.2176 8.2176 9.2489 9.2489 9.3131 9.3131 k =-0.3257 0.2853 0.6648 ( 6100 PWs) bands (ev): -21.1861 -21.1861 -21.1739 -21.1739 -7.9379 -7.9379 -7.8922 -7.8922 -6.2943 -6.2943 -6.1229 -6.1229 -5.8367 -5.8367 -5.7874 -5.7874 -4.9007 -4.9007 -4.8317 -4.8317 -3.0341 -3.0341 -2.8988 -2.8988 2.3832 2.3832 2.8059 2.8059 3.1201 3.1201 3.2702 3.2702 4.0914 4.0914 4.2721 4.2721 4.6775 4.6775 5.3350 5.3350 5.5411 5.5411 6.2642 6.2642 7.6932 7.6932 8.2635 8.2635 9.2121 9.2121 9.3380 9.3381 k =-0.3257 0.2853 0.6648 ( 6100 PWs) bands (ev): -21.1861 -21.1861 -21.1739 -21.1739 -7.9379 -7.9379 -7.8922 -7.8922 -6.2943 -6.2943 -6.1229 -6.1229 -5.8367 -5.8367 -5.7874 -5.7874 -4.9007 -4.9007 -4.8317 -4.8317 -3.0341 -3.0341 -2.8988 -2.8988 2.3832 2.3832 2.8059 2.8059 3.1201 3.1201 3.2702 3.2702 4.0914 4.0914 4.2721 4.2721 4.6775 4.6775 5.3350 5.3350 5.5411 5.5411 6.2642 6.2642 7.6932 7.6932 8.2635 8.2635 9.2121 9.2121 9.3380 9.3380 k =-0.3365 0.2949 0.6503 ( 6092 PWs) bands (ev): -21.1860 -21.1860 -21.1739 -21.1739 -7.9388 -7.9388 -7.8927 -7.8927 -6.3005 -6.3005 -6.1201 -6.1201 -5.8374 -5.8374 -5.7859 -5.7859 -4.8950 -4.8950 -4.8351 -4.8351 -3.0255 -3.0255 -2.8958 -2.8958 2.3908 2.3908 2.7852 2.7852 3.1194 3.1194 3.2839 3.2839 4.0473 4.0473 4.2348 4.2348 4.6726 4.6726 5.3535 5.3535 5.5386 5.5386 6.3123 6.3123 7.7429 7.7429 8.2908 8.2908 9.1719 9.1719 9.3100 9.3100 k =-0.3474 0.3044 0.6358 ( 6093 PWs) bands (ev): -21.1859 -21.1859 -21.1740 -21.1740 -7.9397 -7.9397 -7.8930 -7.8930 -6.3060 -6.3060 -6.1174 -6.1174 -5.8381 -5.8381 -5.7846 -5.7846 -4.8905 -4.8905 -4.8380 -4.8380 -3.0186 -3.0186 -2.8923 -2.8923 2.3965 2.3965 2.7673 2.7673 3.1124 3.1124 3.3079 3.3079 4.0077 4.0077 4.1962 4.1962 4.6692 4.6692 5.3711 5.3711 5.5348 5.5348 6.3573 6.3573 7.7929 7.7929 8.3091 8.3091 9.1352 9.1352 9.2796 9.2796 k =-0.3583 0.3140 0.6213 ( 6093 PWs) bands (ev): -21.1858 -21.1858 -21.1741 -21.1741 -7.9404 -7.9404 -7.8934 -7.8934 -6.3106 -6.3106 -6.1150 -6.1150 -5.8386 -5.8386 -5.7834 -5.7834 -4.8872 -4.8872 -4.8400 -4.8400 -3.0133 -3.0133 -2.8884 -2.8884 2.4004 2.4004 2.7522 2.7522 3.1050 3.1050 3.3349 3.3349 3.9739 3.9739 4.1573 4.1573 4.6669 4.6669 5.3877 5.3877 5.5299 5.5299 6.3981 6.3981 7.8418 7.8418 8.3186 8.3186 9.1034 9.1034 9.2530 9.2530 k =-0.3692 0.3235 0.6068 ( 6103 PWs) bands (ev): -21.1858 -21.1858 -21.1741 -21.1741 -7.9410 -7.9410 -7.8936 -7.8936 -6.3145 -6.3145 -6.1130 -6.1130 -5.8390 -5.8390 -5.7825 -5.7825 -4.8852 -4.8852 -4.8412 -4.8412 -3.0094 -3.0094 -2.8847 -2.8847 2.4028 2.4028 2.7399 2.7399 3.0996 3.0996 3.3605 3.3605 3.9473 3.9473 4.1195 4.1195 4.6654 4.6654 5.4030 5.4030 5.5241 5.5241 6.4336 6.4336 7.8876 7.8876 8.3205 8.3205 9.0770 9.0770 9.2306 9.2306 k =-0.3801 0.3331 0.5923 ( 6100 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9414 -7.9414 -7.8938 -7.8938 -6.3175 -6.3175 -6.1114 -6.1114 -5.8394 -5.8394 -5.7818 -5.7818 -4.8841 -4.8841 -4.8416 -4.8416 -3.0066 -3.0066 -2.8813 -2.8813 2.4041 2.4041 2.7303 2.7303 3.0965 3.0965 3.3823 3.3823 3.9287 3.9287 4.0848 4.0848 4.6646 4.6646 5.4167 5.4167 5.5179 5.5179 6.4626 6.4626 7.9283 7.9283 8.3166 8.3166 9.0563 9.0563 9.2127 9.2127 k =-0.3910 0.3426 0.5778 ( 6098 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9418 -7.9418 -7.8939 -7.8939 -6.3196 -6.3196 -6.1102 -6.1102 -5.8396 -5.8396 -5.7812 -5.7812 -4.8837 -4.8837 -4.8417 -4.8417 -3.0049 -3.0049 -2.8786 -2.8786 2.4046 2.4046 2.7235 2.7235 3.0952 3.0952 3.3987 3.3987 3.9180 3.9180 4.0556 4.0556 4.6641 4.6641 5.4280 5.4280 5.5118 5.5118 6.4841 6.4841 7.9612 7.9612 8.3098 8.3098 9.0413 9.0413 9.1997 9.1997 k =-0.4019 0.3522 0.5634 ( 6109 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9420 -7.9420 -7.8940 -7.8940 -6.3209 -6.3209 -6.1094 -6.1094 -5.8398 -5.8398 -5.7809 -5.7809 -4.8836 -4.8836 -4.8416 -4.8416 -3.0039 -3.0039 -2.8769 -2.8769 2.4047 2.4047 2.7195 2.7195 3.0948 3.0948 3.4088 3.4088 3.9137 3.9137 4.0353 4.0353 4.6639 4.6639 5.4359 5.4359 5.5071 5.5071 6.4974 6.4974 7.9830 7.9830 8.3035 8.3035 9.0323 9.0323 9.1918 9.1918 k =-0.4128 0.3617 0.5489 ( 6096 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9420 -7.9420 -7.8940 -7.8940 -6.3213 -6.3213 -6.1092 -6.1092 -5.8398 -5.8398 -5.7808 -5.7808 -4.8836 -4.8836 -4.8416 -4.8416 -3.0035 -3.0035 -2.8764 -2.8764 2.4047 2.4047 2.7181 2.7181 3.0947 3.0947 3.4122 3.4122 3.9127 3.9127 4.0278 4.0278 4.6638 4.6638 5.4388 5.4388 5.5053 5.5053 6.5019 6.5019 7.9907 7.9907 8.3009 8.3009 9.0293 9.0293 9.1891 9.1891 k =-0.4128 0.3617 0.5489 ( 6096 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9420 -7.9420 -7.8940 -7.8940 -6.3213 -6.3213 -6.1092 -6.1092 -5.8398 -5.8398 -5.7808 -5.7808 -4.8836 -4.8836 -4.8416 -4.8416 -3.0035 -3.0035 -2.8764 -2.8764 2.4047 2.4047 2.7181 2.7181 3.0947 3.0947 3.4122 3.4122 3.9127 3.9127 4.0278 4.0278 4.6638 4.6638 5.4388 5.4388 5.5053 5.5053 6.5019 6.5019 7.9907 7.9907 8.3009 8.3009 9.0293 9.0293 9.1891 9.1891 k =-0.4017 0.3519 0.5340 ( 6104 PWs) bands (ev): -21.1858 -21.1858 -21.1741 -21.1741 -7.9409 -7.9409 -7.8932 -7.8932 -6.3139 -6.3139 -6.1109 -6.1109 -5.8409 -5.8409 -5.7829 -5.7829 -4.8804 -4.8804 -4.8481 -4.8481 -3.0142 -3.0142 -2.8781 -2.8781 2.3652 2.3652 2.7437 2.7437 3.0569 3.0569 3.4558 3.4558 3.9672 3.9672 4.0924 4.0924 4.6655 4.6655 5.4285 5.4285 5.5001 5.5001 6.4439 6.4439 7.9290 7.9290 8.2270 8.2270 9.0824 9.0824 9.2260 9.2260 k =-0.3905 0.3422 0.5192 ( 6108 PWs) bands (ev): -21.1859 -21.1859 -21.1740 -21.1740 -7.9396 -7.9396 -7.8923 -7.8923 -6.3056 -6.3056 -6.1127 -6.1127 -5.8419 -5.8419 -5.7852 -5.7852 -4.8782 -4.8782 -4.8546 -4.8546 -3.0264 -3.0264 -2.8791 -2.8791 2.3265 2.3265 2.7719 2.7719 3.0179 3.0179 3.5060 3.5060 4.0164 4.0164 4.1622 4.1622 4.6689 4.6689 5.4168 5.4168 5.4947 5.4947 6.3841 6.3841 7.8659 7.8659 8.1503 8.1503 9.1405 9.1405 9.2446 9.2446 k =-0.3794 0.3324 0.5044 ( 6112 PWs) bands (ev): -21.1861 -21.1861 -21.1739 -21.1739 -7.9383 -7.9383 -7.8913 -7.8913 -6.2965 -6.2965 -6.1145 -6.1145 -5.8427 -5.8427 -5.7877 -5.7877 -4.8781 -4.8781 -4.8603 -4.8603 -3.0398 -3.0398 -2.8794 -2.8794 2.2894 2.2894 2.8021 2.8021 2.9784 2.9784 3.5619 3.5619 4.0615 4.0615 4.2338 4.2338 4.6751 4.6751 5.4038 5.4038 5.4893 5.4893 6.3231 6.3231 7.8022 7.8022 8.0723 8.0723 9.1983 9.1983 9.2358 9.2358 k =-0.3682 0.3226 0.4895 ( 6122 PWs) bands (ev): -21.1863 -21.1863 -21.1737 -21.1737 -7.9369 -7.9369 -7.8902 -7.8902 -6.2867 -6.2867 -6.1161 -6.1161 -5.8434 -5.8434 -5.7904 -5.7904 -4.8810 -4.8810 -4.8642 -4.8642 -3.0541 -3.0541 -2.8793 -2.8793 2.2544 2.2544 2.8335 2.8335 2.9395 2.9395 3.6226 3.6226 4.1035 4.1035 4.3038 4.3038 4.6854 4.6854 5.3896 5.3896 5.4839 5.4839 6.2614 6.2614 7.7391 7.7391 7.9945 7.9945 9.1775 9.1775 9.2772 9.2772 k =-0.3570 0.3128 0.4747 ( 6134 PWs) bands (ev): -21.1865 -21.1865 -21.1736 -21.1736 -7.9354 -7.9354 -7.8889 -7.8889 -6.2762 -6.2762 -6.1175 -6.1175 -5.8439 -5.8439 -5.7933 -5.7933 -4.8870 -4.8870 -4.8665 -4.8665 -3.0688 -3.0688 -2.8790 -2.8790 2.2222 2.2222 2.8587 2.8587 2.9083 2.9083 3.6875 3.6875 4.1427 4.1427 4.3690 4.3690 4.7019 4.7019 5.3743 5.3743 5.4786 5.4786 6.1992 6.1992 7.6775 7.6775 7.9183 7.9183 9.1122 9.1122 9.3433 9.3433 k =-0.3459 0.3031 0.4599 ( 6136 PWs) bands (ev): -21.1866 -21.1866 -21.1734 -21.1734 -7.9340 -7.9340 -7.8875 -7.8875 -6.2650 -6.2650 -6.1187 -6.1187 -5.8442 -5.8442 -5.7963 -5.7963 -4.8944 -4.8944 -4.8689 -4.8689 -3.0836 -3.0836 -2.8786 -2.8786 2.1929 2.1929 2.8430 2.8430 2.9200 2.9200 3.7557 3.7557 4.1792 4.1792 4.4256 4.4256 4.7271 4.7271 5.3581 5.3581 5.4734 5.4734 6.1366 6.1366 7.6188 7.6188 7.8449 7.8449 9.0370 9.0370 9.3312 9.3312 k =-0.3347 0.2933 0.4450 ( 6143 PWs) bands (ev): -21.1868 -21.1868 -21.1732 -21.1732 -7.9325 -7.9325 -7.8860 -7.8860 -6.2533 -6.2533 -6.1196 -6.1196 -5.8443 -5.8443 -5.7994 -5.7994 -4.9024 -4.9024 -4.8724 -4.8724 -3.0982 -3.0982 -2.8785 -2.8785 2.1670 2.1670 2.8051 2.8051 2.9554 2.9554 3.8262 3.8262 4.2131 4.2131 4.4710 4.4710 4.7626 4.7626 5.3412 5.3412 5.4683 5.4683 6.0736 6.0736 7.5644 7.5644 7.7755 7.7755 8.9580 8.9580 9.2883 9.2883 k =-0.3236 0.2835 0.4302 ( 6145 PWs) bands (ev): -21.1870 -21.1870 -21.1730 -21.1730 -7.9310 -7.9310 -7.8844 -7.8844 -6.2411 -6.2411 -6.1201 -6.1201 -5.8441 -5.8441 -5.8027 -5.8027 -4.9105 -4.9105 -4.8774 -4.8774 -3.1122 -3.1122 -2.8787 -2.8787 2.1447 2.1447 2.7645 2.7645 2.9951 2.9951 3.8981 3.8981 4.2444 4.2444 4.5051 4.5051 4.8079 4.8079 5.3239 5.3239 5.4633 5.4633 6.0099 6.0099 7.5159 7.5159 7.7109 7.7109 8.8779 8.8779 9.2500 9.2500 k =-0.3124 0.2737 0.4154 ( 6147 PWs) bands (ev): -21.1873 -21.1873 -21.1729 -21.1729 -7.9296 -7.9296 -7.8827 -7.8827 -6.2284 -6.2284 -6.1201 -6.1201 -5.8437 -5.8437 -5.8060 -5.8060 -4.9186 -4.9186 -4.8842 -4.8842 -3.1254 -3.1254 -2.8794 -2.8794 2.1262 2.1262 2.7236 2.7236 3.0366 3.0366 3.9700 3.9700 4.2732 4.2732 4.5303 4.5303 4.8598 4.8598 5.3065 5.3065 5.4583 5.4583 5.9455 5.9455 7.4748 7.4748 7.6519 7.6519 8.7985 8.7985 9.2176 9.2176 k =-0.3013 0.2640 0.4005 ( 6143 PWs) bands (ev): -21.1875 -21.1875 -21.1727 -21.1727 -7.9281 -7.9281 -7.8808 -7.8808 -6.2154 -6.2154 -6.1195 -6.1195 -5.8431 -5.8431 -5.8094 -5.8094 -4.9267 -4.9267 -4.8927 -4.8927 -3.1375 -3.1375 -2.8808 -2.8808 2.1117 2.1117 2.6829 2.6829 3.0793 3.0793 4.0403 4.0403 4.2997 4.2997 4.5502 4.5502 4.9138 4.9138 5.2896 5.2896 5.4534 5.4534 5.8806 5.8806 7.4424 7.4424 7.5990 7.5990 8.7207 8.7207 9.1912 9.1912 k =-0.2901 0.2542 0.3857 ( 6161 PWs) bands (ev): -21.1877 -21.1877 -21.1725 -21.1725 -7.9267 -7.9267 -7.8788 -7.8788 -6.2021 -6.2021 -6.1184 -6.1184 -5.8422 -5.8422 -5.8129 -5.8129 -4.9351 -4.9351 -4.9026 -4.9026 -3.1485 -3.1485 -2.8830 -2.8830 2.1013 2.1013 2.6429 2.6429 3.1227 3.1227 4.1070 4.1070 4.3240 4.3240 4.5680 4.5680 4.9660 4.9660 5.2738 5.2738 5.4482 5.4482 5.8157 5.8157 7.4200 7.4200 7.5528 7.5528 8.6453 8.6453 9.1709 9.1709 k =-0.2789 0.2444 0.3709 ( 6169 PWs) bands (ev): -21.1879 -21.1879 -21.1723 -21.1723 -7.9254 -7.9254 -7.8767 -7.8767 -6.1887 -6.1887 -6.1166 -6.1166 -5.8411 -5.8411 -5.8163 -5.8163 -4.9444 -4.9444 -4.9131 -4.9131 -3.1582 -3.1582 -2.8861 -2.8861 2.0953 2.0953 2.6038 2.6038 3.1663 3.1663 4.1678 4.1678 4.3464 4.3464 4.5861 4.5861 5.0127 5.0127 5.2598 5.2598 5.4428 5.4428 5.7522 5.7522 7.4081 7.4081 7.5140 7.5140 8.5728 8.5728 9.1566 9.1566 k =-0.2678 0.2346 0.3560 ( 6155 PWs) bands (ev): -21.1882 -21.1882 -21.1721 -21.1721 -7.9241 -7.9241 -7.8745 -7.8745 -6.1752 -6.1752 -6.1140 -6.1140 -5.8397 -5.8397 -5.8198 -5.8198 -4.9560 -4.9560 -4.9229 -4.9229 -3.1666 -3.1666 -2.8902 -2.8902 2.0936 2.0936 2.5658 2.5658 3.2096 3.2096 4.2201 4.2201 4.3671 4.3671 4.6065 4.6065 5.0506 5.0506 5.2480 5.2480 5.4373 5.4373 5.6925 5.6925 7.4068 7.4068 7.4831 7.4831 8.5039 8.5039 9.1484 9.1484 k =-0.2566 0.2248 0.3412 ( 6143 PWs) bands (ev): -21.1884 -21.1884 -21.1719 -21.1719 -7.9228 -7.9228 -7.8722 -7.8722 -6.1619 -6.1619 -6.1107 -6.1107 -5.8382 -5.8382 -5.8232 -5.8232 -4.9710 -4.9710 -4.9305 -4.9305 -3.1736 -3.1736 -2.8955 -2.8955 2.0963 2.0963 2.5293 2.5293 3.2523 3.2523 4.2622 4.2622 4.3857 4.3857 4.6302 4.6302 5.0768 5.0768 5.2370 5.2370 5.4326 5.4326 5.6407 5.6407 7.4154 7.4154 7.4612 7.4612 8.4390 8.4390 9.1460 9.1460 k =-0.2455 0.2151 0.3264 ( 6145 PWs) bands (ev): -21.1886 -21.1886 -21.1717 -21.1717 -7.9217 -7.9217 -7.8697 -7.8697 -6.1488 -6.1488 -6.1064 -6.1064 -5.8366 -5.8366 -5.8265 -5.8265 -4.9897 -4.9897 -4.9354 -4.9354 -3.1793 -3.1793 -2.9019 -2.9019 2.1035 2.1035 2.4946 2.4946 3.2938 3.2938 4.2936 4.2936 4.4015 4.4015 4.6567 4.6567 5.0904 5.0904 5.2219 5.2219 5.4312 5.4312 5.6014 5.6014 7.4277 7.4277 7.4541 7.4541 8.3785 8.3785 9.1494 9.1494 k =-0.2343 0.2053 0.3115 ( 6137 PWs) bands (ev): -21.1889 -21.1889 -21.1715 -21.1715 -7.9206 -7.9206 -7.8673 -7.8673 -6.1361 -6.1361 -6.1012 -6.1012 -5.8353 -5.8353 -5.8293 -5.8293 -5.0115 -5.0115 -4.9382 -4.9382 -3.1837 -3.1837 -2.9096 -2.9096 2.1152 2.1152 2.4618 2.4618 3.3336 3.3336 4.3157 4.3157 4.4132 4.4132 4.6835 4.6835 5.0931 5.0931 5.1970 5.1970 5.4352 5.4352 5.5792 5.5792 7.4295 7.4295 7.4753 7.4753 8.3227 8.3227 9.1584 9.1584 k =-0.2231 0.1955 0.2967 ( 6125 PWs) bands (ev): -21.1891 -21.1891 -21.1712 -21.1712 -7.9195 -7.9195 -7.8647 -7.8647 -6.1239 -6.1239 -6.0949 -6.0949 -5.8358 -5.8358 -5.8301 -5.8301 -5.0358 -5.0358 -4.9391 -4.9391 -3.1870 -3.1870 -2.9185 -2.9185 2.1314 2.1314 2.4314 2.4314 3.3713 3.3713 4.3301 4.3301 4.4205 4.4205 4.7068 4.7068 5.0853 5.0853 5.1643 5.1643 5.4417 5.4417 5.5777 5.5777 7.4314 7.4314 7.5127 7.5127 8.2722 8.2722 9.1726 9.1726 k =-0.2120 0.1857 0.2819 ( 6121 PWs) bands (ev): -21.1893 -21.1893 -21.1710 -21.1710 -7.9186 -7.9186 -7.8621 -7.8621 -6.1124 -6.1124 -6.0876 -6.0876 -5.8383 -5.8383 -5.8286 -5.8286 -5.0622 -5.0622 -4.9382 -4.9382 -3.1892 -3.1892 -2.9287 -2.9287 2.1520 2.1520 2.4034 2.4034 3.4064 3.4064 4.3379 4.3379 4.4231 4.4231 4.7230 4.7230 5.0610 5.0610 5.1379 5.1379 5.4452 5.4452 5.5979 5.5979 7.4391 7.4391 7.5592 7.5592 8.2273 8.2273 9.1921 9.1921 k =-0.2008 0.1760 0.2670 ( 6131 PWs) bands (ev): -21.1896 -21.1896 -21.1709 -21.1709 -7.9177 -7.9177 -7.8594 -7.8594 -6.1016 -6.1016 -6.0791 -6.0791 -5.8413 -5.8413 -5.8264 -5.8264 -5.0904 -5.0904 -4.9357 -4.9357 -3.1904 -3.1904 -2.9401 -2.9401 2.1769 2.1769 2.3782 2.3782 3.4383 3.4383 4.3395 4.3395 4.4215 4.4215 4.7291 4.7291 5.0193 5.0193 5.1273 5.1273 5.4440 5.4440 5.6358 5.6358 7.4526 7.4526 7.6125 7.6125 8.1888 8.1888 9.2164 9.2164 k =-0.1897 0.1662 0.2522 ( 6139 PWs) bands (ev): -21.1898 -21.1898 -21.1707 -21.1707 -7.9170 -7.9170 -7.8567 -7.8567 -6.0914 -6.0914 -6.0697 -6.0697 -5.8443 -5.8443 -5.8240 -5.8240 -5.1201 -5.1201 -4.9317 -4.9317 -3.1909 -3.1909 -2.9527 -2.9527 2.2060 2.2060 2.3560 2.3560 3.4668 3.4668 4.3343 4.3343 4.4155 4.4155 4.7242 4.7242 4.9728 4.9728 5.1266 5.1266 5.4400 5.4400 5.6857 5.6857 7.4710 7.4710 7.6710 7.6710 8.1573 8.1573 9.2453 9.2453 k =-0.1785 0.1564 0.2373 ( 6135 PWs) bands (ev): -21.1900 -21.1900 -21.1705 -21.1705 -7.9163 -7.9163 -7.8540 -7.8540 -6.0817 -6.0817 -6.0596 -6.0596 -5.8473 -5.8473 -5.8214 -5.8214 -5.1511 -5.1511 -4.9262 -4.9262 -3.1906 -3.1906 -2.9664 -2.9664 2.2387 2.2387 2.3375 2.3375 3.4913 3.4913 4.3211 4.3211 4.4051 4.4051 4.7098 4.7098 4.9295 4.9295 5.1313 5.1313 5.4348 5.4348 5.7429 5.7429 7.4934 7.4934 7.7329 7.7329 8.1341 8.1341 9.2787 9.2787 k =-0.1674 0.1466 0.2225 ( 6133 PWs) bands (ev): -21.1902 -21.1902 -21.1703 -21.1703 -7.9156 -7.9156 -7.8514 -7.8514 -6.0724 -6.0724 -6.0489 -6.0489 -5.8503 -5.8503 -5.8188 -5.8188 -5.1830 -5.1830 -4.9194 -4.9194 -3.1898 -3.1898 -2.9811 -2.9811 2.2728 2.2728 2.3247 2.3247 3.5117 3.5117 4.2989 4.2989 4.3896 4.3896 4.6897 4.6897 4.8923 4.8923 5.1399 5.1399 5.4290 5.4290 5.8043 5.8043 7.5185 7.5185 7.7958 7.7958 8.1211 8.1211 9.3161 9.3161 k =-0.1562 0.1369 0.2077 ( 6141 PWs) bands (ev): -21.1904 -21.1904 -21.1701 -21.1701 -7.9151 -7.9151 -7.8487 -7.8487 -6.0635 -6.0635 -6.0376 -6.0376 -5.8531 -5.8531 -5.8161 -5.8161 -5.2157 -5.2157 -4.9112 -4.9112 -3.1885 -3.1885 -2.9966 -2.9966 2.2923 2.2923 2.3336 2.3336 3.5277 3.5277 4.2671 4.2671 4.3682 4.3682 4.6692 4.6692 4.8608 4.8608 5.1520 5.1520 5.4232 5.4232 5.8671 5.8671 7.5449 7.5449 7.8561 7.8561 8.1215 8.1215 9.3573 9.3573 k =-0.1450 0.1271 0.1928 ( 6145 PWs) bands (ev): -21.1906 -21.1906 -21.1700 -21.1700 -7.9146 -7.9146 -7.8461 -7.8461 -6.0550 -6.0550 -6.0257 -6.0257 -5.8557 -5.8557 -5.8134 -5.8134 -5.2488 -5.2488 -4.9020 -4.9020 -3.1869 -3.1869 -3.0128 -3.0128 2.2887 2.2887 2.3726 2.3726 3.5393 3.5393 4.2264 4.2264 4.3402 4.3402 4.6520 4.6520 4.8343 4.8343 5.1669 5.1669 5.4174 5.4174 5.9295 5.9295 7.5712 7.5712 7.9094 7.9094 8.1396 8.1396 9.4020 9.4020 k =-0.1339 0.1173 0.1780 ( 6153 PWs) bands (ev): -21.1908 -21.1908 -21.1698 -21.1698 -7.9142 -7.9142 -7.8436 -7.8436 -6.0473 -6.0473 -6.0129 -6.0129 -5.8582 -5.8582 -5.8107 -5.8107 -5.2823 -5.2823 -4.8917 -4.8917 -3.1851 -3.1851 -3.0295 -3.0295 2.2828 2.2828 2.4205 2.4205 3.5462 3.5462 4.1790 4.1790 4.3050 4.3050 4.6399 4.6399 4.8120 4.8120 5.1842 5.1842 5.4118 5.4118 5.9898 5.9898 7.5960 7.5960 7.9528 7.9528 8.1783 8.1783 9.4497 9.4497 k =-0.1227 0.1075 0.1632 ( 6153 PWs) bands (ev): -21.1910 -21.1910 -21.1697 -21.1697 -7.9138 -7.9138 -7.8412 -7.8412 -6.0403 -6.0403 -5.9994 -5.9994 -5.8606 -5.8606 -5.8081 -5.8081 -5.3158 -5.3158 -4.8808 -4.8808 -3.1832 -3.1832 -3.0464 -3.0464 2.2788 2.2788 2.4727 2.4727 3.5485 3.5485 4.1276 4.1276 4.2630 4.2630 4.6327 4.6327 4.7935 4.7935 5.2036 5.2036 5.4064 5.4064 6.0465 6.0465 7.6179 7.6179 7.9888 7.9888 8.2347 8.2347 9.5001 9.5001 k =-0.1116 0.0978 0.1483 ( 6151 PWs) bands (ev): -21.1911 -21.1911 -21.1695 -21.1695 -7.9135 -7.9135 -7.8389 -7.8389 -6.0341 -6.0341 -5.9851 -5.9851 -5.8628 -5.8628 -5.8055 -5.8055 -5.3491 -5.3491 -4.8694 -4.8694 -3.1812 -3.1812 -3.0633 -3.0633 2.2771 2.2771 2.5283 2.5283 3.5461 3.5461 4.0747 4.0747 4.2150 4.2150 4.6295 4.6295 4.7784 4.7784 5.2244 5.2244 5.4012 5.4012 6.0988 6.0988 7.6359 7.6359 8.0234 8.0234 8.3026 8.3026 9.5527 9.5527 k =-0.1004 0.0880 0.1335 ( 6151 PWs) bands (ev): -21.1913 -21.1913 -21.1694 -21.1694 -7.9132 -7.9132 -7.8368 -7.8368 -6.0286 -6.0286 -5.9700 -5.9700 -5.8648 -5.8648 -5.8030 -5.8030 -5.3819 -5.3819 -4.8577 -4.8577 -3.1793 -3.1793 -3.0799 -3.0799 2.2777 2.2777 2.5868 2.5868 3.5391 3.5391 4.0227 4.0227 4.1623 4.1623 4.6291 4.6291 4.7664 4.7664 5.2460 5.2460 5.3963 5.3963 6.1458 6.1458 7.6495 7.6495 8.0607 8.0607 8.3763 8.3763 9.6070 9.6070 k =-0.0893 0.0782 0.1187 ( 6147 PWs) bands (ev): -21.1914 -21.1914 -21.1693 -21.1693 -7.9130 -7.9130 -7.8348 -7.8348 -6.0240 -6.0240 -5.9543 -5.9543 -5.8666 -5.8666 -5.8005 -5.8005 -5.4140 -5.4140 -4.8461 -4.8461 -3.1774 -3.1774 -3.0959 -3.0959 2.2803 2.2803 2.6476 2.6476 3.5276 3.5276 3.9730 3.9730 4.1069 4.1069 4.6307 4.6307 4.7570 4.7570 5.2676 5.2676 5.3918 5.3918 6.1873 6.1873 7.6589 7.6589 8.1020 8.1020 8.4522 8.4522 9.6621 9.6621 k =-0.0781 0.0684 0.1038 ( 6169 PWs) bands (ev): -21.1915 -21.1915 -21.1692 -21.1692 -7.9128 -7.9128 -7.8330 -7.8330 -6.0200 -6.0200 -5.9384 -5.9384 -5.8682 -5.8682 -5.7980 -5.7980 -5.4451 -5.4451 -4.8349 -4.8349 -3.1757 -3.1757 -3.1110 -3.1110 2.2844 2.2844 2.7101 2.7101 3.5117 3.5117 3.9262 3.9262 4.0512 4.0512 4.6336 4.6336 4.7498 4.7498 5.2885 5.2885 5.3878 5.3878 6.2231 6.2231 7.6648 7.6648 8.1466 8.1466 8.5280 8.5280 9.7172 9.7172 k =-0.0669 0.0587 0.0890 ( 6181 PWs) bands (ev): -21.1917 -21.1917 -21.1691 -21.1691 -7.9127 -7.9127 -7.8314 -7.8314 -6.0167 -6.0167 -5.9224 -5.9224 -5.8696 -5.8696 -5.7955 -5.7955 -5.4747 -5.4747 -4.8243 -4.8243 -3.1743 -3.1743 -3.1248 -3.1248 2.2897 2.2897 2.7736 2.7736 3.4919 3.4919 3.8819 3.8819 3.9982 3.9982 4.6371 4.6371 4.7442 4.7442 5.3079 5.3079 5.3845 5.3845 6.2533 6.2533 7.6680 7.6680 8.1926 8.1926 8.6017 8.6017 9.7711 9.7711 k =-0.0558 0.0489 0.0742 ( 6161 PWs) bands (ev): -21.1917 -21.1917 -21.1690 -21.1690 -7.9126 -7.9126 -7.8300 -7.8300 -6.0140 -6.0140 -5.9070 -5.9070 -5.8708 -5.8708 -5.7928 -5.7928 -5.5024 -5.5024 -4.8148 -4.8148 -3.1731 -3.1731 -3.1369 -3.1369 2.2956 2.2956 2.8369 2.8369 3.4690 3.4690 3.8387 3.8387 3.9520 3.9520 4.6408 4.6408 4.7400 4.7400 5.3250 5.3250 5.3821 5.3821 6.2782 6.2782 7.6694 7.6694 8.2377 8.2377 8.6714 8.6714 9.8220 9.8220 k =-0.0446 0.0391 0.0593 ( 6167 PWs) bands (ev): -21.1918 -21.1918 -21.1690 -21.1690 -7.9125 -7.9125 -7.8288 -7.8288 -6.0118 -6.0118 -5.8927 -5.8927 -5.8717 -5.8717 -5.7900 -5.7900 -5.5274 -5.5274 -4.8065 -4.8065 -3.1724 -3.1724 -3.1471 -3.1471 2.3016 2.3016 2.8986 2.8986 3.4438 3.4438 3.7960 3.7960 3.9153 3.9153 4.6444 4.6444 4.7368 4.7368 5.3388 5.3388 5.3811 5.3811 6.2979 6.2979 7.6697 7.6697 8.2793 8.2793 8.7350 8.7350 9.8676 9.8676 k =-0.0335 0.0293 0.0445 ( 6179 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9124 -7.9124 -7.8279 -7.8279 -6.0102 -6.0102 -5.8803 -5.8803 -5.8725 -5.8725 -5.7869 -5.7869 -5.5491 -5.5491 -4.7998 -4.7998 -3.1722 -3.1722 -3.1548 -3.1548 2.3069 2.3069 2.9563 2.9563 3.4176 3.4176 3.7559 3.7559 3.8891 3.8891 4.6475 4.6475 4.7345 4.7345 5.3483 5.3483 5.3820 5.3820 6.3128 6.3128 7.6694 7.6694 8.3148 8.3148 8.7899 8.7899 9.9042 9.9042 k =-0.0223 0.0196 0.0297 ( 6171 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9124 -7.9124 -7.8272 -7.8272 -6.0090 -6.0090 -5.8731 -5.8731 -5.8707 -5.8707 -5.7840 -5.7840 -5.5661 -5.5661 -4.7949 -4.7949 -3.1729 -3.1729 -3.1598 -3.1598 2.3112 2.3112 3.0060 3.0060 3.3925 3.3925 3.7225 3.7225 3.8719 3.8719 4.6498 4.6498 4.7329 4.7329 5.3536 5.3536 5.3844 5.3844 6.3233 6.3233 7.6689 7.6689 8.3420 8.3420 8.8329 8.8329 9.9274 9.9274 k =-0.0112 0.0098 0.0148 ( 6149 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9123 -7.9123 -7.8268 -7.8268 -6.0084 -6.0084 -5.8734 -5.8734 -5.8647 -5.8647 -5.7817 -5.7817 -5.5771 -5.5771 -4.7918 -4.7918 -3.1740 -3.1740 -3.1621 -3.1621 2.3140 2.3140 3.0415 3.0415 3.3729 3.3729 3.7004 3.7004 3.8622 3.8622 4.6513 4.6513 4.7320 4.7320 5.3558 5.3558 5.3869 5.3869 6.3295 6.3295 7.6685 7.6685 8.3590 8.3590 8.8606 8.8606 9.9358 9.9358 k = 0.0000 0.0000 0.0000 ( 6157 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9123 -7.9123 -7.8267 -7.8267 -6.0081 -6.0081 -5.8735 -5.8735 -5.8626 -5.8626 -5.7808 -5.7808 -5.5809 -5.5809 -4.7908 -4.7908 -3.1745 -3.1745 -3.1628 -3.1628 2.3149 2.3149 3.0547 3.0547 3.3652 3.3652 3.6926 3.6926 3.8591 3.8591 4.6519 4.6519 4.7317 4.7317 5.3564 5.3564 5.3879 5.3879 6.3315 6.3315 7.6683 7.6683 8.3648 8.3648 8.8702 8.8702 9.9369 9.9369 k = 0.0000 0.0000 0.0000 ( 6157 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9123 -7.9123 -7.8267 -7.8267 -6.0081 -6.0081 -5.8735 -5.8735 -5.8626 -5.8626 -5.7808 -5.7808 -5.5809 -5.5809 -4.7908 -4.7908 -3.1745 -3.1745 -3.1628 -3.1628 2.3149 2.3149 3.0547 3.0547 3.3652 3.3652 3.6926 3.6926 3.8591 3.8591 4.6519 4.6519 4.7317 4.7317 5.3564 5.3564 5.3879 5.3879 6.3315 6.3315 7.6683 7.6683 8.3648 8.3648 8.8702 8.8702 9.9369 9.9369 k = 0.0139 0.0159-0.0000 ( 6161 PWs) bands (ev): -21.1919 -21.1919 -21.1689 -21.1689 -7.9123 -7.9123 -7.8269 -7.8269 -6.0079 -6.0079 -5.8745 -5.8745 -5.8619 -5.8619 -5.7861 -5.7861 -5.5754 -5.5754 -4.7910 -4.7910 -3.1741 -3.1741 -3.1621 -3.1621 2.3152 2.3152 3.0555 3.0555 3.3658 3.3658 3.6921 3.6921 3.8601 3.8601 4.6461 4.6461 4.7291 4.7291 5.3566 5.3566 5.3880 5.3880 6.3322 6.3322 7.6745 7.6745 8.3642 8.3642 8.8685 8.8685 9.9371 9.9371 k = 0.0278 0.0317-0.0000 ( 6169 PWs) bands (ev): -21.1918 -21.1918 -21.1690 -21.1690 -7.9121 -7.9121 -7.8275 -7.8275 -6.0071 -6.0071 -5.8771 -5.8771 -5.8602 -5.8602 -5.8003 -5.8003 -5.5603 -5.5603 -4.7917 -4.7917 -3.1729 -3.1729 -3.1602 -3.1602 2.3160 2.3160 3.0576 3.0576 3.3678 3.3678 3.6904 3.6904 3.8632 3.8632 4.6289 4.6289 4.7214 4.7214 5.3572 5.3572 5.3884 5.3884 6.3342 6.3342 7.6928 7.6928 8.3625 8.3625 8.8633 8.8633 9.9372 9.9372 k = 0.0417 0.0476-0.0000 ( 6169 PWs) bands (ev): -21.1917 -21.1917 -21.1691 -21.1691 -7.9118 -7.9118 -7.8284 -7.8284 -6.0059 -6.0059 -5.8808 -5.8808 -5.8581 -5.8581 -5.8206 -5.8206 -5.5385 -5.5385 -4.7928 -4.7928 -3.1709 -3.1709 -3.1570 -3.1570 2.3173 2.3173 3.0612 3.0612 3.3709 3.3709 3.6876 3.6876 3.8684 3.8684 4.6010 4.6010 4.7086 4.7086 5.3583 5.3583 5.3890 5.3890 6.3376 6.3376 7.7227 7.7227 8.3598 8.3598 8.8549 8.8549 9.9257 9.9258 k = 0.0556 0.0634-0.0000 ( 6145 PWs) bands (ev): -21.1914 -21.1914 -21.1693 -21.1693 -7.9115 -7.9115 -7.8298 -7.8298 -6.0041 -6.0041 -5.8851 -5.8851 -5.8559 -5.8559 -5.8443 -5.8443 -5.5127 -5.5127 -4.7943 -4.7943 -3.1682 -3.1682 -3.1526 -3.1526 2.3193 2.3193 3.0661 3.0661 3.3750 3.3750 3.6836 3.6836 3.8759 3.8759 4.5633 4.5633 4.6907 4.6907 5.3597 5.3597 5.3899 5.3899 6.3423 6.3423 7.7633 7.7633 8.3563 8.3563 8.8437 8.8437 9.8671 9.8671 k = 0.0694 0.0793-0.0000 ( 6133 PWs) bands (ev): -21.1911 -21.1911 -21.1696 -21.1696 -7.9110 -7.9110 -7.8314 -7.8314 -6.0019 -6.0019 -5.8902 -5.8902 -5.8700 -5.8700 -5.8536 -5.8536 -5.4843 -5.4843 -4.7962 -4.7962 -3.1647 -3.1647 -3.1470 -3.1470 2.3218 2.3218 3.0722 3.0722 3.3798 3.3798 3.6784 3.6784 3.8857 3.8857 4.5169 4.5169 4.6681 4.6681 5.3616 5.3616 5.3911 5.3911 6.3483 6.3483 7.8136 7.8136 8.3525 8.3525 8.8300 8.8300 9.7948 9.7948 k = 0.0833 0.0951-0.0000 ( 6133 PWs) bands (ev): -21.1908 -21.1908 -21.1699 -21.1699 -7.9105 -7.9105 -7.8335 -7.8335 -5.9992 -5.9992 -5.8965 -5.8965 -5.8958 -5.8958 -5.8512 -5.8512 -5.4544 -5.4544 -4.7986 -4.7986 -3.1605 -3.1605 -3.1403 -3.1403 2.3250 2.3250 3.0795 3.0795 3.3851 3.3851 3.6719 3.6719 3.8982 3.8982 4.4631 4.4631 4.6409 4.6409 5.3639 5.3639 5.3925 5.3925 6.3557 6.3557 7.8720 7.8720 8.3490 8.3490 8.8145 8.8145 9.7132 9.7132 k = 0.0972 0.1110-0.0000 ( 6141 PWs) bands (ev): -21.1904 -21.1904 -21.1703 -21.1703 -7.9099 -7.9099 -7.8359 -7.8359 -5.9961 -5.9961 -5.9233 -5.9233 -5.9021 -5.9021 -5.8486 -5.8486 -5.4237 -5.4237 -4.8013 -4.8013 -3.1557 -3.1557 -3.1325 -3.1325 2.3289 2.3289 3.0879 3.0879 3.3903 3.3903 3.6641 3.6641 3.9134 3.9134 4.4034 4.4034 4.6095 4.6095 5.3667 5.3667 5.3941 5.3941 6.3642 6.3642 7.9369 7.9369 8.3467 8.3467 8.7976 8.7976 9.6255 9.6255 k = 0.1111 0.1268-0.0000 ( 6133 PWs) bands (ev): -21.1899 -21.1899 -21.1708 -21.1708 -7.9093 -7.9093 -7.8387 -7.8387 -5.9928 -5.9928 -5.9496 -5.9496 -5.9090 -5.9090 -5.8460 -5.8460 -5.3924 -5.3924 -4.8044 -4.8044 -3.1502 -3.1502 -3.1237 -3.1237 2.3336 2.3336 3.0971 3.0971 3.3953 3.3953 3.6549 3.6549 3.9314 3.9314 4.3391 4.3391 4.5743 4.5743 5.3700 5.3700 5.3960 5.3960 6.3741 6.3741 8.0060 8.0060 8.3473 8.3473 8.7798 8.7798 9.5340 9.5340 k = 0.1250 0.1427-0.0000 ( 6133 PWs) bands (ev): -21.1894 -21.1894 -21.1712 -21.1712 -7.9086 -7.9086 -7.8418 -7.8418 -5.9914 -5.9914 -5.9734 -5.9734 -5.9164 -5.9164 -5.8432 -5.8432 -5.3608 -5.3608 -4.8078 -4.8078 -3.1441 -3.1441 -3.1140 -3.1140 2.3391 2.3391 3.1070 3.1070 3.3998 3.3998 3.6440 3.6440 3.9524 3.9524 4.2716 4.2716 4.5355 4.5355 5.3737 5.3737 5.3982 5.3982 6.3851 6.3851 8.0754 8.0754 8.3540 8.3540 8.7618 8.7618 9.4405 9.4405 k = 0.1389 0.1585-0.0000 ( 6137 PWs) bands (ev): -21.1889 -21.1889 -21.1718 -21.1718 -7.9078 -7.9078 -7.8452 -7.8452 -6.0064 -6.0064 -5.9799 -5.9799 -5.9243 -5.9243 -5.8403 -5.8403 -5.3292 -5.3292 -4.8115 -4.8115 -3.1374 -3.1374 -3.1035 -3.1035 2.3453 2.3453 3.1174 3.1174 3.4035 3.4035 3.6312 3.6312 3.9764 3.9764 4.2024 4.2024 4.4938 4.4938 5.3780 5.3780 5.4006 5.4006 6.3972 6.3972 8.1383 8.1383 8.3732 8.3732 8.7438 8.7438 9.3466 9.3466 k = 0.1528 0.1744-0.0000 ( 6129 PWs) bands (ev): -21.1883 -21.1883 -21.1723 -21.1723 -7.9071 -7.9071 -7.8489 -7.8489 -6.0306 -6.0306 -5.9760 -5.9760 -5.9326 -5.9326 -5.8373 -5.8373 -5.2977 -5.2977 -4.8155 -4.8155 -3.1303 -3.1303 -3.0922 -3.0922 2.3525 2.3525 3.1279 3.1279 3.4062 3.4062 3.6163 3.6163 4.0032 4.0032 4.1328 4.1328 4.4495 4.4495 5.3826 5.3826 5.4032 5.4032 6.4105 6.4105 8.1850 8.1850 8.4141 8.4141 8.7263 8.7263 9.2534 9.2534 k = 0.1667 0.1902-0.0000 ( 6133 PWs) bands (ev): -21.1876 -21.1876 -21.1729 -21.1729 -7.9063 -7.9063 -7.8529 -7.8529 -6.0550 -6.0550 -5.9708 -5.9708 -5.9413 -5.9413 -5.8341 -5.8341 -5.2664 -5.2664 -4.8197 -4.8197 -3.1228 -3.1228 -3.0804 -3.0804 2.3605 2.3605 3.1382 3.1382 3.4079 3.4079 3.5988 3.5988 4.0328 4.0328 4.0645 4.0645 4.4031 4.4031 5.3878 5.3878 5.4061 5.4061 6.4247 6.4247 8.2115 8.2115 8.4807 8.4807 8.7097 8.7097 9.1620 9.1620 k = 0.1806 0.2061-0.0000 ( 6133 PWs) bands (ev): -21.1870 -21.1870 -21.1736 -21.1736 -7.9056 -7.9056 -7.8571 -7.8571 -6.0789 -6.0789 -5.9649 -5.9649 -5.9503 -5.9503 -5.8309 -5.8309 -5.2355 -5.2355 -4.8242 -4.8242 -3.1148 -3.1148 -3.0680 -3.0680 2.3693 2.3693 3.1478 3.1478 3.4084 3.4084 3.5783 3.5783 3.9989 3.9989 4.0648 4.0648 4.3551 4.3551 5.3934 5.3934 5.4091 5.4091 6.4399 6.4399 8.2237 8.2237 8.5666 8.5666 8.6941 8.6941 9.0732 9.0732 k = 0.1944 0.2219-0.0000 ( 6137 PWs) bands (ev): -21.1863 -21.1863 -21.1742 -21.1742 -7.9048 -7.9048 -7.8616 -7.8616 -6.1020 -6.1020 -5.9596 -5.9596 -5.9586 -5.9586 -5.8275 -5.8275 -5.2050 -5.2050 -4.8288 -4.8288 -3.1066 -3.1066 -3.0552 -3.0552 2.3791 2.3791 3.1560 3.1560 3.4079 3.4079 3.5544 3.5544 3.9377 3.9377 4.0991 4.0991 4.3060 4.3060 5.3994 5.3994 5.4124 5.4124 6.4560 6.4560 8.2287 8.2287 8.6648 8.6648 8.6798 8.6798 8.9880 8.9880 k = 0.2083 0.2378-0.0000 ( 6141 PWs) bands (ev): -21.1856 -21.1856 -21.1749 -21.1749 -7.9042 -7.9042 -7.8662 -7.8662 -6.1242 -6.1242 -5.9691 -5.9691 -5.9520 -5.9520 -5.8241 -5.8241 -5.1750 -5.1750 -4.8335 -4.8335 -3.0982 -3.0982 -3.0421 -3.0421 2.3896 2.3896 3.1620 3.1620 3.4063 3.4063 3.5270 3.5270 3.8823 3.8823 4.1351 4.1351 4.2563 4.2563 5.4058 5.4058 5.4159 5.4159 6.4729 6.4729 8.2306 8.2306 8.6669 8.6669 8.7709 8.7709 8.9071 8.9071 k = 0.2222 0.2536-0.0000 ( 6149 PWs) bands (ev): -21.1848 -21.1848 -21.1756 -21.1756 -7.9035 -7.9035 -7.8710 -7.8710 -6.1454 -6.1454 -5.9786 -5.9786 -5.9450 -5.9450 -5.8206 -5.8206 -5.1457 -5.1457 -4.8384 -4.8384 -3.0895 -3.0895 -3.0288 -3.0288 2.4009 2.4009 3.1644 3.1644 3.4038 3.4038 3.4968 3.4968 3.8337 3.8337 4.1726 4.1726 4.2067 4.2067 5.4125 5.4125 5.4195 5.4195 6.4905 6.4905 8.2313 8.2313 8.6552 8.6552 8.8315 8.8315 8.8832 8.8832 k = 0.2361 0.2695-0.0000 ( 6165 PWs) bands (ev): -21.1841 -21.1841 -21.1763 -21.1763 -7.9030 -7.9030 -7.8759 -7.8759 -6.1656 -6.1656 -5.9882 -5.9882 -5.9377 -5.9377 -5.8170 -5.8170 -5.1171 -5.1171 -4.8433 -4.8433 -3.0808 -3.0808 -3.0154 -3.0154 2.4130 2.4130 3.1616 3.1616 3.4004 3.4004 3.4654 3.4654 3.7922 3.7922 4.1575 4.1575 4.2111 4.2111 5.4196 5.4196 5.4233 5.4233 6.5086 6.5086 8.2316 8.2316 8.6440 8.6440 8.7624 8.7624 9.0004 9.0004 k = 0.2500 0.2853-0.0000 ( 6164 PWs) bands (ev): -21.1833 -21.1833 -21.1770 -21.1770 -7.9026 -7.9026 -7.8808 -7.8808 -6.1848 -6.1848 -5.9978 -5.9978 -5.9302 -5.9302 -5.8135 -5.8135 -5.0893 -5.0893 -4.8482 -4.8482 -3.0720 -3.0720 -3.0020 -3.0020 2.4258 2.4258 3.1515 3.1515 3.3963 3.3963 3.4357 3.4357 3.7573 3.7573 4.1095 4.1095 4.2502 4.2502 5.4269 5.4269 5.4272 5.4272 6.5272 6.5272 8.2322 8.2322 8.6308 8.6308 8.7030 8.7030 9.1221 9.1221 k = 0.2639 0.3012-0.0000 ( 6132 PWs) bands (ev): -21.1826 -21.1826 -21.1778 -21.1778 -7.9025 -7.9025 -7.8856 -7.8856 -6.2030 -6.2030 -6.0073 -6.0073 -5.9226 -5.9226 -5.8099 -5.8099 -5.0624 -5.0624 -4.8531 -4.8531 -3.0633 -3.0633 -2.9887 -2.9887 2.4391 2.4391 3.1322 3.1322 3.3916 3.3916 3.4106 3.4106 3.7279 3.7279 4.0631 4.0631 4.2893 4.2893 5.4312 5.4312 5.4345 5.4345 6.5462 6.5462 8.2333 8.2333 8.6062 8.6062 8.6632 8.6632 9.2478 9.2478 k = 0.2778 0.3170-0.0000 ( 6144 PWs) bands (ev): -21.1818 -21.1818 -21.1785 -21.1785 -7.9028 -7.9028 -7.8900 -7.8900 -6.2200 -6.2200 -6.0166 -6.0166 -5.9149 -5.9149 -5.8064 -5.8064 -5.0364 -5.0364 -4.8580 -4.8580 -3.0546 -3.0546 -2.9756 -2.9756 2.4529 2.4529 3.1034 3.1034 3.3864 3.3864 3.3919 3.3919 3.7029 3.7029 4.0189 4.0189 4.3281 4.3281 5.4352 5.4352 5.4423 5.4423 6.5653 6.5653 8.2350 8.2350 8.5664 8.5664 8.6473 8.6473 9.3773 9.3773 k = 0.2917 0.3329-0.0000 ( 6124 PWs) bands (ev): -21.1811 -21.1811 -21.1792 -21.1792 -7.9039 -7.9039 -7.8936 -7.8936 -6.2360 -6.2360 -6.0256 -6.0256 -5.9072 -5.9072 -5.8030 -5.8030 -5.0115 -5.0115 -4.8628 -4.8628 -3.0461 -3.0461 -2.9628 -2.9628 2.4670 2.4670 3.0664 3.0664 3.3790 3.3790 3.3809 3.3809 3.6814 3.6814 3.9775 3.9775 4.3661 4.3661 5.4392 5.4392 5.4501 5.4501 6.5845 6.5845 8.2373 8.2373 8.5255 8.5255 8.6414 8.6414 9.5102 9.5102 k = 0.3056 0.3487-0.0000 ( 6108 PWs) bands (ev): -21.1803 -21.1803 -21.1798 -21.1798 -7.9066 -7.9066 -7.8957 -7.8957 -6.2509 -6.2509 -6.0344 -6.0344 -5.8995 -5.8995 -5.7996 -5.7996 -4.9877 -4.9877 -4.8674 -4.8674 -3.0378 -3.0378 -2.9504 -2.9504 2.4814 2.4814 3.0240 3.0240 3.3702 3.3702 3.3751 3.3751 3.6624 3.6624 3.9395 3.9395 4.4030 4.4030 5.4432 5.4432 5.4580 5.4580 6.6035 6.6035 8.2402 8.2402 8.4900 8.4900 8.6393 8.6393 9.6464 9.6464 k = 0.3194 0.3646-0.0000 ( 6100 PWs) bands (ev): -21.1805 -21.1805 -21.1797 -21.1797 -7.9104 -7.9104 -7.8967 -7.8967 -6.2648 -6.2648 -6.0428 -6.0428 -5.8919 -5.8919 -5.7963 -5.7963 -4.9652 -4.9652 -4.8719 -4.8719 -3.0298 -3.0298 -2.9385 -2.9385 2.4959 2.4959 2.9787 2.9787 3.3636 3.3636 3.3692 3.3692 3.6453 3.6453 3.9054 3.9054 4.4382 4.4382 5.4471 5.4471 5.4659 5.4659 6.6223 6.6223 8.2436 8.2436 8.4618 8.4618 8.6394 8.6394 9.7854 9.7854 k = 0.3333 0.3804-0.0000 ( 6108 PWs) bands (ev): -21.1811 -21.1811 -21.1790 -21.1790 -7.9147 -7.9147 -7.8970 -7.8970 -6.2775 -6.2775 -6.0509 -6.0509 -5.8845 -5.8845 -5.7931 -5.7931 -4.9439 -4.9439 -4.8762 -4.8762 -3.0222 -3.0222 -2.9272 -2.9272 2.5102 2.5102 2.9326 2.9326 3.3576 3.3576 3.3633 3.3633 3.6299 3.6299 3.8754 3.8754 4.4715 4.4715 5.4509 5.4509 5.4736 5.4736 6.6407 6.6407 8.2474 8.2474 8.4417 8.4417 8.6410 8.6410 9.9162 9.9226 k = 0.3472 0.3963-0.0000 ( 6100 PWs) bands (ev): -21.1817 -21.1817 -21.1784 -21.1784 -7.9190 -7.9190 -7.8971 -7.8971 -6.2892 -6.2892 -6.0584 -6.0584 -5.8774 -5.8774 -5.7901 -5.7901 -4.9240 -4.9240 -4.8803 -4.8803 -3.0149 -3.0149 -2.9165 -2.9165 2.5244 2.5244 2.8873 2.8873 3.3511 3.3511 3.3574 3.3574 3.6158 3.6158 3.8498 3.8498 4.5027 4.5027 5.4545 5.4545 5.4812 5.4812 6.6584 6.6584 8.2516 8.2516 8.4300 8.4300 8.6438 8.6438 9.8248 9.8248 k = 0.3611 0.4121-0.0000 ( 6084 PWs) bands (ev): -21.1823 -21.1823 -21.1777 -21.1777 -7.9233 -7.9233 -7.8971 -7.8971 -6.2998 -6.2998 -6.0655 -6.0655 -5.8706 -5.8706 -5.7873 -5.7873 -4.9056 -4.9056 -4.8842 -4.8842 -3.0081 -3.0081 -2.9065 -2.9065 2.5381 2.5381 2.8439 2.8439 3.3435 3.3435 3.3518 3.3518 3.6031 3.6031 3.8287 3.8287 4.5314 4.5314 5.4578 5.4578 5.4884 5.4884 6.6753 6.6753 8.2559 8.2559 8.4269 8.4269 8.6474 8.6474 9.7324 9.7324 k = 0.3750 0.4280-0.0000 ( 6088 PWs) bands (ev): -21.1828 -21.1828 -21.1772 -21.1772 -7.9274 -7.9274 -7.8970 -7.8970 -6.3093 -6.3093 -6.0720 -6.0720 -5.8641 -5.8641 -5.7847 -5.7847 -4.8887 -4.8887 -4.8877 -4.8877 -3.0018 -3.0018 -2.8972 -2.8972 2.5513 2.5513 2.8030 2.8030 3.3348 3.3348 3.3464 3.3464 3.5917 3.5917 3.8116 3.8116 4.5574 4.5574 5.4610 5.4610 5.4953 5.4953 6.6913 6.6913 8.2603 8.2603 8.4325 8.4325 8.6516 8.6516 9.6392 9.6392 k = 0.3889 0.4438-0.0000 ( 6112 PWs) bands (ev): -21.1833 -21.1833 -21.1767 -21.1767 -7.9312 -7.9312 -7.8970 -7.8970 -6.3178 -6.3178 -6.0780 -6.0780 -5.8582 -5.8582 -5.7823 -5.7823 -4.8910 -4.8910 -4.8733 -4.8733 -2.9960 -2.9960 -2.8888 -2.8888 2.5637 2.5637 2.7654 2.7654 3.3250 3.3250 3.3413 3.3413 3.5816 3.5816 3.7983 3.7983 4.5807 4.5807 5.4638 5.4638 5.5018 5.5018 6.7061 6.7061 8.2646 8.2646 8.4468 8.4468 8.6562 8.6562 9.5457 9.5457 k = 0.4028 0.4597-0.0000 ( 6120 PWs) bands (ev): -21.1837 -21.1837 -21.1762 -21.1762 -7.9347 -7.9347 -7.8969 -7.8969 -6.3252 -6.3252 -6.0833 -6.0833 -5.8528 -5.8528 -5.7801 -5.7801 -4.8939 -4.8939 -4.8596 -4.8596 -2.9908 -2.9908 -2.8812 -2.8812 2.5751 2.5751 2.7314 2.7314 3.3146 3.3146 3.3366 3.3366 3.5728 3.5728 3.7883 3.7883 4.6012 4.6012 5.4663 5.4663 5.5077 5.5077 6.7196 6.7196 8.2687 8.2687 8.4696 8.4696 8.6610 8.6610 9.4523 9.4523 k = 0.4167 0.4756-0.0000 ( 6108 PWs) bands (ev): -21.1841 -21.1841 -21.1758 -21.1758 -7.9377 -7.9377 -7.8969 -7.8969 -6.3317 -6.3317 -6.0880 -6.0880 -5.8480 -5.8480 -5.7782 -5.7782 -4.8965 -4.8965 -4.8476 -4.8476 -2.9862 -2.9862 -2.8746 -2.8746 2.5855 2.5855 2.7014 2.7014 3.3041 3.3041 3.3324 3.3324 3.5653 3.5653 3.7809 3.7809 4.6188 4.6188 5.4685 5.4685 5.5130 5.5130 6.7316 6.7316 8.2726 8.2726 8.5005 8.5005 8.6659 8.6659 9.3596 9.3596 k = 0.4306 0.4914-0.0000 ( 6120 PWs) bands (ev): -21.1844 -21.1844 -21.1755 -21.1755 -7.9404 -7.9404 -7.8969 -7.8969 -6.3371 -6.3371 -6.0920 -6.0920 -5.8438 -5.8438 -5.7765 -5.7765 -4.8987 -4.8987 -4.8373 -4.8373 -2.9823 -2.9823 -2.8689 -2.8689 2.5945 2.5945 2.6757 2.6757 3.2940 3.2940 3.3288 3.3288 3.5591 3.5591 3.7756 3.7756 4.6336 4.6336 5.4704 5.4704 5.5177 5.5177 6.7421 6.7421 8.2760 8.2760 8.5389 8.5389 8.6709 8.6709 9.2681 9.2681 k = 0.4444 0.5073-0.0000 ( 6104 PWs) bands (ev): -21.1847 -21.1847 -21.1752 -21.1752 -7.9427 -7.9427 -7.8969 -7.8969 -6.3415 -6.3415 -6.0953 -6.0953 -5.8403 -5.8403 -5.7752 -5.7752 -4.9005 -4.9005 -4.8289 -4.8289 -2.9790 -2.9790 -2.8642 -2.8642 2.6021 2.6021 2.6543 2.6543 3.2851 3.2851 3.3257 3.3257 3.5540 3.5540 3.7720 3.7720 4.6455 4.6455 5.4719 5.4719 5.5216 5.5216 6.7508 6.7508 8.2789 8.2789 8.5835 8.5835 8.6767 8.6767 9.1784 9.1784 k = 0.4583 0.5231-0.0000 ( 6084 PWs) bands (ev): -21.1849 -21.1849 -21.1749 -21.1749 -7.9444 -7.9444 -7.8968 -7.8968 -6.3449 -6.3449 -6.0979 -6.0979 -5.8375 -5.8375 -5.7741 -5.7741 -4.9020 -4.9020 -4.8223 -4.8223 -2.9765 -2.9765 -2.8605 -2.8605 2.6082 2.6082 2.6376 2.6376 3.2776 3.2776 3.3233 3.3233 3.5502 3.5502 3.7696 3.7696 4.6548 4.6548 5.4731 5.4731 5.5246 5.5246 6.7577 6.7577 8.2812 8.2812 8.6299 8.6299 8.6872 8.6872 9.0911 9.0911 k = 0.4722 0.5390-0.0000 ( 6068 PWs) bands (ev): -21.1851 -21.1851 -21.1748 -21.1748 -7.9457 -7.9457 -7.8968 -7.8968 -6.3474 -6.3474 -6.0998 -6.0998 -5.8355 -5.8355 -5.7733 -5.7733 -4.9030 -4.9030 -4.8175 -4.8175 -2.9746 -2.9746 -2.8579 -2.8579 2.6127 2.6127 2.6255 2.6255 3.2719 3.2719 3.3216 3.3216 3.5475 3.5475 3.7681 3.7681 4.6613 4.6613 5.4740 5.4740 5.5269 5.5269 6.7627 6.7627 8.2829 8.2829 8.6598 8.6598 8.7198 8.7198 9.0069 9.0069 k = 0.4861 0.5548-0.0000 ( 6068 PWs) bands (ev): -21.1852 -21.1852 -21.1747 -21.1747 -7.9464 -7.9464 -7.8968 -7.8968 -6.3488 -6.3488 -6.1009 -6.1009 -5.8343 -5.8343 -5.7729 -5.7729 -4.9036 -4.9036 -4.8147 -4.8147 -2.9735 -2.9735 -2.8563 -2.8563 2.6153 2.6153 2.6183 2.6183 3.2685 3.2685 3.3205 3.3205 3.5458 3.5458 3.7673 3.7673 4.6652 4.6652 5.4745 5.4745 5.5282 5.5282 6.7658 6.7658 8.2840 8.2840 8.6682 8.6682 8.7784 8.7784 8.9268 8.9268 k = 0.5000 0.5707-0.0000 ( 6068 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9467 -7.9467 -7.8968 -7.8968 -6.3493 -6.3493 -6.1013 -6.1013 -5.8339 -5.8339 -5.7727 -5.7727 -4.9038 -4.9038 -4.8137 -4.8137 -2.9732 -2.9732 -2.8557 -2.8557 2.6159 2.6159 2.6162 2.6162 3.2673 3.2673 3.3201 3.3201 3.5453 3.5453 3.7670 3.7670 4.6665 4.6665 5.4747 5.4747 5.5287 5.5287 6.7668 6.7668 8.2843 8.2843 8.6700 8.6700 8.8359 8.8359 8.8632 8.8632 k = 0.5000 0.5707-0.0000 ( 6068 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9467 -7.9467 -7.8968 -7.8968 -6.3493 -6.3493 -6.1013 -6.1013 -5.8339 -5.8339 -5.7727 -5.7727 -4.9038 -4.9038 -4.8137 -4.8137 -2.9732 -2.9732 -2.8557 -2.8557 2.6159 2.6159 2.6162 2.6162 3.2673 3.2673 3.3201 3.3201 3.5453 3.5453 3.7670 3.7670 4.6665 4.6665 5.4747 5.4747 5.5287 5.5287 6.7668 6.7668 8.2843 8.2843 8.6700 8.6700 8.8359 8.8359 8.8632 8.8632 k = 0.4891 0.5802 0.0145 ( 6068 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9466 -7.9466 -7.8968 -7.8968 -6.3489 -6.3489 -6.1014 -6.1014 -5.8340 -5.8340 -5.7728 -5.7728 -4.9034 -4.9034 -4.8142 -4.8142 -2.9735 -2.9735 -2.8563 -2.8563 2.6087 2.6087 2.6207 2.6207 3.2627 3.2627 3.3201 3.3201 3.5545 3.5545 3.7724 3.7724 4.6664 4.6664 5.4741 5.4741 5.5283 5.5283 6.7618 6.7618 8.2785 8.2785 8.6586 8.6586 8.8361 8.8361 8.8782 8.8782 k = 0.4782 0.5898 0.0290 ( 6058 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9464 -7.9464 -7.8967 -7.8967 -6.3475 -6.3475 -6.1018 -6.1018 -5.8344 -5.8344 -5.7732 -5.7732 -4.9022 -4.9022 -4.8156 -4.8156 -2.9744 -2.9744 -2.8580 -2.8580 2.5952 2.5952 2.6263 2.6263 3.2513 3.2513 3.3191 3.3191 3.5810 3.5810 3.7878 3.7878 4.6660 4.6660 5.4726 5.4726 5.5270 5.5270 6.7471 6.7471 8.2614 8.2614 8.6294 8.6294 8.8427 8.8427 8.9119 8.9119 k = 0.4673 0.5993 0.0435 ( 6068 PWs) bands (ev): -21.1853 -21.1853 -21.1746 -21.1746 -7.9460 -7.9460 -7.8964 -7.8964 -6.3453 -6.3453 -6.1025 -6.1025 -5.8350 -5.8350 -5.7739 -5.7739 -4.9002 -4.9002 -4.8179 -4.8179 -2.9761 -2.9761 -2.8605 -2.8605 2.5747 2.5747 2.6344 2.6344 3.2359 3.2359 3.3176 3.3176 3.6219 3.6219 3.8119 3.8119 4.6654 4.6654 5.4699 5.4699 5.5249 5.5249 6.7231 6.7231 8.2338 8.2338 8.5897 8.5897 8.8573 8.8573 8.9541 8.9541 k = 0.4564 0.6088 0.0580 ( 6080 PWs) bands (ev): -21.1853 -21.1853 -21.1745 -21.1745 -7.9455 -7.9455 -7.8961 -7.8961 -6.3422 -6.3422 -6.1035 -6.1035 -5.8357 -5.8357 -5.7748 -5.7748 -4.8975 -4.8975 -4.8212 -4.8212 -2.9787 -2.9787 -2.8638 -2.8638 2.5480 2.5480 2.6454 2.6454 3.2164 3.2164 3.3199 3.3199 3.6732 3.6732 3.8430 3.8430 4.6647 4.6647 5.4661 5.4661 5.5221 5.5221 6.6909 6.6909 8.1972 8.1972 8.5432 8.5432 8.8790 8.8790 9.0004 9.0004 k = 0.4455 0.6184 0.0724 ( 6084 PWs) bands (ev): -21.1854 -21.1854 -21.1745 -21.1745 -7.9448 -7.9448 -7.8958 -7.8958 -6.3383 -6.3383 -6.1046 -6.1046 -5.8366 -5.8366 -5.7759 -5.7759 -4.8943 -4.8943 -4.8252 -4.8252 -2.9826 -2.9826 -2.8673 -2.8673 2.5162 2.5162 2.6593 2.6593 3.1918 3.1918 3.3299 3.3299 3.7313 3.7313 3.8802 3.8802 4.6640 4.6640 5.4611 5.4611 5.5186 5.5186 6.6515 6.6515 8.1531 8.1531 8.4908 8.4908 8.9074 8.9074 9.0487 9.0487 k = 0.4346 0.6279 0.0869 ( 6088 PWs) bands (ev): -21.1855 -21.1855 -21.1744 -21.1744 -7.9440 -7.9440 -7.8953 -7.8953 -6.3335 -6.3335 -6.1060 -6.1060 -5.8376 -5.8376 -5.7773 -5.7773 -4.8908 -4.8908 -4.8300 -4.8300 -2.9879 -2.9879 -2.8708 -2.8708 2.4809 2.4809 2.6761 2.6761 3.1627 3.1627 3.3489 3.3489 3.7929 3.7929 3.9229 3.9229 4.6635 4.6635 5.4550 5.4550 5.5146 5.5146 6.6060 6.6060 8.1031 8.1031 8.4327 8.4327 8.9421 8.9421 9.0974 9.0974 k = 0.4237 0.6375 0.1014 ( 6094 PWs) bands (ev): -21.1856 -21.1856 -21.1743 -21.1743 -7.9431 -7.9431 -7.8947 -7.8947 -6.3278 -6.3278 -6.1075 -6.1075 -5.8387 -5.8387 -5.7789 -5.7789 -4.8871 -4.8871 -4.8355 -4.8355 -2.9948 -2.9948 -2.8739 -2.8739 2.4433 2.4433 2.6957 2.6957 3.1299 3.1299 3.3766 3.3766 3.8544 3.8544 3.9718 3.9718 4.6633 4.6633 5.4475 5.4475 5.5101 5.5101 6.5558 6.5558 8.0486 8.0486 8.3692 8.3692 8.9828 8.9828 9.1449 9.1449 k = 0.4128 0.6470 0.1159 ( 6096 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9420 -7.9420 -7.8940 -7.8940 -6.3213 -6.3213 -6.1092 -6.1092 -5.8398 -5.8398 -5.7808 -5.7808 -4.8836 -4.8836 -4.8416 -4.8416 -3.0035 -3.0035 -2.8764 -2.8764 2.4047 2.4047 2.7181 2.7181 3.0947 3.0947 3.4122 3.4122 3.9127 3.9127 4.0278 4.0278 4.6638 4.6638 5.4388 5.4388 5.5053 5.5053 6.5019 6.5019 7.9907 7.9907 8.3009 8.3009 9.0293 9.0293 9.1891 9.1891 k = 0.4128 0.6470 0.1159 ( 6096 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9420 -7.9420 -7.8940 -7.8940 -6.3213 -6.3213 -6.1092 -6.1092 -5.8398 -5.8398 -5.7808 -5.7808 -4.8836 -4.8836 -4.8416 -4.8416 -3.0035 -3.0035 -2.8764 -2.8764 2.4047 2.4047 2.7181 2.7181 3.0947 3.0947 3.4122 3.4122 3.9127 3.9127 4.0278 4.0278 4.6638 4.6638 5.4388 5.4388 5.5053 5.5053 6.5019 6.5019 7.9907 7.9907 8.3009 8.3009 9.0293 9.0293 9.1891 9.1891 k = 0.3949 0.6408 0.1253 ( 6098 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9412 -7.9412 -7.8935 -7.8935 -6.3164 -6.3164 -6.1101 -6.1101 -5.8407 -5.8407 -5.7822 -5.7822 -4.8814 -4.8814 -4.8461 -4.8461 -3.0102 -3.0102 -2.8779 -2.8779 2.3795 2.3795 2.7352 2.7352 3.0709 3.0709 3.4396 3.4396 3.9482 3.9482 4.0683 4.0683 4.6639 4.6639 5.4323 5.4323 5.5018 5.5018 6.4648 6.4648 7.9517 7.9517 8.2543 8.2543 9.0458 9.0458 9.2324 9.2324 k = 0.3769 0.6346 0.1347 ( 6104 PWs) bands (ev): -21.1858 -21.1858 -21.1742 -21.1742 -7.9400 -7.9400 -7.8930 -7.8930 -6.3106 -6.3106 -6.1105 -6.1105 -5.8422 -5.8422 -5.7840 -5.7840 -4.8796 -4.8796 -4.8515 -4.8515 -3.0176 -3.0176 -2.8797 -2.8797 2.3544 2.3544 2.7552 2.7552 3.0466 3.0466 3.4708 3.4708 3.9819 3.9819 4.1117 4.1117 4.6631 4.6631 5.4253 5.4253 5.4979 5.4979 6.4258 6.4258 7.9120 7.9120 8.2063 8.2063 9.0429 9.0429 9.2936 9.2936 k = 0.3590 0.6284 0.1441 ( 6107 PWs) bands (ev): -21.1858 -21.1858 -21.1742 -21.1742 -7.9385 -7.9385 -7.8925 -7.8925 -6.3040 -6.3040 -6.1104 -6.1104 -5.8441 -5.8441 -5.7862 -5.7862 -4.8784 -4.8784 -4.8573 -4.8573 -3.0256 -3.0256 -2.8818 -2.8818 2.3301 2.3301 2.7774 2.7774 3.0224 3.0224 3.5051 3.5051 4.0144 4.0144 4.1570 4.1570 4.6617 4.6617 5.4177 5.4177 5.4936 5.4936 6.3852 6.3852 7.8718 7.8718 8.1575 8.1575 9.0339 9.0339 9.3476 9.3476 k = 0.3410 0.6222 0.1536 ( 6118 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9368 -7.9368 -7.8919 -7.8919 -6.2966 -6.2966 -6.1099 -6.1099 -5.8464 -5.8464 -5.7888 -5.7888 -4.8785 -4.8785 -4.8628 -4.8628 -3.0340 -3.0340 -2.8844 -2.8844 2.3067 2.3067 2.8001 2.8001 2.9998 2.9998 3.5420 3.5420 4.0460 4.0460 4.2032 4.2032 4.6600 4.6600 5.4095 5.4095 5.4892 5.4892 6.3432 6.3432 7.8313 7.8313 8.1081 8.1081 9.0245 9.0245 9.3731 9.3731 k = 0.3231 0.6160 0.1630 ( 6122 PWs) bands (ev): -21.1857 -21.1857 -21.1743 -21.1743 -7.9348 -7.9348 -7.8913 -7.8913 -6.2883 -6.2883 -6.1089 -6.1089 -5.8492 -5.8492 -5.7917 -5.7917 -4.8813 -4.8813 -4.8666 -4.8666 -3.0424 -3.0424 -2.8875 -2.8875 2.2848 2.2848 2.8200 2.8200 2.9820 2.9820 3.5809 3.5809 4.0773 4.0773 4.2490 4.2490 4.6587 4.6587 5.4010 5.4010 5.4846 5.4846 6.3000 6.3000 7.7905 7.7905 8.0585 8.0585 9.0169 9.0169 9.3711 9.3711 k = 0.3051 0.6098 0.1724 ( 6119 PWs) bands (ev): -21.1856 -21.1856 -21.1745 -21.1745 -7.9326 -7.9326 -7.8908 -7.8908 -6.2794 -6.2794 -6.1074 -6.1074 -5.8525 -5.8525 -5.7951 -5.7951 -4.8871 -4.8871 -4.8683 -4.8683 -3.0505 -3.0505 -2.8910 -2.8910 2.2645 2.2645 2.8305 2.8305 2.9751 2.9751 3.6212 3.6212 4.1083 4.1083 4.2933 4.2933 4.6586 4.6586 5.3922 5.3922 5.4799 5.4799 6.2559 6.2559 7.7496 7.7496 8.0089 8.0089 9.0122 9.0122 9.3577 9.3577 k = 0.2872 0.6036 0.1818 ( 6120 PWs) bands (ev): -21.1854 -21.1854 -21.1746 -21.1746 -7.9302 -7.9302 -7.8902 -7.8902 -6.2698 -6.2698 -6.1055 -6.1055 -5.8562 -5.8562 -5.7990 -5.7990 -4.8944 -4.8944 -4.8693 -4.8693 -3.0583 -3.0583 -2.8952 -2.8952 2.2461 2.2461 2.8255 2.8255 2.9853 2.9853 3.6621 3.6621 4.1393 4.1393 4.3346 4.3346 4.6610 4.6610 5.3832 5.3832 5.4753 5.4753 6.2111 6.2111 7.7088 7.7088 7.9595 7.9595 9.0113 9.0113 9.3420 9.3420 k = 0.2692 0.5974 0.1912 ( 6120 PWs) bands (ev): -21.1853 -21.1853 -21.1748 -21.1748 -7.9277 -7.9277 -7.8896 -7.8896 -6.2595 -6.2595 -6.1031 -6.1031 -5.8602 -5.8602 -5.8033 -5.8033 -4.9022 -4.9022 -4.8704 -4.8704 -3.0654 -3.0654 -2.9000 -2.9000 2.2299 2.2299 2.8065 2.8065 3.0109 3.0109 3.7026 3.7026 4.1703 4.1703 4.3713 4.3713 4.6677 4.6677 5.3741 5.3741 5.4709 5.4709 6.1658 6.1658 7.6681 7.6681 7.9105 7.9105 9.0148 9.0148 9.3276 9.3276 k = 0.2513 0.5912 0.2006 ( 6129 PWs) bands (ev): -21.1851 -21.1851 -21.1750 -21.1750 -7.9251 -7.9251 -7.8891 -7.8891 -6.2487 -6.2487 -6.1003 -6.1003 -5.8647 -5.8647 -5.8080 -5.8080 -4.9101 -4.9101 -4.8721 -4.8721 -3.0716 -3.0716 -2.9054 -2.9054 2.2161 2.2161 2.7792 2.7792 3.0459 3.0459 3.7420 3.7420 4.2012 4.2012 4.4018 4.4018 4.6803 4.6803 5.3650 5.3650 5.4668 5.4668 6.1202 6.1202 7.6279 7.6279 7.8618 7.8618 9.0229 9.0229 9.3157 9.3157 k = 0.2333 0.5850 0.2100 ( 6130 PWs) bands (ev): -21.1849 -21.1849 -21.1753 -21.1753 -7.9223 -7.9223 -7.8886 -7.8886 -6.2374 -6.2374 -6.0971 -6.0971 -5.8694 -5.8694 -5.8132 -5.8132 -4.9178 -4.9178 -4.8744 -4.8744 -3.0768 -3.0768 -2.9115 -2.9115 2.2047 2.2047 2.7476 2.7476 3.0863 3.0863 3.7791 3.7791 4.2318 4.2318 4.4253 4.4253 4.7001 4.7001 5.3560 5.3560 5.4630 5.4630 6.0745 6.0745 7.5884 7.5884 7.8136 7.8136 9.0362 9.0362 9.3068 9.3068 k = 0.2154 0.5788 0.2194 ( 6132 PWs) bands (ev): -21.1846 -21.1846 -21.1755 -21.1755 -7.9196 -7.9196 -7.8882 -7.8882 -6.2257 -6.2257 -6.0936 -6.0936 -5.8744 -5.8744 -5.8189 -5.8189 -4.9250 -4.9250 -4.8774 -4.8774 -3.0809 -3.0809 -2.9183 -2.9183 2.1959 2.1959 2.7136 2.7136 3.1300 3.1300 3.8127 3.8127 4.2619 4.2619 4.4421 4.4421 4.7272 4.7272 5.3471 5.3471 5.4598 5.4598 6.0288 6.0288 7.5500 7.5500 7.7661 7.7661 9.0545 9.0545 9.3012 9.3012 k = 0.1974 0.5726 0.2288 ( 6126 PWs) bands (ev): -21.1843 -21.1843 -21.1758 -21.1758 -7.9168 -7.9168 -7.8878 -7.8878 -6.2136 -6.2136 -6.0900 -6.0900 -5.8796 -5.8796 -5.8250 -5.8250 -4.9316 -4.9316 -4.8811 -4.8811 -3.0837 -3.0837 -2.9257 -2.9257 2.1899 2.1899 2.6782 2.6782 3.1761 3.1761 3.8415 3.8415 4.2913 4.2913 4.4541 4.4541 4.7604 4.7604 5.3382 5.3382 5.4573 5.4573 5.9832 5.9832 7.5131 7.5131 7.7192 7.7192 9.0780 9.0780 9.2987 9.2987 k = 0.1795 0.5664 0.2383 ( 6120 PWs) bands (ev): -21.1840 -21.1840 -21.1761 -21.1761 -7.9140 -7.9140 -7.8875 -7.8875 -6.2012 -6.2012 -6.0863 -6.0863 -5.8848 -5.8848 -5.8314 -5.8314 -4.9375 -4.9375 -4.8855 -4.8855 -3.0851 -3.0851 -2.9337 -2.9337 2.1867 2.1867 2.6419 2.6419 3.2237 3.2237 3.8642 3.8642 4.3199 4.3199 4.4636 4.4636 4.7980 4.7980 5.3292 5.3292 5.4559 5.4559 5.9381 5.9381 7.4782 7.4782 7.6732 7.6732 9.1063 9.1063 9.2994 9.2994 k = 0.1615 0.5602 0.2477 ( 6124 PWs) bands (ev): -21.1837 -21.1837 -21.1765 -21.1765 -7.9113 -7.9113 -7.8873 -7.8873 -6.1887 -6.1887 -6.0826 -6.0826 -5.8900 -5.8900 -5.8383 -5.8383 -4.9425 -4.9425 -4.8905 -4.8905 -3.0852 -3.0852 -2.9423 -2.9423 2.1864 2.1864 2.6052 2.6052 3.2724 3.2724 3.8797 3.8797 4.3474 4.3474 4.4725 4.4725 4.8381 4.8381 5.3201 5.3201 5.4556 5.4556 5.8935 5.8935 7.4457 7.4457 7.6284 7.6284 9.1389 9.1389 9.3032 9.3032 k = 0.1436 0.5540 0.2571 ( 6121 PWs) bands (ev): -21.1834 -21.1834 -21.1768 -21.1768 -7.9086 -7.9086 -7.8873 -7.8873 -6.1761 -6.1761 -6.0792 -6.0792 -5.8949 -5.8949 -5.8454 -5.8454 -4.9466 -4.9466 -4.8961 -4.8961 -3.0839 -3.0839 -2.9514 -2.9514 2.1889 2.1889 2.5686 2.5686 3.3218 3.3218 3.8872 3.8872 4.3739 4.3739 4.4819 4.4819 4.8795 4.8795 5.3105 5.3105 5.4569 5.4569 5.8497 5.8497 7.4163 7.4163 7.5850 7.5850 9.1748 9.1748 9.3104 9.3104 k = 0.1256 0.5478 0.2665 ( 6121 PWs) bands (ev): -21.1830 -21.1830 -21.1772 -21.1772 -7.9060 -7.9060 -7.8873 -7.8873 -6.1636 -6.1636 -6.0762 -6.0762 -5.8994 -5.8994 -5.8528 -5.8528 -4.9497 -4.9497 -4.9020 -4.9020 -3.0813 -3.0813 -2.9610 -2.9610 2.1944 2.1944 2.5323 2.5323 3.3715 3.3715 3.8864 3.8864 4.3992 4.3992 4.4920 4.4920 4.9213 4.9213 5.3001 5.3001 5.4601 5.4601 5.8069 5.8069 7.3903 7.3903 7.5434 7.5434 9.2125 9.2125 9.3218 9.3218 k = 0.1077 0.5416 0.2759 ( 6119 PWs) bands (ev): -21.1826 -21.1826 -21.1776 -21.1776 -7.9036 -7.9036 -7.8875 -7.8875 -6.1512 -6.1512 -6.0740 -6.0740 -5.9032 -5.9032 -5.8603 -5.8603 -4.9517 -4.9517 -4.9081 -4.9081 -3.0773 -3.0773 -2.9709 -2.9709 2.2027 2.2027 2.4967 2.4967 3.4211 3.4211 3.8776 3.8776 4.4234 4.4234 4.5024 4.5024 4.9625 4.9625 5.2885 5.2885 5.4656 5.4656 5.7654 5.7654 7.3685 7.3685 7.5040 7.5040 9.2486 9.2486 9.3396 9.3396 k = 0.0897 0.5354 0.2853 ( 6115 PWs) bands (ev): -21.1823 -21.1823 -21.1780 -21.1780 -7.9012 -7.9012 -7.8879 -7.8879 -6.1391 -6.1391 -6.0728 -6.0728 -5.9060 -5.9060 -5.8678 -5.8678 -4.9527 -4.9527 -4.9144 -4.9144 -3.0722 -3.0722 -2.9811 -2.9811 2.2140 2.2140 2.4619 2.4619 3.4705 3.4705 3.8613 3.8613 4.4461 4.4461 4.5122 4.5122 5.0028 5.0028 5.2754 5.2754 5.4737 5.4737 5.7255 5.7255 7.3511 7.3511 7.4674 7.4674 9.2785 9.2785 9.3649 9.3649 k = 0.0718 0.5292 0.2947 ( 6112 PWs) bands (ev): -21.1819 -21.1819 -21.1784 -21.1784 -7.8991 -7.8991 -7.8884 -7.8884 -6.1275 -6.1275 -6.0729 -6.0729 -5.9077 -5.9077 -5.8752 -5.8752 -4.9526 -4.9526 -4.9207 -4.9207 -3.0660 -3.0660 -2.9915 -2.9915 2.2280 2.2280 2.4283 2.4283 3.5191 3.5191 3.8386 3.8386 4.4671 4.4671 4.5203 4.5203 5.0415 5.0415 5.2603 5.2603 5.4847 5.4847 5.6875 5.6875 7.3387 7.3387 7.4340 7.4340 9.2999 9.2999 9.3702 9.3702 k = 0.0538 0.5230 0.3041 ( 6113 PWs) bands (ev): -21.1814 -21.1814 -21.1789 -21.1789 -7.8971 -7.8971 -7.8890 -7.8890 -6.1165 -6.1165 -6.0746 -6.0746 -5.9079 -5.9079 -5.8824 -5.8824 -4.9515 -4.9515 -4.9267 -4.9267 -3.0588 -3.0588 -3.0020 -3.0020 2.2448 2.2448 2.3962 2.3962 3.5668 3.5668 3.8103 3.8103 4.4856 4.4856 4.5259 4.5259 5.0782 5.0782 5.2428 5.2428 5.4988 5.4988 5.6518 5.6518 7.3316 7.3316 7.4045 7.4045 9.3153 9.3153 9.3658 9.3658 k = 0.0359 0.5168 0.3136 ( 6118 PWs) bands (ev): -21.1810 -21.1810 -21.1793 -21.1793 -7.8953 -7.8953 -7.8899 -7.8899 -6.1064 -6.1064 -6.0778 -6.0778 -5.9068 -5.9068 -5.8891 -5.8891 -4.9493 -4.9493 -4.9325 -4.9325 -3.0507 -3.0507 -3.0124 -3.0124 2.2642 2.2642 2.3657 2.3657 3.6132 3.6132 3.7773 3.7773 4.5013 4.5013 4.5284 4.5284 5.1127 5.1127 5.2226 5.2226 5.5161 5.5161 5.6185 5.6185 7.3300 7.3300 7.3793 7.3793 9.3275 9.3275 9.3602 9.3602 k = 0.0179 0.5106 0.3230 ( 6112 PWs) bands (ev): -21.1806 -21.1806 -21.1797 -21.1797 -7.8936 -7.8936 -7.8910 -7.8910 -6.0972 -6.0972 -6.0828 -6.0828 -5.9041 -5.9041 -5.8951 -5.8951 -4.9463 -4.9463 -4.9377 -4.9377 -3.0418 -3.0418 -3.0225 -3.0225 2.2861 2.2861 2.3371 2.3371 3.6579 3.6579 3.7405 3.7405 4.5137 4.5137 4.5274 4.5274 5.1445 5.1445 5.1996 5.1996 5.5368 5.5368 5.5882 5.5882 7.3341 7.3341 7.3590 7.3590 9.3376 9.3376 9.3537 9.3537 k = 0.0000 0.5044 0.3324 ( 6108 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8922 -7.8922 -7.8922 -7.8922 -6.0893 -6.0893 -6.0893 -6.0893 -5.9002 -5.9002 -5.9002 -5.9002 -4.9425 -4.9425 -4.9422 -4.9422 -3.0326 -3.0326 -3.0323 -3.0323 2.3105 2.3105 2.3105 2.3105 3.7004 3.7004 3.7006 3.7006 4.5224 4.5224 4.5225 4.5225 5.1735 5.1735 5.1736 5.1736 5.5608 5.5608 5.5610 5.5610 7.3437 7.3437 7.3438 7.3438 9.3463 9.3463 9.3463 9.3463 k = 0.0000 0.5044 0.3324 ( 6108 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8922 -7.8922 -7.8922 -7.8922 -6.0893 -6.0893 -6.0893 -6.0893 -5.9002 -5.9002 -5.9002 -5.9002 -4.9425 -4.9425 -4.9422 -4.9422 -3.0326 -3.0326 -3.0323 -3.0323 2.3105 2.3105 2.3105 2.3105 3.7004 3.7004 3.7006 3.7006 4.5224 4.5224 4.5225 4.5225 5.1735 5.1735 5.1736 5.1736 5.5608 5.5608 5.5610 5.5610 7.3437 7.3437 7.3438 7.3438 9.3463 9.3463 9.3463 9.3463 k = 0.0114 0.4944 0.3475 ( 6112 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8923 -7.8923 -7.8922 -7.8922 -6.0895 -6.0895 -6.0894 -6.0894 -5.9007 -5.9007 -5.8994 -5.8994 -4.9433 -4.9433 -4.9410 -4.9410 -3.0336 -3.0336 -3.0321 -3.0321 2.3110 2.3110 2.3141 2.3141 3.6999 3.6999 3.7024 3.7024 4.5162 4.5162 4.5247 4.5247 5.1682 5.1682 5.1759 5.1759 5.5528 5.5528 5.5645 5.5645 7.3471 7.3471 7.3502 7.3502 9.3426 9.3426 9.3428 9.3428 k = 0.0227 0.4845 0.3626 ( 6112 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8924 -7.8924 -7.8921 -7.8921 -6.0901 -6.0901 -6.0897 -6.0897 -5.9008 -5.9008 -5.8984 -5.8984 -4.9438 -4.9438 -4.9393 -4.9393 -3.0355 -3.0355 -3.0325 -3.0325 2.3156 2.3156 2.3217 2.3217 3.7006 3.7006 3.7056 3.7056 4.5062 4.5062 4.5230 4.5230 5.1596 5.1596 5.1755 5.1755 5.5403 5.5403 5.5640 5.5640 7.3600 7.3600 7.3661 7.3661 9.3324 9.3324 9.3330 9.3330 k = 0.0341 0.4745 0.3777 ( 6112 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8925 -7.8925 -7.8921 -7.8921 -6.0910 -6.0910 -6.0904 -6.0904 -5.9008 -5.9008 -5.8972 -5.8972 -4.9439 -4.9439 -4.9372 -4.9372 -3.0382 -3.0382 -3.0338 -3.0338 2.3242 2.3242 2.3333 2.3333 3.7024 3.7024 3.7100 3.7100 4.4923 4.4923 4.5170 4.5170 5.1474 5.1474 5.1728 5.1728 5.5238 5.5238 5.5604 5.5604 7.3818 7.3818 7.3909 7.3909 9.3178 9.3178 9.3192 9.3192 k = 0.0455 0.4645 0.3928 ( 6120 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8927 -7.8927 -7.8922 -7.8922 -6.0921 -6.0921 -6.0914 -6.0914 -5.9004 -5.9004 -5.8957 -5.8957 -4.9436 -4.9436 -4.9349 -4.9349 -3.0415 -3.0415 -3.0358 -3.0358 2.3368 2.3368 2.3488 2.3488 3.7052 3.7052 3.7155 3.7155 4.4749 4.4749 4.5069 4.5069 5.1316 5.1316 5.1680 5.1680 5.5043 5.5043 5.5546 5.5546 7.4115 7.4115 7.4234 7.4234 9.3009 9.3009 9.3034 9.3034 k = 0.0568 0.4546 0.4079 ( 6124 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8928 -7.8928 -7.8922 -7.8922 -6.0935 -6.0935 -6.0926 -6.0926 -5.8997 -5.8997 -5.8941 -5.8941 -4.9429 -4.9429 -4.9323 -4.9323 -3.0455 -3.0455 -3.0385 -3.0385 2.3534 2.3534 2.3682 2.3682 3.7087 3.7087 3.7218 3.7218 4.4539 4.4539 4.4925 4.4925 5.1124 5.1124 5.1611 5.1611 5.4829 5.4829 5.5474 5.5474 7.4478 7.4478 7.4624 7.4624 9.2833 9.2833 9.2870 9.2870 k = 0.0682 0.4446 0.4230 ( 6126 PWs) bands (ev): -21.1802 -21.1802 -21.1802 -21.1802 -7.8930 -7.8930 -7.8923 -7.8923 -6.0951 -6.0951 -6.0940 -6.0940 -5.8989 -5.8989 -5.8924 -5.8924 -4.9417 -4.9417 -4.9295 -4.9295 -3.0500 -3.0500 -3.0419 -3.0419 2.3739 2.3739 2.3913 2.3913 3.7125 3.7125 3.7287 3.7287 4.4294 4.4294 4.4739 4.4739 5.0904 5.0904 5.1524 5.1524 5.4608 5.4608 5.5397 5.5397 7.4894 7.4894 7.5064 7.5064 9.2663 9.2663 9.2713 9.2713 k = 0.0795 0.4347 0.4381 ( 6124 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8932 -7.8932 -7.8924 -7.8924 -6.0968 -6.0968 -6.0956 -6.0956 -5.8978 -5.8978 -5.8907 -5.8907 -4.9401 -4.9401 -4.9265 -4.9265 -3.0549 -3.0549 -3.0459 -3.0459 2.3982 2.3982 2.4179 2.4179 3.7163 3.7163 3.7356 3.7356 4.4018 4.4018 4.4512 4.4512 5.0665 5.0665 5.1420 5.1420 5.4391 5.4391 5.5320 5.5320 7.5349 7.5349 7.5540 7.5540 9.2505 9.2505 9.2567 9.2567 k = 0.0909 0.4247 0.4533 ( 6116 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8934 -7.8934 -7.8926 -7.8926 -6.0987 -6.0987 -6.0974 -6.0974 -5.8965 -5.8965 -5.8888 -5.8888 -4.9382 -4.9382 -4.9235 -4.9235 -3.0602 -3.0602 -3.0504 -3.0504 2.4260 2.4260 2.4479 2.4479 3.7196 3.7196 3.7421 3.7421 4.3711 4.3711 4.4249 4.4249 5.0418 5.0418 5.1304 5.1304 5.4187 5.4187 5.5244 5.5244 7.5826 7.5826 7.6035 7.6035 9.2363 9.2363 9.2438 9.2438 k = 0.1023 0.4148 0.4684 ( 6126 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8936 -7.8936 -7.8927 -7.8927 -6.1006 -6.1006 -6.0992 -6.0992 -5.8951 -5.8951 -5.8871 -5.8871 -4.9360 -4.9360 -4.9204 -4.9204 -3.0657 -3.0657 -3.0554 -3.0554 2.4573 2.4573 2.4811 2.4811 3.7217 3.7217 3.7473 3.7473 4.3380 4.3380 4.3953 4.3953 5.0175 5.0175 5.1179 5.1179 5.4003 5.4003 5.5168 5.5168 7.6311 7.6311 7.6535 7.6535 9.2241 9.2241 9.2327 9.2327 k = 0.1136 0.4048 0.4835 ( 6126 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8938 -7.8938 -7.8929 -7.8929 -6.1026 -6.1026 -6.1011 -6.1011 -5.8936 -5.8936 -5.8853 -5.8853 -4.9334 -4.9334 -4.9174 -4.9174 -3.0714 -3.0714 -3.0607 -3.0607 2.4918 2.4918 2.5172 2.5172 3.7221 3.7221 3.7505 3.7505 4.3033 4.3033 4.3633 4.3633 4.9947 4.9947 5.1051 5.1051 5.3840 5.3840 5.5092 5.5092 7.6791 7.6791 7.7024 7.7024 9.2142 9.2142 9.2238 9.2238 k = 0.1250 0.3949 0.4986 ( 6122 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8940 -7.8940 -7.8931 -7.8931 -6.1046 -6.1046 -6.1030 -6.1030 -5.8920 -5.8920 -5.8837 -5.8837 -4.9307 -4.9307 -4.9144 -4.9144 -3.0770 -3.0770 -3.0662 -3.0662 2.5292 2.5292 2.5560 2.5560 3.7198 3.7198 3.7506 3.7506 4.2681 4.2681 4.3298 4.3298 4.9745 4.9745 5.0924 5.0924 5.3700 5.3700 5.5012 5.5012 7.7250 7.7250 7.7489 7.7489 9.2070 9.2070 9.2171 9.2171 k = 0.1364 0.3849 0.5137 ( 6120 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8942 -7.8942 -7.8933 -7.8933 -6.1065 -6.1065 -6.1049 -6.1049 -5.8903 -5.8903 -5.8821 -5.8821 -4.9278 -4.9278 -4.9116 -4.9116 -3.0825 -3.0825 -3.0718 -3.0718 2.5694 2.5694 2.5971 2.5971 3.7141 3.7141 3.7463 3.7463 4.2339 4.2339 4.2959 4.2959 4.9574 4.9574 5.0803 5.0803 5.3583 5.3583 5.4927 5.4927 7.7679 7.7679 7.7917 7.7917 9.2027 9.2027 9.2132 9.2132 k = 0.1477 0.3749 0.5288 ( 6128 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8944 -7.8944 -7.8935 -7.8935 -6.1083 -6.1083 -6.1068 -6.1068 -5.8887 -5.8887 -5.8807 -5.8807 -4.9247 -4.9247 -4.9091 -4.9091 -3.0878 -3.0878 -3.0774 -3.0774 2.6119 2.6119 2.6400 2.6400 3.7043 3.7043 3.7364 3.7364 4.2022 4.2022 4.2630 4.2630 4.9439 4.9439 5.0689 5.0689 5.3488 5.3488 5.4834 5.4834 7.8065 7.8065 7.8297 7.8297 9.2018 9.2018 9.2122 9.2122 k = 0.1591 0.3650 0.5439 ( 6120 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8945 -7.8945 -7.8937 -7.8937 -6.1100 -6.1100 -6.1085 -6.1085 -5.8870 -5.8870 -5.8795 -5.8795 -4.9216 -4.9216 -4.9067 -4.9067 -3.0928 -3.0928 -3.0829 -3.0829 2.6562 2.6562 2.6844 2.6844 3.6897 3.6897 3.7200 3.7200 4.1746 4.1746 4.2324 4.2324 4.9343 4.9343 5.0582 5.0582 5.3415 5.3415 5.4733 5.4733 7.8401 7.8401 7.8622 7.8622 9.2045 9.2045 9.2145 9.2145 k = 0.1705 0.3550 0.5590 ( 6110 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8947 -7.8947 -7.8939 -7.8939 -6.1115 -6.1115 -6.1102 -6.1102 -5.8854 -5.8854 -5.8785 -5.8785 -4.9185 -4.9185 -4.9047 -4.9047 -3.0973 -3.0973 -3.0882 -3.0882 2.7018 2.7018 2.7295 2.7295 3.6700 3.6700 3.6969 3.6969 4.1523 4.1523 4.2050 4.2050 4.9286 4.9286 5.0480 5.0480 5.3365 5.3365 5.4623 5.4623 7.8683 7.8683 7.8887 7.8887 9.2109 9.2109 9.2201 9.2201 k = 0.1818 0.3451 0.5741 ( 6112 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8948 -7.8948 -7.8941 -7.8941 -6.1129 -6.1129 -6.1117 -6.1117 -5.8839 -5.8839 -5.8777 -5.8777 -4.9155 -4.9155 -4.9031 -4.9031 -3.1014 -3.1014 -3.0931 -3.0931 2.7478 2.7478 2.7744 2.7744 3.6457 3.6457 3.6677 3.6677 4.1355 4.1355 4.1815 4.1815 4.9267 4.9267 5.0380 5.0380 5.3339 5.3339 5.4503 5.4503 7.8911 7.8911 7.9094 7.9094 9.2205 9.2205 9.2286 9.2286 k = 0.1932 0.3351 0.5892 ( 6104 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8949 -7.8949 -7.8943 -7.8943 -6.1141 -6.1141 -6.1130 -6.1130 -5.8824 -5.8824 -5.8771 -5.8771 -4.9126 -4.9126 -4.9019 -4.9019 -3.1048 -3.1048 -3.0976 -3.0976 2.7932 2.7932 2.8181 2.8181 3.6177 3.6177 3.6342 3.6342 4.1239 4.1239 4.1623 4.1623 4.9281 4.9281 5.0280 5.0280 5.3339 5.3339 5.4376 5.4376 7.9088 7.9088 7.9245 7.9245 9.2324 9.2324 9.2392 9.2392 k = 0.2045 0.3252 0.6043 ( 6114 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8949 -7.8949 -7.8944 -7.8944 -6.1150 -6.1150 -6.1141 -6.1141 -5.8811 -5.8811 -5.8767 -5.8767 -4.9099 -4.9099 -4.9010 -4.9010 -3.1075 -3.1075 -3.1015 -3.1015 2.8367 2.8367 2.8588 2.8588 3.5880 3.5880 3.5990 3.5990 4.1167 4.1167 4.1469 4.1469 4.9326 4.9326 5.0175 5.0175 5.3366 5.3366 5.4242 5.4242 7.9219 7.9219 7.9349 7.9349 9.2452 9.2452 9.2505 9.2505 k = 0.2159 0.3152 0.6194 ( 6110 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8950 -7.8950 -7.8946 -7.8946 -6.1157 -6.1157 -6.1151 -6.1151 -5.8799 -5.8799 -5.8765 -5.8765 -4.9075 -4.9075 -4.9006 -4.9006 -3.1095 -3.1095 -3.1049 -3.1049 2.8761 2.8761 2.8945 2.8945 3.5591 3.5591 3.5656 3.5656 4.1128 4.1128 4.1351 4.1351 4.9397 4.9397 5.0065 5.0065 5.3418 5.3418 5.4105 5.4105 7.9314 7.9314 7.9413 7.9413 9.2572 9.2572 9.2610 9.2610 k = 0.2273 0.3052 0.6346 ( 6116 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8950 -7.8950 -7.8947 -7.8947 -6.1162 -6.1162 -6.1158 -6.1158 -5.8789 -5.8789 -5.8766 -5.8766 -4.9054 -4.9054 -4.9007 -4.9007 -3.1107 -3.1107 -3.1076 -3.1076 2.9090 2.9090 2.9223 2.9223 3.5343 3.5343 3.5374 3.5374 4.1116 4.1116 4.1262 4.1262 4.9488 4.9488 4.9949 4.9949 5.3494 5.3494 5.3967 5.3967 7.9380 7.9380 7.9447 7.9447 9.2670 9.2670 9.2694 9.2694 k = 0.2386 0.2953 0.6497 ( 6120 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8950 -7.8950 -7.8948 -7.8948 -6.1165 -6.1165 -6.1162 -6.1162 -5.8780 -5.8780 -5.8768 -5.8768 -4.9036 -4.9036 -4.9012 -4.9012 -3.1111 -3.1111 -3.1095 -3.1095 2.9322 2.9322 2.9392 2.9392 3.5173 3.5173 3.5185 3.5185 4.1124 4.1124 4.1197 4.1197 4.9595 4.9595 4.9830 4.9830 5.3591 5.3591 5.3832 5.3832 7.9424 7.9424 7.9457 7.9457 9.2735 9.2735 9.2747 9.2747 k = 0.2500 0.2853 0.6648 ( 6124 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8949 -7.8949 -7.8949 -7.8949 -6.1165 -6.1165 -6.1165 -6.1165 -5.8773 -5.8773 -5.8773 -5.8773 -4.9024 -4.9024 -4.9020 -4.9020 -3.1109 -3.1109 -3.1106 -3.1106 2.9426 2.9426 2.9429 2.9429 3.5113 3.5113 3.5116 3.5116 4.1150 4.1150 4.1153 4.1153 4.9709 4.9709 4.9711 4.9711 5.3704 5.3704 5.3706 5.3706 7.9448 7.9448 7.9450 7.9450 9.2761 9.2761 9.2761 9.2761 k = 0.2500 0.2853 0.6648 ( 6124 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8949 -7.8949 -7.8949 -7.8949 -6.1165 -6.1165 -6.1165 -6.1165 -5.8773 -5.8773 -5.8773 -5.8773 -4.9024 -4.9024 -4.9020 -4.9020 -3.1109 -3.1109 -3.1106 -3.1106 2.9426 2.9426 2.9429 2.9429 3.5113 3.5113 3.5116 3.5116 4.1150 4.1150 4.1153 4.1153 4.9709 4.9709 4.9711 4.9711 5.3704 5.3704 5.3706 5.3706 7.9448 7.9448 7.9450 7.9450 9.2761 9.2761 9.2761 9.2761 k = 0.2593 0.2959 0.6487 ( 6118 PWs) bands (ev): -21.1806 -21.1806 -21.1796 -21.1796 -7.8959 -7.8959 -7.8940 -7.8940 -6.1212 -6.1212 -6.1119 -6.1119 -5.8804 -5.8804 -5.8739 -5.8739 -4.9141 -4.9141 -4.8907 -4.8907 -3.1214 -3.1214 -3.0997 -3.0997 2.9362 2.9362 2.9417 2.9417 3.5065 3.5065 3.5235 3.5235 4.0966 4.0966 4.1350 4.1350 4.9474 4.9474 4.9941 4.9941 5.3411 5.3411 5.4012 5.4012 7.9238 7.9238 7.9641 7.9641 9.2174 9.2174 9.3341 9.3341 k = 0.2685 0.3065 0.6327 ( 6120 PWs) bands (ev): -21.1811 -21.1811 -21.1792 -21.1792 -7.8969 -7.8969 -7.8931 -7.8931 -6.1256 -6.1256 -6.1079 -6.1079 -5.8828 -5.8828 -5.8702 -5.8702 -4.9266 -4.9266 -4.8793 -4.8793 -3.1317 -3.1317 -3.0882 -3.0882 2.9190 2.9190 2.9379 2.9379 3.5009 3.5009 3.5478 3.5478 4.0801 4.0801 4.1558 4.1558 4.9251 4.9251 5.0152 5.0152 5.3136 5.3136 5.4323 5.4323 7.9052 7.9052 7.9765 7.9765 9.1628 9.1628 9.3866 9.3866 k = 0.2778 0.3170 0.6167 ( 6122 PWs) bands (ev): -21.1815 -21.1815 -21.1787 -21.1787 -7.8979 -7.8979 -7.8922 -7.8922 -6.1297 -6.1297 -6.1046 -6.1046 -5.8844 -5.8844 -5.8664 -5.8664 -4.9390 -4.9390 -4.8683 -4.8683 -3.1416 -3.1416 -3.0764 -3.0764 2.8909 2.8909 2.9354 2.9354 3.4940 3.4940 3.5791 3.5791 4.0668 4.0668 4.1774 4.1774 4.9046 4.9046 5.0348 5.0348 5.2882 5.2882 5.4631 5.4631 7.8894 7.8894 7.9810 7.9810 9.1126 9.1126 9.4329 9.4329 k = 0.2870 0.3276 0.6006 ( 6121 PWs) bands (ev): -21.1820 -21.1820 -21.1783 -21.1783 -7.8989 -7.8989 -7.8914 -7.8914 -6.1336 -6.1336 -6.1024 -6.1024 -5.8851 -5.8851 -5.8626 -5.8626 -4.9513 -4.9513 -4.8577 -4.8577 -3.1507 -3.1507 -3.0645 -3.0645 2.8559 2.8559 2.9339 2.9339 3.4857 3.4857 3.6115 3.6115 4.0585 4.0585 4.2000 4.2000 4.8862 4.8862 5.0530 5.0530 5.2650 5.2650 5.4930 5.4930 7.8762 7.8762 7.9771 7.9771 9.0668 9.0668 9.4537 9.4538 k = 0.2963 0.3382 0.5846 ( 6123 PWs) bands (ev): -21.1824 -21.1824 -21.1778 -21.1778 -7.9000 -7.9000 -7.8907 -7.8907 -6.1371 -6.1371 -6.1015 -6.1015 -5.8847 -5.8847 -5.8588 -5.8588 -4.9630 -4.9630 -4.8477 -4.8477 -3.1589 -3.1589 -3.0526 -3.0526 2.8171 2.8171 2.9336 2.9336 3.4756 3.4756 3.6387 3.6387 4.0578 4.0578 4.2237 4.2237 4.8700 4.8700 5.0704 5.0704 5.2441 5.2441 5.5216 5.5216 7.8658 7.8658 7.9646 7.9646 9.0257 9.0257 9.4650 9.4650 k = 0.3056 0.3487 0.5686 ( 6121 PWs) bands (ev): -21.1828 -21.1828 -21.1774 -21.1774 -7.9012 -7.9012 -7.8901 -7.8901 -6.1402 -6.1402 -6.1019 -6.1019 -5.8831 -5.8831 -5.8551 -5.8551 -4.9738 -4.9738 -4.8383 -4.8383 -3.1660 -3.1660 -3.0409 -3.0409 2.7763 2.7763 2.9346 2.9346 3.4636 3.4636 3.6554 3.6554 4.0673 4.0673 4.2489 4.2489 4.8561 4.8561 5.0874 5.0874 5.2255 5.2255 5.5487 5.5487 7.8581 7.8581 7.9435 7.9435 8.9894 8.9894 9.4846 9.4847 k = 0.3148 0.3593 0.5525 ( 6125 PWs) bands (ev): -21.1832 -21.1832 -21.1770 -21.1770 -7.9025 -7.9025 -7.8895 -7.8895 -6.1429 -6.1429 -6.1040 -6.1040 -5.8805 -5.8805 -5.8515 -5.8515 -4.9836 -4.9836 -4.8297 -4.8297 -3.1719 -3.1719 -3.0294 -3.0294 2.7352 2.7352 2.9368 2.9368 3.4495 3.4495 3.6587 3.6587 4.0877 4.0877 4.2757 4.2757 4.8445 4.8445 5.1039 5.1039 5.2094 5.2094 5.5743 5.5743 7.8528 7.8528 7.9148 7.9148 8.9580 8.9580 9.5109 9.5109 k = 0.3241 0.3699 0.5365 ( 6128 PWs) bands (ev): -21.1836 -21.1836 -21.1766 -21.1766 -7.9038 -7.9038 -7.8891 -7.8891 -6.1453 -6.1453 -6.1075 -6.1075 -5.8768 -5.8768 -5.8482 -5.8482 -4.9921 -4.9921 -4.8219 -4.8219 -3.1765 -3.1765 -3.0182 -3.0182 2.6946 2.6946 2.9403 2.9403 3.4331 3.4331 3.6489 3.6489 4.1170 4.1170 4.3046 4.3046 4.8351 4.8351 5.1189 5.1189 5.1974 5.1974 5.5983 5.5983 7.8490 7.8490 7.8804 7.8804 8.9315 8.9315 9.5283 9.5283 k = 0.3333 0.3804 0.5204 ( 6128 PWs) bands (ev): -21.1840 -21.1840 -21.1763 -21.1763 -7.9053 -7.9053 -7.8886 -7.8886 -6.1474 -6.1474 -6.1125 -6.1125 -5.8722 -5.8722 -5.8450 -5.8450 -4.9992 -4.9992 -4.8149 -4.8149 -3.1797 -3.1797 -3.0075 -3.0075 2.6552 2.6552 2.9453 2.9453 3.4144 3.4144 3.6281 3.6281 4.1514 4.1514 4.3358 4.3358 4.8274 4.8274 5.1280 5.1280 5.1940 5.1940 5.6209 5.6209 7.8317 7.8317 7.8566 7.8566 8.9101 8.9101 9.5270 9.5270 k = 0.3426 0.3910 0.5044 ( 6124 PWs) bands (ev): -21.1843 -21.1843 -21.1759 -21.1759 -7.9068 -7.9068 -7.8883 -7.8883 -6.1491 -6.1491 -6.1188 -6.1188 -5.8669 -5.8669 -5.8421 -5.8421 -5.0046 -5.0046 -4.8089 -4.8089 -3.1814 -3.1814 -2.9972 -2.9972 2.6175 2.6175 2.9516 2.9516 3.3934 3.3934 3.5996 3.5996 4.1871 4.1871 4.3694 4.3694 4.8212 4.8212 5.1260 5.1260 5.2048 5.2048 5.6425 5.6425 7.7889 7.7889 7.8568 7.8568 8.8937 8.8937 9.5196 9.5196 k = 0.3519 0.4016 0.4884 ( 6134 PWs) bands (ev): -21.1846 -21.1846 -21.1756 -21.1756 -7.9085 -7.9085 -7.8881 -7.8881 -6.1507 -6.1507 -6.1261 -6.1261 -5.8611 -5.8611 -5.8395 -5.8395 -5.0083 -5.0083 -4.8038 -4.8038 -3.1815 -3.1815 -2.9875 -2.9875 2.5819 2.5819 2.9592 2.9592 3.3700 3.3700 3.5659 3.5659 4.2213 4.2213 4.4045 4.4045 4.8157 4.8157 5.1166 5.1166 5.2268 5.2268 5.6632 5.6632 7.7415 7.7415 7.8619 7.8619 8.8824 8.8824 9.5083 9.5083 k = 0.3611 0.4121 0.4723 ( 6132 PWs) bands (ev): -21.1849 -21.1849 -21.1753 -21.1753 -7.9102 -7.9102 -7.8879 -7.8879 -6.1524 -6.1524 -6.1340 -6.1340 -5.8550 -5.8550 -5.8371 -5.8371 -5.0101 -5.0101 -4.7997 -4.7997 -3.1801 -3.1801 -2.9783 -2.9783 2.5486 2.5486 2.9681 2.9681 3.3440 3.3440 3.5292 3.5292 4.2526 4.2526 4.4394 4.4394 4.8101 4.8101 5.1057 5.1057 5.2550 5.2550 5.6835 5.6835 7.6931 7.6931 7.8699 7.8699 8.8762 8.8762 9.4938 9.4938 k = 0.3704 0.4227 0.4563 ( 6132 PWs) bands (ev): -21.1852 -21.1852 -21.1750 -21.1750 -7.9121 -7.9121 -7.8878 -7.8878 -6.1552 -6.1552 -6.1412 -6.1412 -5.8489 -5.8489 -5.8348 -5.8348 -5.0102 -5.0102 -4.7966 -4.7966 -3.1771 -3.1771 -2.9696 -2.9696 2.5178 2.5178 2.9780 2.9780 3.3154 3.3154 3.4914 3.4914 4.2806 4.2806 4.4718 4.4718 4.8036 4.8036 5.0967 5.0967 5.2868 5.2868 5.7037 5.7037 7.6456 7.6456 7.8807 7.8807 8.8751 8.8751 9.4768 9.4768 k = 0.3796 0.4333 0.4403 ( 6130 PWs) bands (ev): -21.1854 -21.1854 -21.1748 -21.1748 -7.9140 -7.9140 -7.8877 -7.8877 -6.1613 -6.1613 -6.1456 -6.1456 -5.8433 -5.8433 -5.8326 -5.8326 -5.0086 -5.0086 -4.7945 -4.7945 -3.1725 -3.1725 -2.9615 -2.9615 2.4897 2.4897 2.9890 2.9890 3.2841 3.2841 3.4542 3.4542 4.3054 4.3054 4.4988 4.4988 4.7956 4.7956 5.0919 5.0919 5.3208 5.3208 5.7244 5.7244 7.6007 7.6007 7.8941 7.8941 8.8791 8.8791 9.4576 9.4576 k = 0.3889 0.4438 0.4242 ( 6114 PWs) bands (ev): -21.1856 -21.1856 -21.1746 -21.1746 -7.9160 -7.9160 -7.8878 -7.8878 -6.1705 -6.1705 -6.1470 -6.1470 -5.8385 -5.8385 -5.8298 -5.8298 -5.0052 -5.0052 -4.7934 -4.7934 -3.1665 -3.1665 -2.9540 -2.9540 2.4643 2.4643 3.0006 3.0006 3.2499 3.2499 3.4188 3.4188 4.3272 4.3272 4.5176 4.5176 4.7860 4.7860 5.0929 5.0929 5.3557 5.3557 5.7463 5.7463 7.5601 7.5601 7.9102 7.9102 8.8882 8.8882 9.4368 9.4368 k = 0.3981 0.4544 0.4082 ( 6122 PWs) bands (ev): -21.1858 -21.1858 -21.1744 -21.1744 -7.9180 -7.9180 -7.8879 -7.8879 -6.1811 -6.1811 -6.1470 -6.1470 -5.8355 -5.8355 -5.8260 -5.8260 -5.0002 -5.0002 -4.7932 -4.7932 -3.1591 -3.1591 -2.9471 -2.9471 2.4418 2.4418 3.0128 3.0128 3.2131 3.2131 3.3862 3.3862 4.3460 4.3460 4.5258 4.5258 4.7756 4.7756 5.1001 5.1001 5.3902 5.3902 5.7702 5.7702 7.5252 7.5252 7.9289 7.9289 8.9023 8.9023 9.4152 9.4152 k = 0.4074 0.4650 0.3922 ( 6112 PWs) bands (ev): -21.1859 -21.1859 -21.1742 -21.1742 -7.9201 -7.9201 -7.8880 -7.8880 -6.1924 -6.1924 -6.1464 -6.1464 -5.8338 -5.8338 -5.8213 -5.8213 -4.9937 -4.9937 -4.7939 -4.7939 -3.1505 -3.1505 -2.9407 -2.9407 2.4222 2.4222 3.0250 3.0250 3.1744 3.1744 3.3570 3.3570 4.3617 4.3617 4.5217 4.5217 4.7657 4.7657 5.1130 5.1130 5.4230 5.4230 5.7970 5.7970 7.4973 7.4973 7.9502 7.9502 8.9214 8.9214 9.3933 9.3933 k = 0.4167 0.4756 0.3761 ( 6112 PWs) bands (ev): -21.1861 -21.1861 -21.1740 -21.1740 -7.9222 -7.9222 -7.8883 -7.8883 -6.2038 -6.2038 -6.1452 -6.1452 -5.8330 -5.8330 -5.8165 -5.8165 -4.9861 -4.9861 -4.7956 -4.7956 -3.1407 -3.1407 -2.9348 -2.9348 2.4055 2.4055 3.0365 3.0365 3.1352 3.1352 3.3314 3.3314 4.3740 4.3740 4.5056 4.5056 4.7569 4.7569 5.1304 5.1304 5.4528 5.4528 5.8276 5.8276 7.4776 7.4776 7.9740 7.9740 8.9453 8.9453 9.3718 9.3718 k = 0.4259 0.4861 0.3601 ( 6115 PWs) bands (ev): -21.1862 -21.1862 -21.1739 -21.1739 -7.9243 -7.9243 -7.8886 -7.8886 -6.2154 -6.2154 -6.1437 -6.1437 -5.8326 -5.8326 -5.8119 -5.8119 -4.9773 -4.9773 -4.7979 -4.7979 -3.1300 -3.1300 -2.9294 -2.9294 2.3917 2.3917 3.0441 3.0441 3.0988 3.0988 3.3096 3.3096 4.3821 4.3821 4.4796 4.4796 4.7487 4.7487 5.1510 5.1510 5.4784 5.4784 5.8627 5.8627 7.4667 7.4667 8.0002 8.0002 8.9739 8.9739 9.3515 9.3515 k = 0.4352 0.4967 0.3441 ( 6120 PWs) bands (ev): -21.1863 -21.1863 -21.1738 -21.1738 -7.9263 -7.9263 -7.8889 -7.8889 -6.2268 -6.2268 -6.1419 -6.1419 -5.8326 -5.8326 -5.8076 -5.8076 -4.9678 -4.9678 -4.8010 -4.8010 -3.1184 -3.1184 -2.9245 -2.9245 2.3809 2.3809 3.0335 3.0335 3.0801 3.0801 3.2916 3.2916 4.3839 4.3839 4.4474 4.4474 4.7405 4.7405 5.1735 5.1735 5.4995 5.4995 5.9024 5.9024 7.4653 7.4653 8.0285 8.0285 9.0070 9.0070 9.3330 9.3330 k = 0.4444 0.5073 0.3280 ( 6112 PWs) bands (ev): -21.1863 -21.1863 -21.1737 -21.1737 -7.9284 -7.9284 -7.8893 -7.8893 -6.2379 -6.2379 -6.1398 -6.1398 -5.8328 -5.8328 -5.8037 -5.8037 -4.9576 -4.9576 -4.8048 -4.8048 -3.1063 -3.1063 -2.9200 -2.9200 2.3730 2.3730 3.0006 3.0006 3.0835 3.0835 3.2775 3.2775 4.3722 4.3722 4.4179 4.4179 4.7315 4.7315 5.1971 5.1971 5.5157 5.5157 5.9467 5.9467 7.4734 7.4734 8.0587 8.0587 9.0444 9.0444 9.3169 9.3169 k = 0.4537 0.5178 0.3120 ( 6111 PWs) bands (ev): -21.1863 -21.1863 -21.1737 -21.1737 -7.9303 -7.9303 -7.8897 -7.8897 -6.2487 -6.2487 -6.1374 -6.1374 -5.8332 -5.8332 -5.8001 -5.8001 -4.9472 -4.9472 -4.8090 -4.8090 -3.0938 -3.0938 -2.9158 -2.9158 2.3679 2.3679 2.9635 2.9635 3.0912 3.0912 3.2675 3.2675 4.3389 4.3389 4.4004 4.4004 4.7217 4.7217 5.2209 5.2209 5.5276 5.5276 5.9949 5.9949 7.4909 7.4909 8.0907 8.0907 9.0857 9.0857 9.3034 9.3034 k = 0.4630 0.5284 0.2959 ( 6107 PWs) bands (ev): -21.1863 -21.1863 -21.1737 -21.1737 -7.9321 -7.9321 -7.8902 -7.8902 -6.2591 -6.2591 -6.1349 -6.1349 -5.8337 -5.8337 -5.7969 -5.7969 -4.9367 -4.9367 -4.8135 -4.8135 -3.0811 -3.0811 -2.9120 -2.9120 2.3657 2.3657 2.9272 2.9272 3.0986 3.0986 3.2616 3.2616 4.2937 4.2937 4.3857 4.3857 4.7115 4.7115 5.2448 5.2448 5.5355 5.5355 6.0461 6.0461 7.5173 7.5173 8.1239 8.1239 9.1303 9.1303 9.2930 9.2930 k = 0.4722 0.5390 0.2799 ( 6099 PWs) bands (ev): -21.1863 -21.1863 -21.1737 -21.1737 -7.9338 -7.9338 -7.8907 -7.8907 -6.2689 -6.2689 -6.1321 -6.1321 -5.8343 -5.8343 -5.7941 -5.7941 -4.9265 -4.9265 -4.8183 -4.8183 -3.0686 -3.0686 -2.9085 -2.9085 2.3662 2.3662 2.8928 2.8928 3.1048 3.1048 3.2595 3.2595 4.2445 4.2445 4.3667 4.3667 4.7016 4.7016 5.2682 5.2682 5.5403 5.5403 6.0995 6.0995 7.5517 7.5517 8.1582 8.1582 9.1768 9.1768 9.2861 9.2861 k = 0.4815 0.5495 0.2639 ( 6097 PWs) bands (ev): -21.1863 -21.1863 -21.1737 -21.1737 -7.9354 -7.9354 -7.8912 -7.8912 -6.2780 -6.2780 -6.1292 -6.1292 -5.8350 -5.8350 -5.7915 -5.7915 -4.9168 -4.9168 -4.8231 -4.8231 -3.0564 -3.0564 -2.9051 -2.9051 2.3694 2.3694 2.8608 2.8608 3.1101 3.1101 3.2608 3.2608 4.1936 4.1936 4.3414 4.3414 4.6924 4.6924 5.2912 5.2912 5.5425 5.5425 6.1542 6.1542 7.5933 7.5933 8.1932 8.1932 9.2197 9.2197 9.2861 9.2861 k = 0.4907 0.5601 0.2478 ( 6094 PWs) bands (ev): -21.1862 -21.1862 -21.1738 -21.1738 -7.9368 -7.9368 -7.8917 -7.8917 -6.2865 -6.2865 -6.1261 -6.1261 -5.8358 -5.8358 -5.7893 -5.7893 -4.9080 -4.9080 -4.8278 -4.8278 -3.0447 -3.0447 -2.9020 -2.9020 2.3751 2.3751 2.8318 2.8318 3.1150 3.1150 3.2646 3.2646 4.1423 4.1423 4.3096 4.3096 4.6844 4.6844 5.3135 5.3135 5.5427 5.5427 6.2093 6.2093 7.6408 7.6408 8.2285 8.2285 9.2369 9.2369 9.3091 9.3091 k = 0.5000 0.5707 0.2318 ( 6100 PWs) bands (ev): -21.1861 -21.1861 -21.1739 -21.1739 -7.9379 -7.9379 -7.8922 -7.8922 -6.2943 -6.2943 -6.1229 -6.1229 -5.8367 -5.8367 -5.7874 -5.7874 -4.9004 -4.9004 -4.8321 -4.8321 -3.0339 -3.0339 -2.8990 -2.8990 2.3832 2.3832 2.8058 2.8058 3.1202 3.1202 3.2702 3.2702 4.0913 4.0913 4.2721 4.2721 4.6775 4.6775 5.3348 5.3348 5.5413 5.5413 6.2642 6.2642 7.6931 7.6931 8.2637 8.2637 9.2121 9.2121 9.3380 9.3380 k = 0.5000 0.5707 0.2318 ( 6100 PWs) bands (ev): -21.1861 -21.1861 -21.1739 -21.1739 -7.9379 -7.9379 -7.8922 -7.8922 -6.2943 -6.2943 -6.1229 -6.1229 -5.8367 -5.8367 -5.7874 -5.7874 -4.9004 -4.9004 -4.8321 -4.8321 -3.0339 -3.0339 -2.8990 -2.8990 2.3832 2.3832 2.8058 2.8058 3.1202 3.1202 3.2702 3.2702 4.0913 4.0913 4.2721 4.2721 4.6775 4.6775 5.3348 5.3348 5.5413 5.5413 6.2642 6.2642 7.6931 7.6931 8.2637 8.2637 9.2121 9.2121 9.3380 9.3380 k = 0.5000 0.5707 0.2107 ( 6092 PWs) bands (ev): -21.1859 -21.1859 -21.1740 -21.1740 -7.9393 -7.9393 -7.8929 -7.8929 -6.3035 -6.3035 -6.1189 -6.1189 -5.8376 -5.8376 -5.7851 -5.7851 -4.8925 -4.8925 -4.8364 -4.8364 -3.0211 -3.0211 -2.8948 -2.8948 2.3979 2.3979 2.7751 2.7751 3.1280 3.1280 3.2788 3.2788 4.0252 4.0252 4.2157 4.2157 4.6706 4.6706 5.3611 5.3611 5.5383 5.5383 6.3354 6.3354 7.7669 7.7669 8.3088 8.3088 9.1515 9.1515 9.2946 9.2946 k = 0.5000 0.5707 0.1897 ( 6092 PWs) bands (ev): -21.1858 -21.1858 -21.1741 -21.1741 -7.9406 -7.9406 -7.8936 -7.8936 -6.3121 -6.3121 -6.1153 -6.1153 -5.8380 -5.8380 -5.7830 -5.7830 -4.8878 -4.8878 -4.8383 -4.8383 -3.0099 -3.0099 -2.8902 -2.8902 2.4170 2.4170 2.7467 2.7467 3.1371 3.1371 3.2880 3.2880 3.9603 3.9603 4.1536 4.1536 4.6664 4.6664 5.3850 5.3850 5.5348 5.5348 6.4049 6.4049 7.8438 7.8438 8.3521 8.3521 9.0933 9.0933 9.2449 9.2449 k = 0.5000 0.5707 0.1686 ( 6098 PWs) bands (ev): -21.1857 -21.1857 -21.1742 -21.1742 -7.9418 -7.9418 -7.8942 -7.8942 -6.3197 -6.3197 -6.1121 -6.1121 -5.8381 -5.8381 -5.7810 -5.7810 -4.8864 -4.8864 -4.8373 -4.8373 -3.0006 -3.0006 -2.8852 -2.8852 2.4399 2.4399 2.7210 2.7210 3.1481 3.1481 3.2969 3.2969 3.8972 3.8972 4.0886 4.0886 4.6642 4.6642 5.4064 5.4064 5.5314 5.5314 6.4714 6.4714 7.9212 7.9212 8.3938 8.3938 9.0396 9.0396 9.1954 9.1954 k = 0.5000 0.5707 0.1475 ( 6102 PWs) bands (ev): -21.1856 -21.1856 -21.1743 -21.1743 -7.9429 -7.9429 -7.8948 -7.8948 -6.3266 -6.3266 -6.1094 -6.1094 -5.8377 -5.8377 -5.7791 -5.7791 -4.8877 -4.8877 -4.8341 -4.8341 -2.9929 -2.9929 -2.8799 -2.8799 2.4658 2.4658 2.6979 2.6979 3.1612 3.1612 3.3049 3.3049 3.8359 3.8359 4.0237 4.0237 4.6634 4.6634 5.4250 5.4250 5.5284 5.5284 6.5338 6.5338 7.9965 7.9965 8.4342 8.4342 8.9913 8.9913 9.1462 9.1462 k = 0.5000 0.5707 0.1264 ( 6094 PWs) bands (ev): -21.1855 -21.1855 -21.1744 -21.1744 -7.9438 -7.9438 -7.8953 -7.8953 -6.3326 -6.3326 -6.1071 -6.1071 -5.8372 -5.8372 -5.7775 -5.7775 -4.8906 -4.8906 -4.8299 -4.8299 -2.9868 -2.9868 -2.8746 -2.8746 2.4937 2.4937 2.6777 2.6777 3.1764 3.1764 3.3114 3.3114 3.7770 3.7770 3.9618 3.9618 4.6634 4.6634 5.4406 5.4406 5.5262 5.5262 6.5910 6.5910 8.0672 8.0672 8.4738 8.4738 8.9487 8.9487 9.0974 9.0974 k = 0.5000 0.5707 0.1054 ( 6076 PWs) bands (ev): -21.1854 -21.1854 -21.1745 -21.1745 -7.9447 -7.9447 -7.8957 -7.8957 -6.3377 -6.3377 -6.1052 -6.1052 -5.8364 -5.8364 -5.7761 -5.7761 -4.8939 -4.8939 -4.8255 -4.8255 -2.9821 -2.9821 -2.8695 -2.8695 2.5223 2.5223 2.6604 2.6604 3.1935 3.1935 3.3162 3.3162 3.7207 3.7207 3.9054 3.9054 4.6639 4.6639 5.4530 5.4530 5.5250 5.5250 6.6418 6.6418 8.1308 8.1308 8.5131 8.5131 8.9122 8.9122 9.0491 9.0491 k = 0.5000 0.5707 0.0843 ( 6060 PWs) bands (ev): -21.1853 -21.1853 -21.1745 -21.1745 -7.9454 -7.9454 -7.8961 -7.8961 -6.3418 -6.3418 -6.1038 -6.1038 -5.8357 -5.8357 -5.7749 -5.7749 -4.8972 -4.8972 -4.8215 -4.8215 -2.9786 -2.9786 -2.8649 -2.8649 2.5499 2.5499 2.6462 2.6462 3.2121 3.2121 3.3192 3.3192 3.6680 3.6680 3.8569 3.8569 4.6646 4.6646 5.4623 5.4623 5.5249 5.5249 6.6852 6.6852 8.1851 8.1851 8.5526 8.5526 8.8822 8.8822 9.0016 9.0016 k = 0.5000 0.5707 0.0632 ( 6064 PWs) bands (ev): -21.1853 -21.1853 -21.1746 -21.1746 -7.9460 -7.9460 -7.8964 -7.8964 -6.3451 -6.3451 -6.1026 -6.1026 -5.8350 -5.8350 -5.7739 -5.7739 -4.8999 -4.8999 -4.8182 -4.8182 -2.9761 -2.9761 -2.8610 -2.8610 2.5747 2.5747 2.6349 2.6349 3.2312 3.2312 3.3206 3.3206 3.6206 3.6206 3.8180 3.8180 4.6654 4.6654 5.4685 5.4685 5.5258 5.5258 6.7202 6.7202 8.2283 8.2283 8.5918 8.5918 8.8591 8.8591 8.9558 8.9558 k = 0.5000 0.5707 0.0421 ( 6068 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9464 -7.9464 -7.8967 -7.8967 -6.3474 -6.3474 -6.1019 -6.1019 -5.8344 -5.8344 -5.7733 -5.7733 -4.9021 -4.9021 -4.8157 -4.8157 -2.9744 -2.9744 -2.8581 -2.8581 2.5947 2.5947 2.6266 2.6266 3.2490 3.2490 3.3207 3.3207 3.5815 3.5815 3.7898 3.7898 4.6660 4.6660 5.4722 5.4722 5.5271 5.5271 6.7458 6.7458 8.2595 8.2595 8.6287 8.6287 8.8434 8.8434 8.9134 8.9134 k = 0.5000 0.5707 0.0211 ( 6066 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9466 -7.9466 -7.8968 -7.8968 -6.3488 -6.3488 -6.1014 -6.1014 -5.8341 -5.8341 -5.7728 -5.7728 -4.9034 -4.9034 -4.8142 -4.8142 -2.9735 -2.9735 -2.8563 -2.8563 2.6084 2.6084 2.6208 2.6208 3.2622 3.2622 3.3203 3.3203 3.5549 3.5549 3.7727 3.7727 4.6664 4.6664 5.4741 5.4741 5.5282 5.5282 6.7615 6.7615 8.2781 8.2781 8.6581 8.6581 8.8362 8.8362 8.8789 8.8789 k = 0.5000 0.5707-0.0000 ( 6068 PWs) bands (ev): -21.1852 -21.1852 -21.1746 -21.1746 -7.9467 -7.9467 -7.8968 -7.8968 -6.3493 -6.3493 -6.1013 -6.1013 -5.8339 -5.8339 -5.7727 -5.7727 -4.9038 -4.9038 -4.8137 -4.8137 -2.9732 -2.9732 -2.8557 -2.8557 2.6159 2.6159 2.6162 2.6162 3.2673 3.2673 3.3201 3.3201 3.5453 3.5453 3.7670 3.7670 4.6665 4.6665 5.4747 5.4747 5.5287 5.5287 6.7668 6.7668 8.2843 8.2843 8.6700 8.6700 8.8359 8.8359 8.8632 8.8632 k = 0.0000 0.0000 0.6648 ( 6126 PWs) bands (ev): -21.1885 -21.1885 -21.1717 -21.1717 -7.9169 -7.9169 -7.8831 -7.8831 -6.2076 -6.2076 -6.0888 -6.0888 -5.8198 -5.8198 -5.7706 -5.7706 -5.1473 -5.1473 -4.7218 -4.7218 -3.3116 -3.3116 -2.9342 -2.9342 2.9083 2.9083 3.0291 3.0291 3.4413 3.4413 3.6029 3.6029 3.8856 3.8856 4.4691 4.4691 4.4799 4.4799 4.7825 4.7825 5.4578 5.4578 5.9049 5.9049 7.3538 7.3538 8.2980 8.2980 8.4927 8.4927 9.9937 9.9937 k = 0.0139 0.0159 0.6648 ( 6126 PWs) bands (ev): -21.1885 -21.1885 -21.1718 -21.1718 -7.9168 -7.9168 -7.8832 -7.8832 -6.2072 -6.2072 -6.0886 -6.0886 -5.8206 -5.8206 -5.7711 -5.7711 -5.1461 -5.1461 -4.7224 -4.7224 -3.3108 -3.3108 -2.9349 -2.9349 2.9082 2.9082 3.0287 3.0287 3.4416 3.4416 3.6028 3.6028 3.8853 3.8853 4.4720 4.4720 4.4784 4.4784 4.7844 4.7844 5.4560 5.4560 5.9026 5.9026 7.3571 7.3571 8.2965 8.2965 8.4949 8.4949 9.9810 9.9810 k = 0.0278 0.0317 0.6648 ( 6136 PWs) bands (ev): -21.1884 -21.1884 -21.1718 -21.1718 -7.9164 -7.9164 -7.8832 -7.8832 -6.2062 -6.2062 -6.0883 -6.0883 -5.8228 -5.8228 -5.7728 -5.7728 -5.1425 -5.1425 -4.7243 -4.7243 -3.3083 -3.3083 -2.9368 -2.9368 2.9082 2.9082 3.0275 3.0275 3.4426 3.4426 3.6026 3.6026 3.8843 3.8843 4.4734 4.4734 4.4809 4.4809 4.7901 4.7901 5.4507 5.4507 5.8957 5.8957 7.3669 7.3669 8.2921 8.2921 8.5012 8.5012 9.9458 9.9458 k = 0.0417 0.0476 0.6648 ( 6130 PWs) bands (ev): -21.1882 -21.1882 -21.1720 -21.1720 -7.9159 -7.9159 -7.8834 -7.8834 -6.2045 -6.2045 -6.0878 -6.0878 -5.8265 -5.8265 -5.7754 -5.7754 -5.1366 -5.1366 -4.7274 -4.7274 -3.3043 -3.3043 -2.9399 -2.9399 2.9081 2.9081 3.0255 3.0255 3.4443 3.4443 3.6021 3.6021 3.8833 3.8833 4.4658 4.4658 4.4948 4.4948 4.7996 4.7996 5.4419 5.4419 5.8844 5.8844 7.3830 7.3830 8.2848 8.2848 8.5119 8.5119 9.8944 9.8944 k = 0.0556 0.0634 0.6648 ( 6130 PWs) bands (ev): -21.1880 -21.1880 -21.1722 -21.1722 -7.9152 -7.9152 -7.8836 -7.8836 -6.2021 -6.2021 -6.0871 -6.0871 -5.8314 -5.8314 -5.7791 -5.7791 -5.1286 -5.1286 -4.7318 -4.7318 -3.2986 -3.2986 -2.9444 -2.9444 2.9081 2.9081 3.0228 3.0228 3.4465 3.4465 3.6012 3.6012 3.8827 3.8827 4.4552 4.4552 4.5135 4.5135 4.8128 4.8128 5.4299 5.4299 5.8690 5.8690 7.4049 7.4049 8.2748 8.2748 8.5269 8.5269 9.8336 9.8336 k = 0.0694 0.0793 0.6648 ( 6122 PWs) bands (ev): -21.1877 -21.1877 -21.1725 -21.1725 -7.9144 -7.9144 -7.8838 -7.8838 -6.1991 -6.1991 -6.0862 -6.0862 -5.8373 -5.8373 -5.7837 -5.7837 -5.1186 -5.1186 -4.7374 -4.7374 -3.2914 -3.2914 -2.9500 -2.9500 2.9081 2.9081 3.0193 3.0193 3.4492 3.4492 3.5995 3.5995 3.8834 3.8834 4.4419 4.4419 4.5363 4.5363 4.8298 4.8298 5.4147 5.4147 5.8495 5.8495 7.4321 7.4321 8.2622 8.2622 8.5465 8.5465 9.7689 9.7689 k = 0.0833 0.0951 0.6648 ( 6114 PWs) bands (ev): -21.1874 -21.1874 -21.1729 -21.1729 -7.9133 -7.9133 -7.8841 -7.8841 -6.1954 -6.1954 -6.0854 -6.0854 -5.8440 -5.8440 -5.7892 -5.7892 -5.1069 -5.1069 -4.7441 -4.7441 -3.2828 -3.2828 -2.9568 -2.9568 2.9083 2.9083 3.0152 3.0152 3.4523 3.4523 3.5968 3.5968 3.8861 3.8861 4.4259 4.4259 4.5625 4.5625 4.8503 4.8503 5.3967 5.3967 5.8264 5.8264 7.4640 7.4640 8.2472 8.2472 8.5706 8.5706 9.7042 9.7042 k = 0.0972 0.1110 0.6648 ( 6114 PWs) bands (ev): -21.1870 -21.1870 -21.1732 -21.1732 -7.9121 -7.9121 -7.8845 -7.8845 -6.1911 -6.1911 -6.0846 -6.0846 -5.8510 -5.8510 -5.7955 -5.7955 -5.0935 -5.0935 -4.7520 -4.7520 -3.2729 -3.2729 -2.9648 -2.9648 2.9088 2.9088 3.0105 3.0105 3.4557 3.4557 3.5930 3.5930 3.8912 3.8912 4.4076 4.4076 4.5914 4.5914 4.8742 4.8742 5.3762 5.3762 5.8000 5.8000 7.4999 7.4999 8.2301 8.2301 8.5996 8.5996 9.6423 9.6423 k = 0.1111 0.1268 0.6648 ( 6114 PWs) bands (ev): -21.1866 -21.1866 -21.1737 -21.1737 -7.9108 -7.9108 -7.8850 -7.8850 -6.1862 -6.1862 -6.0841 -6.0841 -5.8583 -5.8583 -5.8024 -5.8024 -5.0789 -5.0789 -4.7611 -4.7611 -3.2618 -3.2618 -2.9738 -2.9738 2.9096 2.9096 3.0053 3.0053 3.4594 3.4594 3.5880 3.5880 3.8993 3.8993 4.3872 4.3872 4.6223 4.6223 4.9013 4.9013 5.3535 5.3535 5.7705 5.7705 7.5389 7.5389 8.2110 8.2110 8.6334 8.6334 9.5853 9.5853 k = 0.1250 0.1427 0.6648 ( 6126 PWs) bands (ev): -21.1861 -21.1861 -21.1742 -21.1742 -7.9094 -7.9094 -7.8856 -7.8856 -6.1808 -6.1808 -6.0839 -6.0839 -5.8653 -5.8653 -5.8098 -5.8098 -5.0631 -5.0631 -4.7712 -4.7712 -3.2495 -3.2495 -2.9840 -2.9840 2.9107 2.9107 2.9996 2.9996 3.4634 3.4634 3.5820 3.5820 3.9104 3.9104 4.3648 4.3648 4.6548 4.6548 4.9310 4.9310 5.3292 5.3292 5.7382 5.7382 7.5803 7.5803 8.1903 8.1903 8.6725 8.6725 9.5347 9.5347 k = 0.1389 0.1585 0.6648 ( 6118 PWs) bands (ev): -21.1855 -21.1855 -21.1747 -21.1747 -7.9078 -7.9078 -7.8862 -7.8862 -6.1748 -6.1748 -6.0841 -6.0841 -5.8717 -5.8717 -5.8177 -5.8177 -5.0465 -5.0465 -4.7824 -4.7824 -3.2363 -3.2363 -2.9951 -2.9951 2.9122 2.9122 2.9936 2.9936 3.4676 3.4676 3.5749 3.5749 3.9245 3.9245 4.3407 4.3407 4.6885 4.6885 4.9627 4.9627 5.3041 5.3041 5.7035 5.7035 7.6232 7.6232 8.1680 8.1680 8.7168 8.7168 9.4918 9.4918 k = 0.1528 0.1744 0.6648 ( 6124 PWs) bands (ev): -21.1849 -21.1849 -21.1753 -21.1753 -7.9062 -7.9062 -7.8869 -7.8869 -6.1683 -6.1683 -6.0851 -6.0851 -5.8773 -5.8773 -5.8259 -5.8259 -5.0292 -5.0292 -4.7945 -4.7945 -3.2222 -3.2222 -3.0071 -3.0071 2.9143 2.9143 2.9874 2.9874 3.4720 3.4720 3.5672 3.5672 3.9415 3.9415 4.3151 4.3151 4.7230 4.7230 4.9949 4.9949 5.2795 5.2795 5.6666 5.6666 7.6669 7.6669 8.1444 8.1444 8.7666 8.7666 9.4575 9.4575 k = 0.1667 0.1902 0.6648 ( 6126 PWs) bands (ev): -21.1843 -21.1843 -21.1759 -21.1759 -7.9046 -7.9046 -7.8878 -7.8878 -6.1615 -6.1615 -6.0868 -6.0868 -5.8818 -5.8818 -5.8342 -5.8342 -5.0113 -5.0113 -4.8076 -4.8076 -3.2074 -3.2074 -3.0200 -3.0200 2.9168 2.9168 2.9809 2.9809 3.4767 3.4767 3.5591 3.5591 3.9611 3.9611 4.2883 4.2883 4.7582 4.7582 5.0252 5.0252 5.2576 5.2576 5.6277 5.6277 7.7106 7.7106 8.1196 8.1196 8.8222 8.8222 9.4326 9.4326 k = 0.1806 0.2061 0.6648 ( 6138 PWs) bands (ev): -21.1837 -21.1837 -21.1766 -21.1766 -7.9029 -7.9029 -7.8887 -7.8887 -6.1542 -6.1542 -6.0895 -6.0895 -5.8848 -5.8848 -5.8424 -5.8424 -4.9932 -4.9932 -4.8215 -4.8215 -3.1920 -3.1920 -3.0337 -3.0337 2.9198 2.9198 2.9743 2.9743 3.4816 3.4816 3.5507 3.5507 3.9829 3.9829 4.2605 4.2605 4.7938 4.7938 5.0489 5.0489 5.2430 5.2430 5.5871 5.5871 7.7536 7.7536 8.0937 8.0937 8.8836 8.8836 9.4176 9.4176 k = 0.1944 0.2219 0.6648 ( 6128 PWs) bands (ev): -21.1830 -21.1830 -21.1773 -21.1773 -7.9013 -7.9013 -7.8898 -7.8898 -6.1467 -6.1467 -6.0931 -6.0931 -5.8864 -5.8864 -5.8505 -5.8505 -4.9748 -4.9748 -4.8363 -4.8363 -3.1762 -3.1762 -3.0481 -3.0481 2.9234 2.9234 2.9677 2.9677 3.4869 3.4869 3.5423 3.5423 4.0066 4.0066 4.2319 4.2319 4.8297 4.8297 5.0591 5.0591 5.2425 5.2425 5.5451 5.5451 7.7954 7.7954 8.0666 8.0666 8.9509 8.9509 9.4128 9.4128 k = 0.2083 0.2378 0.6648 ( 6116 PWs) bands (ev): -21.1823 -21.1823 -21.1780 -21.1780 -7.8996 -7.8996 -7.8909 -7.8909 -6.1391 -6.1391 -6.0978 -6.0978 -5.8864 -5.8864 -5.8582 -5.8582 -4.9564 -4.9564 -4.8518 -4.8518 -3.1600 -3.1600 -3.0631 -3.0631 2.9275 2.9275 2.9612 2.9612 3.4925 3.4925 3.5341 3.5341 4.0321 4.0321 4.2028 4.2028 4.8657 4.8657 5.0519 5.0519 5.2597 5.2597 5.5020 5.5020 7.8356 7.8356 8.0383 8.0383 9.0241 9.0241 9.4185 9.4185 k = 0.2222 0.2536 0.6648 ( 6116 PWs) bands (ev): -21.1816 -21.1816 -21.1787 -21.1787 -7.8980 -7.8980 -7.8922 -7.8922 -6.1314 -6.1314 -6.1033 -6.1033 -5.8848 -5.8848 -5.8654 -5.8654 -4.9381 -4.9381 -4.8680 -4.8680 -3.1436 -3.1436 -3.0785 -3.0785 2.9321 2.9321 2.9549 2.9549 3.4984 3.4984 3.5262 3.5262 4.0588 4.0588 4.1735 4.1735 4.9015 4.9015 5.0312 5.0312 5.2905 5.2905 5.4581 5.4581 7.8740 7.8740 8.0087 8.0087 9.1030 9.1030 9.4347 9.4347 k = 0.2361 0.2695 0.6648 ( 6120 PWs) bands (ev): -21.1809 -21.1809 -21.1794 -21.1794 -7.8964 -7.8964 -7.8935 -7.8935 -6.1238 -6.1238 -6.1096 -6.1096 -5.8817 -5.8817 -5.8718 -5.8718 -4.9201 -4.9201 -4.8848 -4.8848 -3.1272 -3.1272 -3.0944 -3.0944 2.9372 2.9372 2.9487 2.9487 3.5048 3.5048 3.5186 3.5186 4.0866 4.0866 4.1442 4.1442 4.9369 4.9369 5.0031 5.0031 5.3287 5.3287 5.4140 5.4140 7.9103 7.9103 7.9776 7.9776 9.1872 9.1872 9.3684 9.3684 k = 0.2500 0.2853 0.6648 ( 6124 PWs) bands (ev): -21.1801 -21.1801 -21.1801 -21.1801 -7.8949 -7.8949 -7.8949 -7.8949 -6.1165 -6.1165 -6.1165 -6.1165 -5.8773 -5.8773 -5.8773 -5.8773 -4.9024 -4.9024 -4.9020 -4.9020 -3.1109 -3.1109 -3.1106 -3.1106 2.9426 2.9426 2.9429 2.9429 3.5113 3.5113 3.5116 3.5116 4.1150 4.1150 4.1153 4.1153 4.9709 4.9709 4.9711 4.9711 5.3704 5.3704 5.3706 5.3706 7.9448 7.9448 7.9450 7.9450 9.2761 9.2761 9.2761 9.2761 Writing output data file BaTe2.save init_run : 0.34s CPU 0.48s WALL ( 1 calls) electrons : 788.71s CPU 792.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 788.70s CPU 792.94s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.08s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.03s WALL ( 253 calls) cegterg : 756.17s CPU 759.89s WALL ( 625 calls) Called by sum_band: Called by *egterg: h_psi : 367.90s CPU 370.89s WALL ( 11075 calls) s_psi : 7.81s CPU 7.91s WALL ( 11075 calls) g_psi : 0.19s CPU 0.19s WALL ( 10197 calls) cdiaghg : 358.81s CPU 359.56s WALL ( 10450 calls) cegterg:over : 24.09s CPU 24.35s WALL ( 10197 calls) cegterg:upda : 9.44s CPU 9.55s WALL ( 10197 calls) cegterg:last : 7.06s CPU 7.14s WALL ( 1384 calls) cdiaghg:chol : 12.37s CPU 12.33s WALL ( 10450 calls) cdiaghg:inve : 6.25s CPU 6.39s WALL ( 10450 calls) cdiaghg:para : 41.82s CPU 41.81s WALL ( 20900 calls) Called by h_psi: h_psi:vloc : 345.92s CPU 348.56s WALL ( 11075 calls) h_psi:vnl : 21.81s CPU 22.15s WALL ( 11075 calls) add_vuspsi : 9.15s CPU 9.24s WALL ( 11075 calls) General routines calbec : 12.62s CPU 12.88s WALL ( 11075 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 342.22s CPU 344.72s WALL ( 799108 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.28s WALL ( 506 calls) Parallel routines fft_scatter : 299.64s CPU 301.48s WALL ( 799131 calls) PWSCF : 14m14.67s CPU 14m34.51s WALL This run was terminated on: 0: 8:37 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=