Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:27: 8 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BeBr2.save/ file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 280 104 28 13063 2943 427 Max 281 105 29 13067 2977 430 Sum 10113 3771 1043 470369 106685 15457 bravais-lattice index = 14 lattice parameter (alat) = 12.3196 a.u. unit-cell volume = 1083.7539 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.319602 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.638537 celldm(5)= -0.635138 celldm(6)= 0.273675 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.273675 0.961822 0.000000 ) a(3) = ( -0.635138 -0.483162 0.602623 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.284538 0.825823 ) b(2) = ( 0.000000 1.039693 0.833589 ) b(3) = ( 0.000000 0.000000 1.659412 ) PseudoPot. # 1 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Br 7.00 79.90400 Br( 1.00) Be 4.00 9.01220 Be( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 324 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( -0.0086743 0.0114868 0.0144616), wk = 0.0030864 k( 3) = ( -0.0173486 0.0229735 0.0289232), wk = 0.0030864 k( 4) = ( -0.0260229 0.0344603 0.0433848), wk = 0.0030864 k( 5) = ( -0.0346972 0.0459471 0.0578463), wk = 0.0030864 k( 6) = ( -0.0433715 0.0574338 0.0723079), wk = 0.0030864 k( 7) = ( -0.0520458 0.0689206 0.0867695), wk = 0.0030864 k( 8) = ( -0.0607201 0.0804074 0.1012311), wk = 0.0030864 k( 9) = ( -0.0693943 0.0918941 0.1156927), wk = 0.0030864 k( 10) = ( -0.0780687 0.1033809 0.1301543), wk = 0.0030864 k( 11) = ( -0.0867429 0.1148677 0.1446158), wk = 0.0030864 k( 12) = ( -0.0954172 0.1263544 0.1590774), wk = 0.0030864 k( 13) = ( -0.1040915 0.1378412 0.1735390), wk = 0.0030864 k( 14) = ( -0.1127658 0.1493280 0.1880006), wk = 0.0030864 k( 15) = ( -0.1214401 0.1608147 0.2024622), wk = 0.0030864 k( 16) = ( -0.1301144 0.1723015 0.2169238), wk = 0.0030864 k( 17) = ( -0.1387887 0.1837883 0.2313854), wk = 0.0030864 k( 18) = ( -0.1474630 0.1952750 0.2458469), wk = 0.0030864 k( 19) = ( -0.1561373 0.2067618 0.2603085), wk = 0.0030864 k( 20) = ( -0.1648116 0.2182486 0.2747701), wk = 0.0030864 k( 21) = ( -0.1734859 0.2297353 0.2892317), wk = 0.0030864 k( 22) = ( -0.1821602 0.2412221 0.3036933), wk = 0.0030864 k( 23) = ( -0.1908345 0.2527089 0.3181549), wk = 0.0030864 k( 24) = ( -0.1995088 0.2641956 0.3326165), wk = 0.0030864 k( 25) = ( -0.2081831 0.2756824 0.3470780), wk = 0.0030864 k( 26) = ( -0.2168574 0.2871692 0.3615396), wk = 0.0030864 k( 27) = ( -0.2255317 0.2986559 0.3760012), wk = 0.0030864 k( 28) = ( -0.2342059 0.3101427 0.3904628), wk = 0.0030864 k( 29) = ( -0.2428802 0.3216295 0.4049244), wk = 0.0030864 k( 30) = ( -0.2515545 0.3331162 0.4193860), wk = 0.0030864 k( 31) = ( -0.2602288 0.3446030 0.4338476), wk = 0.0030864 k( 32) = ( -0.2689031 0.3560898 0.4483091), wk = 0.0030864 k( 33) = ( -0.2775774 0.3675765 0.4627707), wk = 0.0030864 k( 34) = ( -0.2862517 0.3790633 0.4772323), wk = 0.0030864 k( 35) = ( -0.2949260 0.3905501 0.4916939), wk = 0.0030864 k( 36) = ( -0.3036003 0.4020368 0.5061555), wk = 0.0030864 k( 37) = ( -0.3122746 0.4135236 0.5206171), wk = 0.0030864 k( 38) = ( -0.3209489 0.4250104 0.5350786), wk = 0.0030864 k( 39) = ( -0.3209489 0.4250104 0.5350786), wk = 0.0030864 k( 40) = ( -0.3124544 0.4137617 0.5491085), wk = 0.0030864 k( 41) = ( -0.3039599 0.4025131 0.5631384), wk = 0.0030864 k( 42) = ( -0.2954655 0.3912645 0.5771682), wk = 0.0030864 k( 43) = ( -0.2869710 0.3800158 0.5911981), wk = 0.0030864 k( 44) = ( -0.2784765 0.3687672 0.6052280), wk = 0.0030864 k( 45) = ( -0.2699820 0.3575185 0.6192579), wk = 0.0030864 k( 46) = ( -0.2614876 0.3462699 0.6332877), wk = 0.0030864 k( 47) = ( -0.2529931 0.3350212 0.6473176), wk = 0.0030864 k( 48) = ( -0.2444986 0.3237726 0.6613475), wk = 0.0030864 k( 49) = ( -0.2360041 0.3125239 0.6753773), wk = 0.0030864 k( 50) = ( -0.2275097 0.3012753 0.6894072), wk = 0.0030864 k( 51) = ( -0.2190152 0.2900266 0.7034371), wk = 0.0030864 k( 52) = ( -0.2105207 0.2787780 0.7174669), wk = 0.0030864 k( 53) = ( -0.2020262 0.2675294 0.7314968), wk = 0.0030864 k( 54) = ( -0.1935318 0.2562807 0.7455267), wk = 0.0030864 k( 55) = ( -0.1850373 0.2450321 0.7595565), wk = 0.0030864 k( 56) = ( -0.1765428 0.2337834 0.7735864), wk = 0.0030864 k( 57) = ( -0.1680484 0.2225348 0.7876163), wk = 0.0030864 k( 58) = ( -0.1595539 0.2112861 0.8016461), wk = 0.0030864 k( 59) = ( -0.1510594 0.2000375 0.8156760), wk = 0.0030864 k( 60) = ( -0.1425649 0.1887888 0.8297059), wk = 0.0030864 k( 61) = ( -0.1425649 0.1887888 0.8297059), wk = 0.0030864 k( 62) = ( -0.1306845 0.1730564 0.8297059), wk = 0.0030864 k( 63) = ( -0.1188041 0.1573240 0.8297059), wk = 0.0030864 k( 64) = ( -0.1069237 0.1415916 0.8297059), wk = 0.0030864 k( 65) = ( -0.0950433 0.1258592 0.8297059), wk = 0.0030864 k( 66) = ( -0.0831629 0.1101268 0.8297059), wk = 0.0030864 k( 67) = ( -0.0712825 0.0943944 0.8297059), wk = 0.0030864 k( 68) = ( -0.0594020 0.0786620 0.8297059), wk = 0.0030864 k( 69) = ( -0.0475216 0.0629296 0.8297059), wk = 0.0030864 k( 70) = ( -0.0356412 0.0471972 0.8297059), wk = 0.0030864 k( 71) = ( -0.0237608 0.0314648 0.8297059), wk = 0.0030864 k( 72) = ( -0.0118804 0.0157324 0.8297059), wk = 0.0030864 k( 73) = ( 0.0000000 0.0000000 0.8297059), wk = 0.0030864 k( 74) = ( 0.0000000 0.0000000 0.8297059), wk = 0.0030864 k( 75) = ( 0.0156250 0.0117993 0.8297059), wk = 0.0030864 k( 76) = ( 0.0312500 0.0235986 0.8297059), wk = 0.0030864 k( 77) = ( 0.0468750 0.0353979 0.8297059), wk = 0.0030864 k( 78) = ( 0.0625000 0.0471972 0.8297059), wk = 0.0030864 k( 79) = ( 0.0781250 0.0589965 0.8297059), wk = 0.0030864 k( 80) = ( 0.0937500 0.0707958 0.8297059), wk = 0.0030864 k( 81) = ( 0.1093750 0.0825951 0.8297059), wk = 0.0030864 k( 82) = ( 0.1250000 0.0943944 0.8297059), wk = 0.0030864 k( 83) = ( 0.1406250 0.1061937 0.8297059), wk = 0.0030864 k( 84) = ( 0.1562500 0.1179930 0.8297059), wk = 0.0030864 k( 85) = ( 0.1718750 0.1297923 0.8297059), wk = 0.0030864 k( 86) = ( 0.1875000 0.1415916 0.8297059), wk = 0.0030864 k( 87) = ( 0.2031250 0.1533909 0.8297059), wk = 0.0030864 k( 88) = ( 0.2187500 0.1651902 0.8297059), wk = 0.0030864 k( 89) = ( 0.2343750 0.1769895 0.8297059), wk = 0.0030864 k( 90) = ( 0.2500000 0.1887889 0.8297059), wk = 0.0030864 k( 91) = ( 0.2500000 0.1887889 0.8297059), wk = 0.0030864 k( 92) = ( 0.2413793 0.2002046 0.8154675), wk = 0.0030864 k( 93) = ( 0.2327586 0.2116204 0.8012292), wk = 0.0030864 k( 94) = ( 0.2241379 0.2230362 0.7869909), wk = 0.0030864 k( 95) = ( 0.2155172 0.2344520 0.7727525), wk = 0.0030864 k( 96) = ( 0.2068966 0.2458678 0.7585142), wk = 0.0030864 k( 97) = ( 0.1982759 0.2572835 0.7442759), wk = 0.0030864 k( 98) = ( 0.1896552 0.2686993 0.7300376), wk = 0.0030864 k( 99) = ( 0.1810345 0.2801151 0.7157992), wk = 0.0030864 k( 100) = ( 0.1724138 0.2915309 0.7015609), wk = 0.0030864 k( 101) = ( 0.1637931 0.3029467 0.6873226), wk = 0.0030864 k( 102) = ( 0.1551724 0.3143625 0.6730842), wk = 0.0030864 k( 103) = ( 0.1465517 0.3257782 0.6588459), wk = 0.0030864 k( 104) = ( 0.1379310 0.3371940 0.6446076), wk = 0.0030864 k( 105) = ( 0.1293103 0.3486098 0.6303692), wk = 0.0030864 k( 106) = ( 0.1206897 0.3600256 0.6161309), wk = 0.0030864 k( 107) = ( 0.1120690 0.3714414 0.6018926), wk = 0.0030864 k( 108) = ( 0.1034483 0.3828571 0.5876543), wk = 0.0030864 k( 109) = ( 0.0948276 0.3942729 0.5734159), wk = 0.0030864 k( 110) = ( 0.0862069 0.4056887 0.5591776), wk = 0.0030864 k( 111) = ( 0.0775862 0.4171045 0.5449393), wk = 0.0030864 k( 112) = ( 0.0689655 0.4285203 0.5307009), wk = 0.0030864 k( 113) = ( 0.0603448 0.4399361 0.5164626), wk = 0.0030864 k( 114) = ( 0.0517241 0.4513518 0.5022243), wk = 0.0030864 k( 115) = ( 0.0431035 0.4627676 0.4879859), wk = 0.0030864 k( 116) = ( 0.0344828 0.4741834 0.4737476), wk = 0.0030864 k( 117) = ( 0.0258621 0.4855992 0.4595093), wk = 0.0030864 k( 118) = ( 0.0172414 0.4970150 0.4452709), wk = 0.0030864 k( 119) = ( 0.0086207 0.5084308 0.4310326), wk = 0.0030864 k( 120) = ( 0.0000000 0.5198465 0.4167943), wk = 0.0030864 k( 121) = ( 0.0000000 0.5198465 0.4167943), wk = 0.0030864 k( 122) = ( 0.0178305 0.5251152 0.4102229), wk = 0.0030864 k( 123) = ( 0.0356610 0.5303839 0.4036516), wk = 0.0030864 k( 124) = ( 0.0534915 0.5356526 0.3970802), wk = 0.0030864 k( 125) = ( 0.0713220 0.5409212 0.3905089), wk = 0.0030864 k( 126) = ( 0.0891525 0.5461899 0.3839375), wk = 0.0030864 k( 127) = ( 0.1069830 0.5514586 0.3773662), wk = 0.0030864 k( 128) = ( 0.1248135 0.5567273 0.3707948), wk = 0.0030864 k( 129) = ( 0.1426439 0.5619959 0.3642235), wk = 0.0030864 k( 130) = ( 0.1604744 0.5672646 0.3576521), wk = 0.0030864 k( 131) = ( 0.1783049 0.5725333 0.3510807), wk = 0.0030864 k( 132) = ( 0.1961354 0.5778020 0.3445094), wk = 0.0030864 k( 133) = ( 0.2139659 0.5830706 0.3379380), wk = 0.0030864 k( 134) = ( 0.2317964 0.5883393 0.3313667), wk = 0.0030864 k( 135) = ( 0.2496269 0.5936080 0.3247953), wk = 0.0030864 k( 136) = ( 0.2674574 0.5988767 0.3182240), wk = 0.0030864 k( 137) = ( 0.2852879 0.6041453 0.3116526), wk = 0.0030864 k( 138) = ( 0.3031184 0.6094140 0.3050813), wk = 0.0030864 k( 139) = ( 0.3209489 0.6146827 0.2985099), wk = 0.0030864 k( 140) = ( 0.3209489 0.6146827 0.2985099), wk = 0.0030864 k( 141) = ( 0.3294751 0.6033920 0.2842952), wk = 0.0030864 k( 142) = ( 0.3380014 0.5921013 0.2700804), wk = 0.0030864 k( 143) = ( 0.3465276 0.5808105 0.2558656), wk = 0.0030864 k( 144) = ( 0.3550539 0.5695198 0.2416509), wk = 0.0030864 k( 145) = ( 0.3635801 0.5582291 0.2274361), wk = 0.0030864 k( 146) = ( 0.3721063 0.5469384 0.2132214), wk = 0.0030864 k( 147) = ( 0.3806326 0.5356477 0.1990066), wk = 0.0030864 k( 148) = ( 0.3891588 0.5243570 0.1847918), wk = 0.0030864 k( 149) = ( 0.3976851 0.5130663 0.1705771), wk = 0.0030864 k( 150) = ( 0.4062113 0.5017756 0.1563623), wk = 0.0030864 k( 151) = ( 0.4147376 0.4904848 0.1421476), wk = 0.0030864 k( 152) = ( 0.4232638 0.4791941 0.1279328), wk = 0.0030864 k( 153) = ( 0.4317900 0.4679034 0.1137181), wk = 0.0030864 k( 154) = ( 0.4403163 0.4566127 0.0995033), wk = 0.0030864 k( 155) = ( 0.4488425 0.4453220 0.0852885), wk = 0.0030864 k( 156) = ( 0.4573688 0.4340313 0.0710738), wk = 0.0030864 k( 157) = ( 0.4658950 0.4227406 0.0568590), wk = 0.0030864 k( 158) = ( 0.4744213 0.4114498 0.0426443), wk = 0.0030864 k( 159) = ( 0.4829475 0.4001591 0.0284295), wk = 0.0030864 k( 160) = ( 0.4914738 0.3888684 0.0142148), wk = 0.0030864 k( 161) = ( 0.5000000 0.3775777 0.0000000), wk = 0.0030864 k( 162) = ( 0.5000000 0.3775777 0.0000000), wk = 0.0030864 k( 163) = ( 0.4838710 0.3653978 0.0000000), wk = 0.0030864 k( 164) = ( 0.4677419 0.3532179 0.0000000), wk = 0.0030864 k( 165) = ( 0.4516129 0.3410379 0.0000000), wk = 0.0030864 k( 166) = ( 0.4354839 0.3288580 0.0000000), wk = 0.0030864 k( 167) = ( 0.4193548 0.3166781 0.0000000), wk = 0.0030864 k( 168) = ( 0.4032258 0.3044982 0.0000000), wk = 0.0030864 k( 169) = ( 0.3870968 0.2923182 0.0000000), wk = 0.0030864 k( 170) = ( 0.3709677 0.2801383 0.0000000), wk = 0.0030864 k( 171) = ( 0.3548387 0.2679584 0.0000000), wk = 0.0030864 k( 172) = ( 0.3387097 0.2557784 0.0000000), wk = 0.0030864 k( 173) = ( 0.3225807 0.2435985 0.0000000), wk = 0.0030864 k( 174) = ( 0.3064516 0.2314186 0.0000000), wk = 0.0030864 k( 175) = ( 0.2903226 0.2192387 0.0000000), wk = 0.0030864 k( 176) = ( 0.2741936 0.2070587 0.0000000), wk = 0.0030864 k( 177) = ( 0.2580645 0.1948788 0.0000000), wk = 0.0030864 k( 178) = ( 0.2419355 0.1826989 0.0000000), wk = 0.0030864 k( 179) = ( 0.2258064 0.1705190 0.0000000), wk = 0.0030864 k( 180) = ( 0.2096774 0.1583390 0.0000000), wk = 0.0030864 k( 181) = ( 0.1935484 0.1461591 0.0000000), wk = 0.0030864 k( 182) = ( 0.1774194 0.1339792 0.0000000), wk = 0.0030864 k( 183) = ( 0.1612903 0.1217993 0.0000000), wk = 0.0030864 k( 184) = ( 0.1451613 0.1096193 0.0000000), wk = 0.0030864 k( 185) = ( 0.1290323 0.0974394 0.0000000), wk = 0.0030864 k( 186) = ( 0.1129032 0.0852595 0.0000000), wk = 0.0030864 k( 187) = ( 0.0967742 0.0730796 0.0000000), wk = 0.0030864 k( 188) = ( 0.0806452 0.0608996 0.0000000), wk = 0.0030864 k( 189) = ( 0.0645161 0.0487197 0.0000000), wk = 0.0030864 k( 190) = ( 0.0483871 0.0365398 0.0000000), wk = 0.0030864 k( 191) = ( 0.0322581 0.0243598 0.0000000), wk = 0.0030864 k( 192) = ( 0.0161290 0.0121799 0.0000000), wk = 0.0030864 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 195) = ( 0.0086923 -0.0115107 0.0143567), wk = 0.0030864 k( 196) = ( 0.0173847 -0.0230213 0.0287133), wk = 0.0030864 k( 197) = ( 0.0260770 -0.0345319 0.0430699), wk = 0.0030864 k( 198) = ( 0.0347693 -0.0460426 0.0574266), wk = 0.0030864 k( 199) = ( 0.0434616 -0.0575532 0.0717832), wk = 0.0030864 k( 200) = ( 0.0521539 -0.0690639 0.0861399), wk = 0.0030864 k( 201) = ( 0.0608463 -0.0805745 0.1004965), wk = 0.0030864 k( 202) = ( 0.0695386 -0.0920852 0.1148532), wk = 0.0030864 k( 203) = ( 0.0782309 -0.1035958 0.1292098), wk = 0.0030864 k( 204) = ( 0.0869232 -0.1151064 0.1435665), wk = 0.0030864 k( 205) = ( 0.0956156 -0.1266171 0.1579231), wk = 0.0030864 k( 206) = ( 0.1043079 -0.1381277 0.1722798), wk = 0.0030864 k( 207) = ( 0.1130002 -0.1496384 0.1866364), wk = 0.0030864 k( 208) = ( 0.1216925 -0.1611490 0.2009931), wk = 0.0030864 k( 209) = ( 0.1303849 -0.1726597 0.2153497), wk = 0.0030864 k( 210) = ( 0.1390772 -0.1841703 0.2297064), wk = 0.0030864 k( 211) = ( 0.1477695 -0.1956810 0.2440630), wk = 0.0030864 k( 212) = ( 0.1564619 -0.2071916 0.2584197), wk = 0.0030864 k( 213) = ( 0.1651542 -0.2187022 0.2727763), wk = 0.0030864 k( 214) = ( 0.1738465 -0.2302129 0.2871330), wk = 0.0030864 k( 215) = ( 0.1825388 -0.2417235 0.3014896), wk = 0.0030864 k( 216) = ( 0.1912312 -0.2532342 0.3158462), wk = 0.0030864 k( 217) = ( 0.1999235 -0.2647448 0.3302029), wk = 0.0030864 k( 218) = ( 0.2086158 -0.2762555 0.3445595), wk = 0.0030864 k( 219) = ( 0.2173081 -0.2877661 0.3589162), wk = 0.0030864 k( 220) = ( 0.2260005 -0.2992768 0.3732728), wk = 0.0030864 k( 221) = ( 0.2346928 -0.3107874 0.3876295), wk = 0.0030864 k( 222) = ( 0.2433851 -0.3222980 0.4019861), wk = 0.0030864 k( 223) = ( 0.2520774 -0.3338087 0.4163428), wk = 0.0030864 k( 224) = ( 0.2607698 -0.3453193 0.4306994), wk = 0.0030864 k( 225) = ( 0.2694621 -0.3568300 0.4450561), wk = 0.0030864 k( 226) = ( 0.2781544 -0.3683406 0.4594127), wk = 0.0030864 k( 227) = ( 0.2868467 -0.3798513 0.4737694), wk = 0.0030864 k( 228) = ( 0.2955391 -0.3913619 0.4881260), wk = 0.0030864 k( 229) = ( 0.3042314 -0.4028725 0.5024827), wk = 0.0030864 k( 230) = ( 0.3129237 -0.4143832 0.5168393), wk = 0.0030864 k( 231) = ( 0.3216160 -0.4258938 0.5311960), wk = 0.0030864 k( 232) = ( 0.3216160 -0.4258938 0.5311960), wk = 0.0030864 k( 233) = ( 0.3315263 -0.4101369 0.5246246), wk = 0.0030864 k( 234) = ( 0.3414365 -0.3943799 0.5180532), wk = 0.0030864 k( 235) = ( 0.3513467 -0.3786230 0.5114819), wk = 0.0030864 k( 236) = ( 0.3612569 -0.3628661 0.5049105), wk = 0.0030864 k( 237) = ( 0.3711671 -0.3471091 0.4983392), wk = 0.0030864 k( 238) = ( 0.3810774 -0.3313522 0.4917678), wk = 0.0030864 k( 239) = ( 0.3909876 -0.3155952 0.4851965), wk = 0.0030864 k( 240) = ( 0.4008978 -0.2998383 0.4786251), wk = 0.0030864 k( 241) = ( 0.4108080 -0.2840813 0.4720538), wk = 0.0030864 k( 242) = ( 0.4207182 -0.2683244 0.4654824), wk = 0.0030864 k( 243) = ( 0.4306285 -0.2525674 0.4589111), wk = 0.0030864 k( 244) = ( 0.4405387 -0.2368105 0.4523397), wk = 0.0030864 k( 245) = ( 0.4504489 -0.2210536 0.4457684), wk = 0.0030864 k( 246) = ( 0.4603591 -0.2052966 0.4391970), wk = 0.0030864 k( 247) = ( 0.4702693 -0.1895397 0.4326256), wk = 0.0030864 k( 248) = ( 0.4801796 -0.1737827 0.4260543), wk = 0.0030864 k( 249) = ( 0.4900898 -0.1580258 0.4194829), wk = 0.0030864 k( 250) = ( 0.5000000 -0.1422688 0.4129116), wk = 0.0030864 k( 251) = ( 0.5000000 -0.1422688 0.4129116), wk = 0.0030864 k( 252) = ( 0.4913793 -0.1308530 0.4272838), wk = 0.0030864 k( 253) = ( 0.4827586 -0.1194373 0.4416560), wk = 0.0030864 k( 254) = ( 0.4741379 -0.1080215 0.4560282), wk = 0.0030864 k( 255) = ( 0.4655172 -0.0966057 0.4704005), wk = 0.0030864 k( 256) = ( 0.4568966 -0.0851899 0.4847727), wk = 0.0030864 k( 257) = ( 0.4482759 -0.0737741 0.4991449), wk = 0.0030864 k( 258) = ( 0.4396552 -0.0623584 0.5135171), wk = 0.0030864 k( 259) = ( 0.4310345 -0.0509426 0.5278893), wk = 0.0030864 k( 260) = ( 0.4224138 -0.0395268 0.5422615), wk = 0.0030864 k( 261) = ( 0.4137931 -0.0281110 0.5566338), wk = 0.0030864 k( 262) = ( 0.4051724 -0.0166952 0.5710060), wk = 0.0030864 k( 263) = ( 0.3965517 -0.0052794 0.5853782), wk = 0.0030864 k( 264) = ( 0.3879310 0.0061363 0.5997504), wk = 0.0030864 k( 265) = ( 0.3793103 0.0175521 0.6141226), wk = 0.0030864 k( 266) = ( 0.3706897 0.0289679 0.6284948), wk = 0.0030864 k( 267) = ( 0.3620690 0.0403837 0.6428670), wk = 0.0030864 k( 268) = ( 0.3534483 0.0517995 0.6572393), wk = 0.0030864 k( 269) = ( 0.3448276 0.0632152 0.6716115), wk = 0.0030864 k( 270) = ( 0.3362069 0.0746310 0.6859837), wk = 0.0030864 k( 271) = ( 0.3275862 0.0860468 0.7003559), wk = 0.0030864 k( 272) = ( 0.3189655 0.0974626 0.7147281), wk = 0.0030864 k( 273) = ( 0.3103448 0.1088784 0.7291003), wk = 0.0030864 k( 274) = ( 0.3017241 0.1202942 0.7434726), wk = 0.0030864 k( 275) = ( 0.2931034 0.1317099 0.7578448), wk = 0.0030864 k( 276) = ( 0.2844828 0.1431257 0.7722170), wk = 0.0030864 k( 277) = ( 0.2758621 0.1545415 0.7865892), wk = 0.0030864 k( 278) = ( 0.2672414 0.1659573 0.8009614), wk = 0.0030864 k( 279) = ( 0.2586207 0.1773731 0.8153337), wk = 0.0030864 k( 280) = ( 0.2500000 0.1887889 0.8297059), wk = 0.0030864 k( 281) = ( 0.1425649 -0.1887888 0.8297059), wk = 0.0030864 k( 282) = ( 0.1510912 -0.2000796 0.8154911), wk = 0.0030864 k( 283) = ( 0.1596174 -0.2113703 0.8012764), wk = 0.0030864 k( 284) = ( 0.1681437 -0.2226610 0.7870616), wk = 0.0030864 k( 285) = ( 0.1766699 -0.2339517 0.7728468), wk = 0.0030864 k( 286) = ( 0.1851961 -0.2452424 0.7586321), wk = 0.0030864 k( 287) = ( 0.1937224 -0.2565331 0.7444173), wk = 0.0030864 k( 288) = ( 0.2022486 -0.2678239 0.7302026), wk = 0.0030864 k( 289) = ( 0.2107749 -0.2791146 0.7159878), wk = 0.0030864 k( 290) = ( 0.2193011 -0.2904053 0.7017731), wk = 0.0030864 k( 291) = ( 0.2278274 -0.3016960 0.6875583), wk = 0.0030864 k( 292) = ( 0.2363536 -0.3129867 0.6733435), wk = 0.0030864 k( 293) = ( 0.2448798 -0.3242774 0.6591288), wk = 0.0030864 k( 294) = ( 0.2534061 -0.3355681 0.6449140), wk = 0.0030864 k( 295) = ( 0.2619323 -0.3468588 0.6306993), wk = 0.0030864 k( 296) = ( 0.2704586 -0.3581496 0.6164845), wk = 0.0030864 k( 297) = ( 0.2789848 -0.3694403 0.6022697), wk = 0.0030864 k( 298) = ( 0.2875111 -0.3807310 0.5880550), wk = 0.0030864 k( 299) = ( 0.2960373 -0.3920217 0.5738402), wk = 0.0030864 k( 300) = ( 0.3045636 -0.4033124 0.5596255), wk = 0.0030864 k( 301) = ( 0.3130898 -0.4146031 0.5454107), wk = 0.0030864 k( 302) = ( 0.3216160 -0.4258938 0.5311960), wk = 0.0030864 k( 303) = ( 0.6783840 0.1413562 0.2946272), wk = 0.0030864 k( 304) = ( 0.6698895 0.1526048 0.2805974), wk = 0.0030864 k( 305) = ( 0.6613950 0.1638535 0.2665675), wk = 0.0030864 k( 306) = ( 0.6529005 0.1751021 0.2525376), wk = 0.0030864 k( 307) = ( 0.6444061 0.1863508 0.2385078), wk = 0.0030864 k( 308) = ( 0.6359116 0.1975994 0.2244779), wk = 0.0030864 k( 309) = ( 0.6274171 0.2088480 0.2104480), wk = 0.0030864 k( 310) = ( 0.6189226 0.2200967 0.1964181), wk = 0.0030864 k( 311) = ( 0.6104282 0.2313453 0.1823883), wk = 0.0030864 k( 312) = ( 0.6019337 0.2425940 0.1683584), wk = 0.0030864 k( 313) = ( 0.5934392 0.2538426 0.1543285), wk = 0.0030864 k( 314) = ( 0.5849448 0.2650913 0.1402987), wk = 0.0030864 k( 315) = ( 0.5764503 0.2763399 0.1262688), wk = 0.0030864 k( 316) = ( 0.5679558 0.2875885 0.1122389), wk = 0.0030864 k( 317) = ( 0.5594613 0.2988372 0.0982091), wk = 0.0030864 k( 318) = ( 0.5509669 0.3100858 0.0841792), wk = 0.0030864 k( 319) = ( 0.5424724 0.3213345 0.0701493), wk = 0.0030864 k( 320) = ( 0.5339779 0.3325831 0.0561195), wk = 0.0030864 k( 321) = ( 0.5254834 0.3438318 0.0420896), wk = 0.0030864 k( 322) = ( 0.5169890 0.3550804 0.0280597), wk = 0.0030864 k( 323) = ( 0.5084945 0.3663291 0.0140299), wk = 0.0030864 k( 324) = ( 0.5000000 0.3775777 0.0000000), wk = 0.0030864 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 2) = ( -0.0086743 0.0086743 0.0086743), wk = 0.0030864 k( 3) = ( -0.0173486 0.0173486 0.0173486), wk = 0.0030864 k( 4) = ( -0.0260229 0.0260229 0.0260229), wk = 0.0030864 k( 5) = ( -0.0346972 0.0346972 0.0346972), wk = 0.0030864 k( 6) = ( -0.0433715 0.0433715 0.0433715), wk = 0.0030864 k( 7) = ( -0.0520458 0.0520458 0.0520458), wk = 0.0030864 k( 8) = ( -0.0607201 0.0607201 0.0607201), wk = 0.0030864 k( 9) = ( -0.0693943 0.0693943 0.0693943), wk = 0.0030864 k( 10) = ( -0.0780687 0.0780686 0.0780687), wk = 0.0030864 k( 11) = ( -0.0867429 0.0867429 0.0867429), wk = 0.0030864 k( 12) = ( -0.0954172 0.0954172 0.0954172), wk = 0.0030864 k( 13) = ( -0.1040915 0.1040915 0.1040915), wk = 0.0030864 k( 14) = ( -0.1127658 0.1127658 0.1127658), wk = 0.0030864 k( 15) = ( -0.1214401 0.1214401 0.1214401), wk = 0.0030864 k( 16) = ( -0.1301144 0.1301144 0.1301144), wk = 0.0030864 k( 17) = ( -0.1387887 0.1387887 0.1387887), wk = 0.0030864 k( 18) = ( -0.1474630 0.1474630 0.1474630), wk = 0.0030864 k( 19) = ( -0.1561373 0.1561373 0.1561373), wk = 0.0030864 k( 20) = ( -0.1648116 0.1648116 0.1648116), wk = 0.0030864 k( 21) = ( -0.1734859 0.1734859 0.1734859), wk = 0.0030864 k( 22) = ( -0.1821602 0.1821602 0.1821602), wk = 0.0030864 k( 23) = ( -0.1908345 0.1908345 0.1908345), wk = 0.0030864 k( 24) = ( -0.1995088 0.1995088 0.1995088), wk = 0.0030864 k( 25) = ( -0.2081831 0.2081831 0.2081831), wk = 0.0030864 k( 26) = ( -0.2168574 0.2168574 0.2168574), wk = 0.0030864 k( 27) = ( -0.2255317 0.2255316 0.2255316), wk = 0.0030864 k( 28) = ( -0.2342059 0.2342059 0.2342059), wk = 0.0030864 k( 29) = ( -0.2428802 0.2428802 0.2428802), wk = 0.0030864 k( 30) = ( -0.2515545 0.2515545 0.2515545), wk = 0.0030864 k( 31) = ( -0.2602288 0.2602288 0.2602288), wk = 0.0030864 k( 32) = ( -0.2689031 0.2689031 0.2689031), wk = 0.0030864 k( 33) = ( -0.2775774 0.2775774 0.2775774), wk = 0.0030864 k( 34) = ( -0.2862517 0.2862517 0.2862517), wk = 0.0030864 k( 35) = ( -0.2949260 0.2949260 0.2949260), wk = 0.0030864 k( 36) = ( -0.3036003 0.3036003 0.3036003), wk = 0.0030864 k( 37) = ( -0.3122746 0.3122746 0.3122746), wk = 0.0030864 k( 38) = ( -0.3209489 0.3209489 0.3209489), wk = 0.0030864 k( 39) = ( -0.3209489 0.3209489 0.3209489), wk = 0.0030864 k( 40) = ( -0.3124544 0.3124544 0.3294434), wk = 0.0030864 k( 41) = ( -0.3039599 0.3039599 0.3379378), wk = 0.0030864 k( 42) = ( -0.2954655 0.2954655 0.3464323), wk = 0.0030864 k( 43) = ( -0.2869710 0.2869710 0.3549268), wk = 0.0030864 k( 44) = ( -0.2784765 0.2784765 0.3634213), wk = 0.0030864 k( 45) = ( -0.2699820 0.2699820 0.3719157), wk = 0.0030864 k( 46) = ( -0.2614876 0.2614876 0.3804102), wk = 0.0030864 k( 47) = ( -0.2529931 0.2529931 0.3889047), wk = 0.0030864 k( 48) = ( -0.2444986 0.2444986 0.3973992), wk = 0.0030864 k( 49) = ( -0.2360041 0.2360041 0.4058936), wk = 0.0030864 k( 50) = ( -0.2275097 0.2275097 0.4143881), wk = 0.0030864 k( 51) = ( -0.2190152 0.2190152 0.4228826), wk = 0.0030864 k( 52) = ( -0.2105207 0.2105207 0.4313771), wk = 0.0030864 k( 53) = ( -0.2020262 0.2020262 0.4398715), wk = 0.0030864 k( 54) = ( -0.1935318 0.1935318 0.4483660), wk = 0.0030864 k( 55) = ( -0.1850373 0.1850373 0.4568605), wk = 0.0030864 k( 56) = ( -0.1765428 0.1765428 0.4653550), wk = 0.0030864 k( 57) = ( -0.1680484 0.1680484 0.4738494), wk = 0.0030864 k( 58) = ( -0.1595539 0.1595539 0.4823439), wk = 0.0030864 k( 59) = ( -0.1510594 0.1510594 0.4908384), wk = 0.0030864 k( 60) = ( -0.1425649 0.1425649 0.4993328), wk = 0.0030864 k( 61) = ( -0.1425649 0.1425649 0.4993328), wk = 0.0030864 k( 62) = ( -0.1306845 0.1306845 0.4993884), wk = 0.0030864 k( 63) = ( -0.1188041 0.1188041 0.4994440), wk = 0.0030864 k( 64) = ( -0.1069237 0.1069237 0.4994996), wk = 0.0030864 k( 65) = ( -0.0950433 0.0950433 0.4995552), wk = 0.0030864 k( 66) = ( -0.0831629 0.0831629 0.4996108), wk = 0.0030864 k( 67) = ( -0.0712825 0.0712825 0.4996664), wk = 0.0030864 k( 68) = ( -0.0594020 0.0594020 0.4997220), wk = 0.0030864 k( 69) = ( -0.0475216 0.0475216 0.4997776), wk = 0.0030864 k( 70) = ( -0.0356412 0.0356412 0.4998332), wk = 0.0030864 k( 71) = ( -0.0237608 0.0237608 0.4998888), wk = 0.0030864 k( 72) = ( -0.0118804 0.0118804 0.4999444), wk = 0.0030864 k( 73) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 74) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030864 k( 75) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0030864 k( 76) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0030864 k( 77) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0030864 k( 78) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0030864 k( 79) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0030864 k( 80) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0030864 k( 81) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0030864 k( 82) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0030864 k( 83) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0030864 k( 84) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0030864 k( 85) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0030864 k( 86) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0030864 k( 87) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0030864 k( 88) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0030864 k( 89) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0030864 k( 90) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030864 k( 91) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030864 k( 92) = ( 0.2413793 0.2586207 0.2413793), wk = 0.0030864 k( 93) = ( 0.2327586 0.2672414 0.2327586), wk = 0.0030864 k( 94) = ( 0.2241379 0.2758621 0.2241379), wk = 0.0030864 k( 95) = ( 0.2155172 0.2844828 0.2155172), wk = 0.0030864 k( 96) = ( 0.2068966 0.2931034 0.2068965), wk = 0.0030864 k( 97) = ( 0.1982759 0.3017241 0.1982759), wk = 0.0030864 k( 98) = ( 0.1896552 0.3103448 0.1896552), wk = 0.0030864 k( 99) = ( 0.1810345 0.3189655 0.1810345), wk = 0.0030864 k( 100) = ( 0.1724138 0.3275862 0.1724138), wk = 0.0030864 k( 101) = ( 0.1637931 0.3362069 0.1637931), wk = 0.0030864 k( 102) = ( 0.1551724 0.3448276 0.1551724), wk = 0.0030864 k( 103) = ( 0.1465517 0.3534483 0.1465517), wk = 0.0030864 k( 104) = ( 0.1379310 0.3620690 0.1379310), wk = 0.0030864 k( 105) = ( 0.1293103 0.3706897 0.1293103), wk = 0.0030864 k( 106) = ( 0.1206897 0.3793103 0.1206897), wk = 0.0030864 k( 107) = ( 0.1120690 0.3879310 0.1120690), wk = 0.0030864 k( 108) = ( 0.1034483 0.3965517 0.1034483), wk = 0.0030864 k( 109) = ( 0.0948276 0.4051724 0.0948276), wk = 0.0030864 k( 110) = ( 0.0862069 0.4137931 0.0862069), wk = 0.0030864 k( 111) = ( 0.0775862 0.4224138 0.0775862), wk = 0.0030864 k( 112) = ( 0.0689655 0.4310345 0.0689655), wk = 0.0030864 k( 113) = ( 0.0603448 0.4396552 0.0603448), wk = 0.0030864 k( 114) = ( 0.0517241 0.4482759 0.0517241), wk = 0.0030864 k( 115) = ( 0.0431035 0.4568966 0.0431034), wk = 0.0030864 k( 116) = ( 0.0344828 0.4655172 0.0344828), wk = 0.0030864 k( 117) = ( 0.0258621 0.4741379 0.0258621), wk = 0.0030864 k( 118) = ( 0.0172414 0.4827586 0.0172414), wk = 0.0030864 k( 119) = ( 0.0086207 0.4913793 0.0086207), wk = 0.0030864 k( 120) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 121) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030864 k( 122) = ( 0.0178305 0.5099473 -0.0178305), wk = 0.0030864 k( 123) = ( 0.0356610 0.5198946 -0.0356610), wk = 0.0030864 k( 124) = ( 0.0534915 0.5298418 -0.0534915), wk = 0.0030864 k( 125) = ( 0.0713220 0.5397891 -0.0713220), wk = 0.0030864 k( 126) = ( 0.0891525 0.5497364 -0.0891525), wk = 0.0030864 k( 127) = ( 0.1069830 0.5596837 -0.1069830), wk = 0.0030864 k( 128) = ( 0.1248135 0.5696310 -0.1248135), wk = 0.0030864 k( 129) = ( 0.1426439 0.5795783 -0.1426439), wk = 0.0030864 k( 130) = ( 0.1604744 0.5895256 -0.1604744), wk = 0.0030864 k( 131) = ( 0.1783049 0.5994728 -0.1783049), wk = 0.0030864 k( 132) = ( 0.1961354 0.6094201 -0.1961354), wk = 0.0030864 k( 133) = ( 0.2139659 0.6193674 -0.2139659), wk = 0.0030864 k( 134) = ( 0.2317964 0.6293147 -0.2317964), wk = 0.0030864 k( 135) = ( 0.2496269 0.6392620 -0.2496269), wk = 0.0030864 k( 136) = ( 0.2674574 0.6492093 -0.2674574), wk = 0.0030864 k( 137) = ( 0.2852879 0.6591565 -0.2852879), wk = 0.0030864 k( 138) = ( 0.3031184 0.6691038 -0.3031184), wk = 0.0030864 k( 139) = ( 0.3209489 0.6790511 -0.3209489), wk = 0.0030864 k( 140) = ( 0.3209489 0.6790511 -0.3209489), wk = 0.0030864 k( 141) = ( 0.3294751 0.6705249 -0.3294751), wk = 0.0030864 k( 142) = ( 0.3380014 0.6619986 -0.3380014), wk = 0.0030864 k( 143) = ( 0.3465276 0.6534724 -0.3465276), wk = 0.0030864 k( 144) = ( 0.3550539 0.6449461 -0.3550539), wk = 0.0030864 k( 145) = ( 0.3635801 0.6364199 -0.3635801), wk = 0.0030864 k( 146) = ( 0.3721063 0.6278936 -0.3721063), wk = 0.0030864 k( 147) = ( 0.3806326 0.6193674 -0.3806326), wk = 0.0030864 k( 148) = ( 0.3891588 0.6108412 -0.3891588), wk = 0.0030864 k( 149) = ( 0.3976851 0.6023149 -0.3976851), wk = 0.0030864 k( 150) = ( 0.4062113 0.5937887 -0.4062113), wk = 0.0030864 k( 151) = ( 0.4147376 0.5852624 -0.4147376), wk = 0.0030864 k( 152) = ( 0.4232638 0.5767362 -0.4232638), wk = 0.0030864 k( 153) = ( 0.4317900 0.5682099 -0.4317900), wk = 0.0030864 k( 154) = ( 0.4403163 0.5596837 -0.4403163), wk = 0.0030864 k( 155) = ( 0.4488425 0.5511575 -0.4488425), wk = 0.0030864 k( 156) = ( 0.4573688 0.5426312 -0.4573688), wk = 0.0030864 k( 157) = ( 0.4658950 0.5341050 -0.4658950), wk = 0.0030864 k( 158) = ( 0.4744213 0.5255787 -0.4744213), wk = 0.0030864 k( 159) = ( 0.4829475 0.5170525 -0.4829475), wk = 0.0030864 k( 160) = ( 0.4914738 0.5085262 -0.4914738), wk = 0.0030864 k( 161) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030864 k( 162) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030864 k( 163) = ( 0.4838710 0.4838710 -0.4838710), wk = 0.0030864 k( 164) = ( 0.4677419 0.4677419 -0.4677419), wk = 0.0030864 k( 165) = ( 0.4516129 0.4516129 -0.4516129), wk = 0.0030864 k( 166) = ( 0.4354839 0.4354839 -0.4354839), wk = 0.0030864 k( 167) = ( 0.4193548 0.4193548 -0.4193548), wk = 0.0030864 k( 168) = ( 0.4032258 0.4032258 -0.4032258), wk = 0.0030864 k( 169) = ( 0.3870968 0.3870968 -0.3870968), wk = 0.0030864 k( 170) = ( 0.3709677 0.3709677 -0.3709677), wk = 0.0030864 k( 171) = ( 0.3548387 0.3548387 -0.3548387), wk = 0.0030864 k( 172) = ( 0.3387097 0.3387097 -0.3387097), wk = 0.0030864 k( 173) = ( 0.3225807 0.3225806 -0.3225807), wk = 0.0030864 k( 174) = ( 0.3064516 0.3064516 -0.3064516), wk = 0.0030864 k( 175) = ( 0.2903226 0.2903226 -0.2903226), wk = 0.0030864 k( 176) = ( 0.2741936 0.2741935 -0.2741935), wk = 0.0030864 k( 177) = ( 0.2580645 0.2580645 -0.2580645), wk = 0.0030864 k( 178) = ( 0.2419355 0.2419355 -0.2419355), wk = 0.0030864 k( 179) = ( 0.2258064 0.2258064 -0.2258064), wk = 0.0030864 k( 180) = ( 0.2096774 0.2096774 -0.2096774), wk = 0.0030864 k( 181) = ( 0.1935484 0.1935484 -0.1935484), wk = 0.0030864 k( 182) = ( 0.1774194 0.1774193 -0.1774193), wk = 0.0030864 k( 183) = ( 0.1612903 0.1612903 -0.1612903), wk = 0.0030864 k( 184) = ( 0.1451613 0.1451613 -0.1451613), wk = 0.0030864 k( 185) = ( 0.1290323 0.1290323 -0.1290323), wk = 0.0030864 k( 186) = ( 0.1129032 0.1129032 -0.1129032), wk = 0.0030864 k( 187) = ( 0.0967742 0.0967742 -0.0967742), wk = 0.0030864 k( 188) = ( 0.0806452 0.0806452 -0.0806452), wk = 0.0030864 k( 189) = ( 0.0645161 0.0645161 -0.0645161), wk = 0.0030864 k( 190) = ( 0.0483871 0.0483871 -0.0483871), wk = 0.0030864 k( 191) = ( 0.0322581 0.0322581 -0.0322581), wk = 0.0030864 k( 192) = ( 0.0161290 0.0161290 -0.0161290), wk = 0.0030864 k( 193) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030864 k( 195) = ( 0.0086923 -0.0086923 0.0086923), wk = 0.0030864 k( 196) = ( 0.0173847 -0.0173847 0.0173847), wk = 0.0030864 k( 197) = ( 0.0260770 -0.0260770 0.0260770), wk = 0.0030864 k( 198) = ( 0.0347693 -0.0347693 0.0347693), wk = 0.0030864 k( 199) = ( 0.0434616 -0.0434616 0.0434616), wk = 0.0030864 k( 200) = ( 0.0521539 -0.0521539 0.0521539), wk = 0.0030864 k( 201) = ( 0.0608463 -0.0608463 0.0608463), wk = 0.0030864 k( 202) = ( 0.0695386 -0.0695386 0.0695386), wk = 0.0030864 k( 203) = ( 0.0782309 -0.0782309 0.0782309), wk = 0.0030864 k( 204) = ( 0.0869232 -0.0869232 0.0869232), wk = 0.0030864 k( 205) = ( 0.0956156 -0.0956156 0.0956156), wk = 0.0030864 k( 206) = ( 0.1043079 -0.1043079 0.1043079), wk = 0.0030864 k( 207) = ( 0.1130002 -0.1130002 0.1130002), wk = 0.0030864 k( 208) = ( 0.1216925 -0.1216925 0.1216925), wk = 0.0030864 k( 209) = ( 0.1303849 -0.1303849 0.1303849), wk = 0.0030864 k( 210) = ( 0.1390772 -0.1390772 0.1390772), wk = 0.0030864 k( 211) = ( 0.1477695 -0.1477695 0.1477695), wk = 0.0030864 k( 212) = ( 0.1564619 -0.1564619 0.1564619), wk = 0.0030864 k( 213) = ( 0.1651542 -0.1651542 0.1651542), wk = 0.0030864 k( 214) = ( 0.1738465 -0.1738465 0.1738465), wk = 0.0030864 k( 215) = ( 0.1825388 -0.1825388 0.1825388), wk = 0.0030864 k( 216) = ( 0.1912312 -0.1912312 0.1912312), wk = 0.0030864 k( 217) = ( 0.1999235 -0.1999235 0.1999235), wk = 0.0030864 k( 218) = ( 0.2086158 -0.2086158 0.2086158), wk = 0.0030864 k( 219) = ( 0.2173081 -0.2173081 0.2173081), wk = 0.0030864 k( 220) = ( 0.2260005 -0.2260005 0.2260005), wk = 0.0030864 k( 221) = ( 0.2346928 -0.2346928 0.2346928), wk = 0.0030864 k( 222) = ( 0.2433851 -0.2433851 0.2433851), wk = 0.0030864 k( 223) = ( 0.2520774 -0.2520774 0.2520774), wk = 0.0030864 k( 224) = ( 0.2607698 -0.2607698 0.2607698), wk = 0.0030864 k( 225) = ( 0.2694621 -0.2694621 0.2694621), wk = 0.0030864 k( 226) = ( 0.2781544 -0.2781544 0.2781544), wk = 0.0030864 k( 227) = ( 0.2868467 -0.2868467 0.2868467), wk = 0.0030864 k( 228) = ( 0.2955391 -0.2955391 0.2955391), wk = 0.0030864 k( 229) = ( 0.3042314 -0.3042314 0.3042314), wk = 0.0030864 k( 230) = ( 0.3129237 -0.3129237 0.3129237), wk = 0.0030864 k( 231) = ( 0.3216160 -0.3216160 0.3216160), wk = 0.0030864 k( 232) = ( 0.3216160 -0.3216160 0.3216160), wk = 0.0030864 k( 233) = ( 0.3315263 -0.3037485 0.3037485), wk = 0.0030864 k( 234) = ( 0.3414365 -0.2858809 0.2858809), wk = 0.0030864 k( 235) = ( 0.3513467 -0.2680134 0.2680134), wk = 0.0030864 k( 236) = ( 0.3612569 -0.2501458 0.2501458), wk = 0.0030864 k( 237) = ( 0.3711671 -0.2322782 0.2322782), wk = 0.0030864 k( 238) = ( 0.3810774 -0.2144107 0.2144107), wk = 0.0030864 k( 239) = ( 0.3909876 -0.1965431 0.1965431), wk = 0.0030864 k( 240) = ( 0.4008978 -0.1786756 0.1786756), wk = 0.0030864 k( 241) = ( 0.4108080 -0.1608080 0.1608080), wk = 0.0030864 k( 242) = ( 0.4207182 -0.1429405 0.1429405), wk = 0.0030864 k( 243) = ( 0.4306285 -0.1250729 0.1250729), wk = 0.0030864 k( 244) = ( 0.4405387 -0.1072054 0.1072054), wk = 0.0030864 k( 245) = ( 0.4504489 -0.0893378 0.0893378), wk = 0.0030864 k( 246) = ( 0.4603591 -0.0714702 0.0714702), wk = 0.0030864 k( 247) = ( 0.4702693 -0.0536027 0.0536027), wk = 0.0030864 k( 248) = ( 0.4801796 -0.0357351 0.0357351), wk = 0.0030864 k( 249) = ( 0.4900898 -0.0178676 0.0178676), wk = 0.0030864 k( 250) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 251) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0030864 k( 252) = ( 0.4913793 0.0086207 0.0086207), wk = 0.0030864 k( 253) = ( 0.4827586 0.0172414 0.0172414), wk = 0.0030864 k( 254) = ( 0.4741379 0.0258621 0.0258621), wk = 0.0030864 k( 255) = ( 0.4655172 0.0344828 0.0344828), wk = 0.0030864 k( 256) = ( 0.4568966 0.0431034 0.0431035), wk = 0.0030864 k( 257) = ( 0.4482759 0.0517241 0.0517241), wk = 0.0030864 k( 258) = ( 0.4396552 0.0603448 0.0603448), wk = 0.0030864 k( 259) = ( 0.4310345 0.0689655 0.0689655), wk = 0.0030864 k( 260) = ( 0.4224138 0.0775862 0.0775862), wk = 0.0030864 k( 261) = ( 0.4137931 0.0862069 0.0862069), wk = 0.0030864 k( 262) = ( 0.4051724 0.0948276 0.0948276), wk = 0.0030864 k( 263) = ( 0.3965517 0.1034483 0.1034483), wk = 0.0030864 k( 264) = ( 0.3879310 0.1120690 0.1120690), wk = 0.0030864 k( 265) = ( 0.3793103 0.1206897 0.1206897), wk = 0.0030864 k( 266) = ( 0.3706897 0.1293103 0.1293103), wk = 0.0030864 k( 267) = ( 0.3620690 0.1379310 0.1379310), wk = 0.0030864 k( 268) = ( 0.3534483 0.1465517 0.1465517), wk = 0.0030864 k( 269) = ( 0.3448276 0.1551724 0.1551724), wk = 0.0030864 k( 270) = ( 0.3362069 0.1637931 0.1637931), wk = 0.0030864 k( 271) = ( 0.3275862 0.1724138 0.1724138), wk = 0.0030864 k( 272) = ( 0.3189655 0.1810345 0.1810345), wk = 0.0030864 k( 273) = ( 0.3103448 0.1896552 0.1896552), wk = 0.0030864 k( 274) = ( 0.3017241 0.1982759 0.1982759), wk = 0.0030864 k( 275) = ( 0.2931034 0.2068965 0.2068966), wk = 0.0030864 k( 276) = ( 0.2844828 0.2155172 0.2155172), wk = 0.0030864 k( 277) = ( 0.2758621 0.2241379 0.2241379), wk = 0.0030864 k( 278) = ( 0.2672414 0.2327586 0.2327586), wk = 0.0030864 k( 279) = ( 0.2586207 0.2413793 0.2413793), wk = 0.0030864 k( 280) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030864 k( 281) = ( 0.1425649 -0.1425649 0.5006671), wk = 0.0030864 k( 282) = ( 0.1510912 -0.1510912 0.4921409), wk = 0.0030864 k( 283) = ( 0.1596174 -0.1596174 0.4836147), wk = 0.0030864 k( 284) = ( 0.1681437 -0.1681437 0.4750884), wk = 0.0030864 k( 285) = ( 0.1766699 -0.1766699 0.4665622), wk = 0.0030864 k( 286) = ( 0.1851961 -0.1851961 0.4580359), wk = 0.0030864 k( 287) = ( 0.1937224 -0.1937224 0.4495097), wk = 0.0030864 k( 288) = ( 0.2022486 -0.2022486 0.4409834), wk = 0.0030864 k( 289) = ( 0.2107749 -0.2107749 0.4324572), wk = 0.0030864 k( 290) = ( 0.2193011 -0.2193011 0.4239310), wk = 0.0030864 k( 291) = ( 0.2278274 -0.2278274 0.4154047), wk = 0.0030864 k( 292) = ( 0.2363536 -0.2363536 0.4068785), wk = 0.0030864 k( 293) = ( 0.2448798 -0.2448798 0.3983522), wk = 0.0030864 k( 294) = ( 0.2534061 -0.2534061 0.3898260), wk = 0.0030864 k( 295) = ( 0.2619323 -0.2619323 0.3812997), wk = 0.0030864 k( 296) = ( 0.2704586 -0.2704586 0.3727735), wk = 0.0030864 k( 297) = ( 0.2789848 -0.2789848 0.3642473), wk = 0.0030864 k( 298) = ( 0.2875111 -0.2875111 0.3557210), wk = 0.0030864 k( 299) = ( 0.2960373 -0.2960373 0.3471948), wk = 0.0030864 k( 300) = ( 0.3045636 -0.3045636 0.3386685), wk = 0.0030864 k( 301) = ( 0.3130898 -0.3130898 0.3301423), wk = 0.0030864 k( 302) = ( 0.3216160 -0.3216160 0.3216160), wk = 0.0030864 k( 303) = ( 0.6783840 0.3216160 -0.3216160), wk = 0.0030864 k( 304) = ( 0.6698895 0.3301105 -0.3301105), wk = 0.0030864 k( 305) = ( 0.6613950 0.3386050 -0.3386050), wk = 0.0030864 k( 306) = ( 0.6529005 0.3470995 -0.3470995), wk = 0.0030864 k( 307) = ( 0.6444061 0.3555939 -0.3555939), wk = 0.0030864 k( 308) = ( 0.6359116 0.3640884 -0.3640884), wk = 0.0030864 k( 309) = ( 0.6274171 0.3725829 -0.3725829), wk = 0.0030864 k( 310) = ( 0.6189226 0.3810774 -0.3810774), wk = 0.0030864 k( 311) = ( 0.6104282 0.3895718 -0.3895718), wk = 0.0030864 k( 312) = ( 0.6019337 0.3980663 -0.3980663), wk = 0.0030864 k( 313) = ( 0.5934392 0.4065608 -0.4065608), wk = 0.0030864 k( 314) = ( 0.5849448 0.4150552 -0.4150552), wk = 0.0030864 k( 315) = ( 0.5764503 0.4235497 -0.4235497), wk = 0.0030864 k( 316) = ( 0.5679558 0.4320442 -0.4320442), wk = 0.0030864 k( 317) = ( 0.5594613 0.4405387 -0.4405387), wk = 0.0030864 k( 318) = ( 0.5509669 0.4490331 -0.4490331), wk = 0.0030864 k( 319) = ( 0.5424724 0.4575276 -0.4575276), wk = 0.0030864 k( 320) = ( 0.5339779 0.4660221 -0.4660221), wk = 0.0030864 k( 321) = ( 0.5254834 0.4745166 -0.4745166), wk = 0.0030864 k( 322) = ( 0.5169890 0.4830110 -0.4830110), wk = 0.0030864 k( 323) = ( 0.5084945 0.4915055 -0.4915055), wk = 0.0030864 k( 324) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030864 Dense grid: 470369 G-vectors FFT dimensions: ( 120, 120, 120) Smooth grid: 106685 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.52 Mb ( 768, 44) NL pseudopotentials 0.49 Mb ( 384, 84) Each V/rho on FFT grid 0.88 Mb ( 57600) Each G-vector array 0.10 Mb ( 13067) G-vector shells 0.09 Mb ( 11910) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.06 Mb ( 768, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.11 Mb ( 84, 2, 44) The potential is recalculated from file : ./BeBr2.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 2.5 secs Computing kpt #: 2 total cpu time spent up to now is 3.2 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.8 secs Computing kpt #: 5 total cpu time spent up to now is 5.5 secs Computing kpt #: 6 total cpu time spent up to now is 6.3 secs Computing kpt #: 7 total cpu time spent up to now is 7.1 secs Computing kpt #: 8 total cpu time spent up to now is 7.9 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.5 secs Computing kpt #: 11 total cpu time spent up to now is 10.3 secs Computing kpt #: 12 total cpu time spent up to now is 11.1 secs Computing kpt #: 13 total cpu time spent up to now is 11.9 secs Computing kpt #: 14 total cpu time spent up to now is 12.7 secs Computing kpt #: 15 total cpu time spent up to now is 13.6 secs Computing kpt #: 16 total cpu time spent up to now is 14.4 secs Computing kpt #: 17 total cpu time spent up to now is 15.2 secs Computing kpt #: 18 total cpu time spent up to now is 16.0 secs Computing kpt #: 19 total cpu time spent up to now is 16.8 secs Computing kpt #: 20 total cpu time spent up to now is 17.7 secs Computing kpt #: 21 total cpu time spent up to now is 18.5 secs Computing kpt #: 22 total cpu time spent up to now is 19.4 secs Computing kpt #: 23 total cpu time spent up to now is 20.2 secs Computing kpt #: 24 total cpu time spent up to now is 21.1 secs Computing kpt #: 25 total cpu time spent up to now is 21.9 secs Computing kpt #: 26 total cpu time spent up to now is 22.8 secs Computing kpt #: 27 total cpu time spent up to now is 23.7 secs Computing kpt #: 28 total cpu time spent up to now is 24.7 secs Computing kpt #: 29 total cpu time spent up to now is 25.8 secs Computing kpt #: 30 total cpu time spent up to now is 26.9 secs Computing kpt #: 31 total cpu time spent up to now is 28.0 secs Computing kpt #: 32 total cpu time spent up to now is 29.0 secs Computing kpt #: 33 total cpu time spent up to now is 29.9 secs Computing kpt #: 34 total cpu time spent up to now is 30.8 secs Computing kpt #: 35 total cpu time spent up to now is 31.7 secs Computing kpt #: 36 total cpu time spent up to now is 32.6 secs Computing kpt #: 37 total cpu time spent up to now is 33.4 secs Computing kpt #: 38 total cpu time spent up to now is 34.3 secs Computing kpt #: 39 total cpu time spent up to now is 35.2 secs Computing kpt #: 40 total cpu time spent up to now is 36.1 secs Computing kpt #: 41 total cpu time spent up to now is 36.9 secs Computing kpt #: 42 total cpu time spent up to now is 37.8 secs Computing kpt #: 43 total cpu time spent up to now is 38.7 secs Computing kpt #: 44 total cpu time spent up to now is 39.5 secs Computing kpt #: 45 total cpu time spent up to now is 40.4 secs Computing kpt #: 46 total cpu time spent up to now is 41.3 secs Computing kpt #: 47 total cpu time spent up to now is 42.2 secs Computing kpt #: 48 total cpu time spent up to now is 43.0 secs Computing kpt #: 49 total cpu time spent up to now is 43.9 secs Computing kpt #: 50 total cpu time spent up to now is 44.8 secs Computing kpt #: 51 total cpu time spent up to now is 45.6 secs Computing kpt #: 52 total cpu time spent up to now is 46.5 secs Computing kpt #: 53 total cpu time spent up to now is 47.3 secs Computing kpt #: 54 total cpu time spent up to now is 48.2 secs Computing kpt #: 55 total cpu time spent up to now is 49.1 secs Computing kpt #: 56 total cpu time spent up to now is 50.0 secs Computing kpt #: 57 total cpu time spent up to now is 50.8 secs Computing kpt #: 58 total cpu time spent up to now is 51.7 secs Computing kpt #: 59 total cpu time spent up to now is 52.6 secs Computing kpt #: 60 total cpu time spent up to now is 53.4 secs Computing kpt #: 61 total cpu time spent up to now is 54.3 secs Computing kpt #: 62 total cpu time spent up to now is 55.2 secs Computing kpt #: 63 total cpu time spent up to now is 56.2 secs Computing kpt #: 64 total cpu time spent up to now is 57.3 secs Computing kpt #: 65 total cpu time spent up to now is 58.3 secs Computing kpt #: 66 total cpu time spent up to now is 59.2 secs Computing kpt #: 67 total cpu time spent up to now is 60.0 secs Computing kpt #: 68 total cpu time spent up to now is 60.9 secs Computing kpt #: 69 total cpu time spent up to now is 61.7 secs Computing kpt #: 70 total cpu time spent up to now is 62.5 secs Computing kpt #: 71 total cpu time spent up to now is 63.3 secs Computing kpt #: 72 total cpu time spent up to now is 64.2 secs Computing kpt #: 73 total cpu time spent up to now is 65.0 secs Computing kpt #: 74 total cpu time spent up to now is 65.8 secs Computing kpt #: 75 total cpu time spent up to now is 66.7 secs Computing kpt #: 76 total cpu time spent up to now is 67.5 secs Computing kpt #: 77 total cpu time spent up to now is 68.3 secs Computing kpt #: 78 total cpu time spent up to now is 69.1 secs Computing kpt #: 79 total cpu time spent up to now is 70.0 secs Computing kpt #: 80 total cpu time spent up to now is 70.8 secs Computing kpt #: 81 total cpu time spent up to now is 71.6 secs Computing kpt #: 82 total cpu time spent up to now is 72.4 secs Computing kpt #: 83 total cpu time spent up to now is 73.3 secs Computing kpt #: 84 total cpu time spent up to now is 74.1 secs Computing kpt #: 85 total cpu time spent up to now is 74.9 secs Computing kpt #: 86 total cpu time spent up to now is 75.7 secs Computing kpt #: 87 total cpu time spent up to now is 76.6 secs Computing kpt #: 88 total cpu time spent up to now is 77.4 secs Computing kpt #: 89 total cpu time spent up to now is 78.2 secs Computing kpt #: 90 total cpu time spent up to now is 79.1 secs Computing kpt #: 91 total cpu time spent up to now is 79.9 secs Computing kpt #: 92 total cpu time spent up to now is 80.7 secs Computing kpt #: 93 total cpu time spent up to now is 81.6 secs Computing kpt #: 94 total cpu time spent up to now is 82.4 secs Computing kpt #: 95 total cpu time spent up to now is 83.2 secs Computing kpt #: 96 total cpu time spent up to now is 84.1 secs Computing kpt #: 97 total cpu time spent up to now is 84.9 secs Computing kpt #: 98 total cpu time spent up to now is 85.7 secs Computing kpt #: 99 total cpu time spent up to now is 86.6 secs Computing kpt #: 100 total cpu time spent up to now is 87.5 secs Computing kpt #: 101 total cpu time spent up to now is 88.3 secs Computing kpt #: 102 total cpu time spent up to now is 89.1 secs Computing kpt #: 103 total cpu time spent up to now is 90.0 secs Computing kpt #: 104 total cpu time spent up to now is 90.8 secs Computing kpt #: 105 total cpu time spent up to now is 91.7 secs Computing kpt #: 106 total cpu time spent up to now is 92.6 secs Computing kpt #: 107 total cpu time spent up to now is 93.4 secs Computing kpt #: 108 total cpu time spent up to now is 94.3 secs Computing kpt #: 109 total cpu time spent up to now is 95.2 secs Computing kpt #: 110 total cpu time spent up to now is 96.1 secs Computing kpt #: 111 total cpu time spent up to now is 96.9 secs Computing kpt #: 112 total cpu time spent up to now is 97.8 secs Computing kpt #: 113 total cpu time spent up to now is 98.7 secs Computing kpt #: 114 total cpu time spent up to now is 99.6 secs Computing kpt #: 115 total cpu time spent up to now is 100.5 secs Computing kpt #: 116 total cpu time spent up to now is 101.4 secs Computing kpt #: 117 total cpu time spent up to now is 102.3 secs Computing kpt #: 118 total cpu time spent up to now is 103.2 secs Computing kpt #: 119 total cpu time spent up to now is 104.2 secs Computing kpt #: 120 total cpu time spent up to now is 105.3 secs Computing kpt #: 121 total cpu time spent up to now is 106.2 secs Computing kpt #: 122 total cpu time spent up to now is 107.2 secs Computing kpt #: 123 total cpu time spent up to now is 108.2 secs Computing kpt #: 124 total cpu time spent up to now is 109.1 secs Computing kpt #: 125 total cpu time spent up to now is 110.1 secs Computing kpt #: 126 total cpu time spent up to now is 111.0 secs Computing kpt #: 127 total cpu time spent up to now is 111.9 secs Computing kpt #: 128 total cpu time spent up to now is 112.8 secs Computing kpt #: 129 total cpu time spent up to now is 113.7 secs Computing kpt #: 130 total cpu time spent up to now is 114.6 secs Computing kpt #: 131 total cpu time spent up to now is 115.4 secs Computing kpt #: 132 total cpu time spent up to now is 116.3 secs Computing kpt #: 133 total cpu time spent up to now is 117.2 secs Computing kpt #: 134 total cpu time spent up to now is 118.0 secs Computing kpt #: 135 total cpu time spent up to now is 118.9 secs Computing kpt #: 136 total cpu time spent up to now is 119.8 secs Computing kpt #: 137 total cpu time spent up to now is 120.7 secs Computing kpt #: 138 total cpu time spent up to now is 121.6 secs Computing kpt #: 139 total cpu time spent up to now is 122.4 secs Computing kpt #: 140 total cpu time spent up to now is 123.3 secs Computing kpt #: 141 total cpu time spent up to now is 124.2 secs Computing kpt #: 142 total cpu time spent up to now is 125.1 secs Computing kpt #: 143 total cpu time spent up to now is 126.0 secs Computing kpt #: 144 total cpu time spent up to now is 126.9 secs Computing kpt #: 145 total cpu time spent up to now is 127.8 secs Computing kpt #: 146 total cpu time spent up to now is 128.8 secs Computing kpt #: 147 total cpu time spent up to now is 129.9 secs Computing kpt #: 148 total cpu time spent up to now is 131.0 secs Computing kpt #: 149 total cpu time spent up to now is 132.1 secs Computing kpt #: 150 total cpu time spent up to now is 133.1 secs Computing kpt #: 151 total cpu time spent up to now is 134.0 secs Computing kpt #: 152 total cpu time spent up to now is 134.9 secs Computing kpt #: 153 total cpu time spent up to now is 135.8 secs Computing kpt #: 154 total cpu time spent up to now is 136.6 secs Computing kpt #: 155 total cpu time spent up to now is 137.5 secs Computing kpt #: 156 total cpu time spent up to now is 138.4 secs Computing kpt #: 157 total cpu time spent up to now is 139.3 secs Computing kpt #: 158 total cpu time spent up to now is 140.2 secs Computing kpt #: 159 total cpu time spent up to now is 141.0 secs Computing kpt #: 160 total cpu time spent up to now is 141.9 secs Computing kpt #: 161 total cpu time spent up to now is 142.8 secs Computing kpt #: 162 total cpu time spent up to now is 143.6 secs Computing kpt #: 163 total cpu time spent up to now is 144.5 secs Computing kpt #: 164 total cpu time spent up to now is 145.4 secs Computing kpt #: 165 total cpu time spent up to now is 146.3 secs Computing kpt #: 166 total cpu time spent up to now is 147.2 secs Computing kpt #: 167 total cpu time spent up to now is 148.1 secs Computing kpt #: 168 total cpu time spent up to now is 149.0 secs Computing kpt #: 169 total cpu time spent up to now is 149.9 secs Computing kpt #: 170 total cpu time spent up to now is 150.8 secs Computing kpt #: 171 total cpu time spent up to now is 151.8 secs Computing kpt #: 172 total cpu time spent up to now is 152.8 secs Computing kpt #: 173 total cpu time spent up to now is 153.9 secs Computing kpt #: 174 total cpu time spent up to now is 154.9 secs Computing kpt #: 175 total cpu time spent up to now is 155.9 secs Computing kpt #: 176 total cpu time spent up to now is 157.0 secs Computing kpt #: 177 total cpu time spent up to now is 158.0 secs Computing kpt #: 178 total cpu time spent up to now is 158.9 secs Computing kpt #: 179 total cpu time spent up to now is 159.9 secs Computing kpt #: 180 total cpu time spent up to now is 161.0 secs Computing kpt #: 181 total cpu time spent up to now is 161.9 secs Computing kpt #: 182 total cpu time spent up to now is 162.8 secs Computing kpt #: 183 total cpu time spent up to now is 163.7 secs Computing kpt #: 184 total cpu time spent up to now is 164.6 secs Computing kpt #: 185 total cpu time spent up to now is 165.4 secs Computing kpt #: 186 total cpu time spent up to now is 166.2 secs Computing kpt #: 187 total cpu time spent up to now is 167.0 secs Computing kpt #: 188 total cpu time spent up to now is 167.8 secs Computing kpt #: 189 total cpu time spent up to now is 168.6 secs Computing kpt #: 190 total cpu time spent up to now is 169.4 secs Computing kpt #: 191 total cpu time spent up to now is 170.1 secs Computing kpt #: 192 total cpu time spent up to now is 170.8 secs Computing kpt #: 193 total cpu time spent up to now is 171.6 secs Computing kpt #: 194 total cpu time spent up to now is 172.3 secs Computing kpt #: 195 total cpu time spent up to now is 173.1 secs Computing kpt #: 196 total cpu time spent up to now is 173.8 secs Computing kpt #: 197 total cpu time spent up to now is 174.6 secs Computing kpt #: 198 total cpu time spent up to now is 175.3 secs Computing kpt #: 199 total cpu time spent up to now is 176.1 secs Computing kpt #: 200 total cpu time spent up to now is 176.8 secs Computing kpt #: 201 total cpu time spent up to now is 177.6 secs Computing kpt #: 202 total cpu time spent up to now is 178.4 secs Computing kpt #: 203 total cpu time spent up to now is 179.1 secs Computing kpt #: 204 total cpu time spent up to now is 179.9 secs Computing kpt #: 205 total cpu time spent up to now is 180.7 secs Computing kpt #: 206 total cpu time spent up to now is 181.5 secs Computing kpt #: 207 total cpu time spent up to now is 182.3 secs Computing kpt #: 208 total cpu time spent up to now is 183.1 secs Computing kpt #: 209 total cpu time spent up to now is 184.0 secs Computing kpt #: 210 total cpu time spent up to now is 185.0 secs Computing kpt #: 211 total cpu time spent up to now is 185.9 secs Computing kpt #: 212 total cpu time spent up to now is 186.9 secs Computing kpt #: 213 total cpu time spent up to now is 187.9 secs Computing kpt #: 214 total cpu time spent up to now is 188.9 secs Computing kpt #: 215 total cpu time spent up to now is 189.9 secs Computing kpt #: 216 total cpu time spent up to now is 190.9 secs Computing kpt #: 217 total cpu time spent up to now is 191.9 secs Computing kpt #: 218 total cpu time spent up to now is 192.9 secs Computing kpt #: 219 total cpu time spent up to now is 193.9 secs Computing kpt #: 220 total cpu time spent up to now is 194.9 secs Computing kpt #: 221 total cpu time spent up to now is 195.9 secs Computing kpt #: 222 total cpu time spent up to now is 196.9 secs Computing kpt #: 223 total cpu time spent up to now is 197.9 secs Computing kpt #: 224 total cpu time spent up to now is 198.9 secs Computing kpt #: 225 total cpu time spent up to now is 199.9 secs Computing kpt #: 226 total cpu time spent up to now is 200.8 secs Computing kpt #: 227 total cpu time spent up to now is 201.8 secs Computing kpt #: 228 total cpu time spent up to now is 202.8 secs Computing kpt #: 229 total cpu time spent up to now is 203.8 secs Computing kpt #: 230 total cpu time spent up to now is 204.8 secs Computing kpt #: 231 total cpu time spent up to now is 205.8 secs Computing kpt #: 232 total cpu time spent up to now is 206.7 secs Computing kpt #: 233 total cpu time spent up to now is 207.7 secs Computing kpt #: 234 total cpu time spent up to now is 208.7 secs Computing kpt #: 235 total cpu time spent up to now is 209.7 secs Computing kpt #: 236 total cpu time spent up to now is 210.7 secs Computing kpt #: 237 total cpu time spent up to now is 211.7 secs Computing kpt #: 238 total cpu time spent up to now is 212.6 secs Computing kpt #: 239 total cpu time spent up to now is 213.6 secs Computing kpt #: 240 total cpu time spent up to now is 214.6 secs Computing kpt #: 241 total cpu time spent up to now is 215.6 secs Computing kpt #: 242 total cpu time spent up to now is 216.6 secs Computing kpt #: 243 total cpu time spent up to now is 217.5 secs Computing kpt #: 244 total cpu time spent up to now is 218.3 secs Computing kpt #: 245 total cpu time spent up to now is 219.4 secs Computing kpt #: 246 total cpu time spent up to now is 220.3 secs Computing kpt #: 247 total cpu time spent up to now is 221.3 secs Computing kpt #: 248 total cpu time spent up to now is 222.3 secs Computing kpt #: 249 total cpu time spent up to now is 223.4 secs Computing kpt #: 250 total cpu time spent up to now is 224.5 secs Computing kpt #: 251 total cpu time spent up to now is 225.5 secs Computing kpt #: 252 total cpu time spent up to now is 226.4 secs Computing kpt #: 253 total cpu time spent up to now is 227.3 secs Computing kpt #: 254 total cpu time spent up to now is 228.2 secs Computing kpt #: 255 total cpu time spent up to now is 229.1 secs Computing kpt #: 256 total cpu time spent up to now is 229.9 secs Computing kpt #: 257 total cpu time spent up to now is 230.8 secs Computing kpt #: 258 total cpu time spent up to now is 231.7 secs Computing kpt #: 259 total cpu time spent up to now is 232.5 secs Computing kpt #: 260 total cpu time spent up to now is 233.4 secs Computing kpt #: 261 total cpu time spent up to now is 234.3 secs Computing kpt #: 262 total cpu time spent up to now is 235.2 secs Computing kpt #: 263 total cpu time spent up to now is 236.1 secs Computing kpt #: 264 total cpu time spent up to now is 237.1 secs Computing kpt #: 265 total cpu time spent up to now is 238.0 secs Computing kpt #: 266 total cpu time spent up to now is 238.9 secs Computing kpt #: 267 total cpu time spent up to now is 239.8 secs Computing kpt #: 268 total cpu time spent up to now is 240.6 secs Computing kpt #: 269 total cpu time spent up to now is 241.4 secs Computing kpt #: 270 total cpu time spent up to now is 242.3 secs Computing kpt #: 271 total cpu time spent up to now is 243.1 secs Computing kpt #: 272 total cpu time spent up to now is 243.9 secs Computing kpt #: 273 total cpu time spent up to now is 244.7 secs Computing kpt #: 274 total cpu time spent up to now is 245.6 secs Computing kpt #: 275 total cpu time spent up to now is 246.4 secs Computing kpt #: 276 total cpu time spent up to now is 247.2 secs Computing kpt #: 277 total cpu time spent up to now is 248.0 secs Computing kpt #: 278 total cpu time spent up to now is 248.9 secs Computing kpt #: 279 total cpu time spent up to now is 249.7 secs Computing kpt #: 280 total cpu time spent up to now is 250.5 secs Computing kpt #: 281 total cpu time spent up to now is 251.4 secs Computing kpt #: 282 total cpu time spent up to now is 252.3 secs Computing kpt #: 283 total cpu time spent up to now is 253.1 secs Computing kpt #: 284 total cpu time spent up to now is 254.0 secs Computing kpt #: 285 total cpu time spent up to now is 254.9 secs Computing kpt #: 286 total cpu time spent up to now is 255.7 secs Computing kpt #: 287 total cpu time spent up to now is 256.6 secs Computing kpt #: 288 total cpu time spent up to now is 257.4 secs Computing kpt #: 289 total cpu time spent up to now is 258.3 secs Computing kpt #: 290 total cpu time spent up to now is 259.1 secs Computing kpt #: 291 total cpu time spent up to now is 260.0 secs Computing kpt #: 292 total cpu time spent up to now is 260.8 secs Computing kpt #: 293 total cpu time spent up to now is 261.7 secs Computing kpt #: 294 total cpu time spent up to now is 262.6 secs Computing kpt #: 295 total cpu time spent up to now is 263.6 secs Computing kpt #: 296 total cpu time spent up to now is 264.7 secs Computing kpt #: 297 total cpu time spent up to now is 265.7 secs Computing kpt #: 298 total cpu time spent up to now is 266.8 secs Computing kpt #: 299 total cpu time spent up to now is 267.8 secs Computing kpt #: 300 total cpu time spent up to now is 268.8 secs Computing kpt #: 301 total cpu time spent up to now is 269.8 secs Computing kpt #: 302 total cpu time spent up to now is 270.8 secs Computing kpt #: 303 total cpu time spent up to now is 271.8 secs Computing kpt #: 304 total cpu time spent up to now is 272.8 secs Computing kpt #: 305 total cpu time spent up to now is 273.7 secs Computing kpt #: 306 total cpu time spent up to now is 274.6 secs Computing kpt #: 307 total cpu time spent up to now is 275.5 secs Computing kpt #: 308 total cpu time spent up to now is 276.4 secs Computing kpt #: 309 total cpu time spent up to now is 277.2 secs Computing kpt #: 310 total cpu time spent up to now is 278.1 secs Computing kpt #: 311 total cpu time spent up to now is 278.9 secs Computing kpt #: 312 total cpu time spent up to now is 279.8 secs Computing kpt #: 313 total cpu time spent up to now is 280.7 secs Computing kpt #: 314 total cpu time spent up to now is 281.6 secs Computing kpt #: 315 total cpu time spent up to now is 282.4 secs Computing kpt #: 316 total cpu time spent up to now is 283.3 secs Computing kpt #: 317 total cpu time spent up to now is 284.1 secs Computing kpt #: 318 total cpu time spent up to now is 285.0 secs Computing kpt #: 319 total cpu time spent up to now is 285.8 secs Computing kpt #: 320 total cpu time spent up to now is 286.7 secs Computing kpt #: 321 total cpu time spent up to now is 287.6 secs Computing kpt #: 322 total cpu time spent up to now is 288.5 secs Computing kpt #: 323 total cpu time spent up to now is 289.3 secs Computing kpt #: 324 total cpu time spent up to now is 290.2 secs ethr = 2.78E-08, avg # of iterations = 18.9 total cpu time spent up to now is 290.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 13289 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9781 -12.9781 -12.1796 -12.1796 -12.0189 -12.0189 -11.9819 -11.9819 -2.7798 -2.7798 -2.3902 -2.3902 -2.1441 -2.1441 -1.2463 -1.2463 -0.8922 -0.8922 -0.8259 -0.8259 -0.5224 -0.5224 -0.3820 -0.3820 0.5369 0.5369 0.8369 0.8369 1.0791 1.0791 1.2547 1.2547 6.6018 6.6018 6.6953 6.6953 8.0732 8.0732 8.4818 8.4818 k =-0.0087 0.0115 0.0145 ( 13295 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9776 -12.9776 -12.1801 -12.1801 -12.0190 -12.0190 -11.9819 -11.9819 -2.7794 -2.7794 -2.3963 -2.3963 -2.1363 -2.1363 -1.2509 -1.2509 -0.9045 -0.9045 -0.8128 -0.8128 -0.5175 -0.5175 -0.3810 -0.3810 0.5349 0.5349 0.8357 0.8357 1.0775 1.0775 1.2542 1.2542 6.6064 6.6064 6.6982 6.6982 8.0722 8.0722 8.4800 8.4800 k =-0.0173 0.0230 0.0289 ( 13295 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9760 -12.9760 -12.1816 -12.1816 -12.0193 -12.0193 -11.9820 -11.9820 -2.7782 -2.7782 -2.4128 -2.4128 -2.1149 -2.1149 -1.2641 -1.2641 -0.9295 -0.9295 -0.7858 -0.7858 -0.5034 -0.5034 -0.3780 -0.3780 0.5287 0.5287 0.8321 0.8321 1.0727 1.0727 1.2528 1.2528 6.6199 6.6199 6.7068 6.7068 8.0690 8.0690 8.4747 8.4747 k =-0.0260 0.0345 0.0434 ( 13291 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9735 -12.9735 -12.1842 -12.1842 -12.0199 -12.0199 -11.9820 -11.9820 -2.7763 -2.7763 -2.4356 -2.4356 -2.0839 -2.0839 -1.2845 -1.2845 -0.9578 -0.9578 -0.7542 -0.7542 -0.4813 -0.4813 -0.3730 -0.3730 0.5184 0.5184 0.8262 0.8262 1.0651 1.0651 1.2505 1.2505 6.6424 6.6424 6.7210 6.7210 8.0639 8.0639 8.4660 8.4660 k =-0.0347 0.0459 0.0578 ( 13303 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9699 -12.9699 -12.1877 -12.1877 -12.0206 -12.0206 -11.9821 -11.9821 -2.7736 -2.7736 -2.4616 -2.4616 -2.0467 -2.0467 -1.3103 -1.3103 -0.9874 -0.9874 -0.7204 -0.7204 -0.4532 -0.4532 -0.3656 -0.3656 0.5038 0.5038 0.8179 0.8179 1.0548 1.0548 1.2472 1.2472 6.6735 6.6735 6.7411 6.7411 8.0570 8.0570 8.4542 8.4542 k =-0.0434 0.0574 0.0723 ( 13327 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9653 -12.9653 -12.1923 -12.1923 -12.0216 -12.0216 -11.9822 -11.9822 -2.7702 -2.7702 -2.4887 -2.4887 -2.0054 -2.0054 -1.3397 -1.3397 -1.0173 -1.0173 -0.6854 -0.6854 -0.4211 -0.4211 -0.3553 -0.3553 0.4848 0.4848 0.8073 0.8073 1.0425 1.0425 1.2431 1.2431 6.7128 6.7128 6.7668 6.7668 8.0485 8.0485 8.4396 8.4396 k =-0.0520 0.0689 0.0868 ( 13353 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9598 -12.9598 -12.1978 -12.1978 -12.0228 -12.0228 -11.9824 -11.9824 -2.7661 -2.7661 -2.5157 -2.5157 -1.9615 -1.9615 -1.3711 -1.3711 -1.0473 -1.0473 -0.6500 -0.6500 -0.3882 -0.3882 -0.3403 -0.3403 0.4614 0.4614 0.7946 0.7946 1.0287 1.0287 1.2382 1.2382 6.7600 6.7600 6.7982 6.7982 8.0386 8.0386 8.4226 8.4226 k =-0.0607 0.0804 0.1012 ( 13369 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9532 -12.9532 -12.2043 -12.2043 -12.0242 -12.0242 -11.9825 -11.9825 -2.7612 -2.7612 -2.5420 -2.5420 -1.9161 -1.9161 -1.4030 -1.4030 -1.0768 -1.0768 -0.6144 -0.6144 -0.3599 -0.3599 -0.3168 -0.3168 0.4334 0.4334 0.7798 0.7798 1.0139 1.0139 1.2325 1.2325 6.8145 6.8145 6.8352 6.8352 8.0275 8.0275 8.4035 8.4035 k =-0.0694 0.0919 0.1157 ( 13369 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9456 -12.9456 -12.2117 -12.2117 -12.0258 -12.0258 -11.9827 -11.9827 -2.7556 -2.7556 -2.5671 -2.5671 -1.8702 -1.8702 -1.4342 -1.4342 -1.1056 -1.1056 -0.5792 -0.5792 -0.3385 -0.3385 -0.2835 -0.2835 0.4010 0.4010 0.7631 0.7631 0.9987 0.9987 1.2261 1.2261 6.8755 6.8755 6.8781 6.8781 8.0155 8.0155 8.3827 8.3827 k =-0.0781 0.1034 0.1302 ( 13367 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9371 -12.9371 -12.2201 -12.2201 -12.0277 -12.0277 -11.9829 -11.9829 -2.7494 -2.7494 -2.5908 -2.5908 -1.8251 -1.8251 -1.4632 -1.4632 -1.1333 -1.1333 -0.5445 -0.5445 -0.3200 -0.3200 -0.2453 -0.2453 0.3643 0.3643 0.7445 0.7445 0.9836 0.9836 1.2191 1.2191 6.9261 6.9261 6.9430 6.9430 8.0029 8.0029 8.3605 8.3605 k =-0.0867 0.1149 0.1446 ( 13367 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9277 -12.9277 -12.2293 -12.2293 -12.0297 -12.0297 -11.9832 -11.9832 -2.7425 -2.7425 -2.6129 -2.6129 -1.7828 -1.7828 -1.4879 -1.4879 -1.1595 -1.1595 -0.5104 -0.5104 -0.3017 -0.3017 -0.2063 -0.2063 0.3236 0.3236 0.7244 0.7244 0.9692 0.9692 1.2115 1.2115 6.9799 6.9799 7.0154 7.0154 7.9899 7.9899 8.3373 8.3373 k =-0.0954 0.1264 0.1591 ( 13363 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9173 -12.9173 -12.2393 -12.2393 -12.0320 -12.0320 -11.9835 -11.9835 -2.7350 -2.7350 -2.6334 -2.6334 -1.7467 -1.7467 -1.5052 -1.5052 -1.1838 -1.1838 -0.4773 -0.4773 -0.2826 -0.2826 -0.1686 -0.1686 0.2797 0.2797 0.7028 0.7028 0.9559 0.9559 1.2036 1.2036 7.0392 7.0392 7.0922 7.0922 7.9768 7.9768 8.3134 8.3134 k =-0.1041 0.1378 0.1735 ( 13359 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9060 -12.9060 -12.2501 -12.2501 -12.0344 -12.0344 -11.9838 -11.9838 -2.7269 -2.7269 -2.6521 -2.6521 -1.7217 -1.7217 -1.5104 -1.5104 -1.2054 -1.2054 -0.4451 -0.4451 -0.2623 -0.2623 -0.1343 -0.1343 0.2336 0.2336 0.6801 0.6801 0.9438 0.9438 1.1954 1.1954 7.1039 7.1039 7.1723 7.1723 7.9638 7.9638 8.2890 8.2890 k =-0.1128 0.1493 0.1880 ( 13363 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8939 -12.8939 -12.2617 -12.2617 -12.0371 -12.0371 -11.9842 -11.9842 -2.7183 -2.7183 -2.6690 -2.6690 -1.7120 -1.7120 -1.5004 -1.5004 -1.2234 -1.2234 -0.4139 -0.4139 -0.2410 -0.2410 -0.1059 -0.1059 0.1876 0.1876 0.6564 0.6564 0.9334 0.9334 1.1871 1.1871 7.1739 7.1739 7.2545 7.2545 7.9512 7.9512 8.2646 8.2646 k =-0.1214 0.1608 0.2025 ( 13361 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8809 -12.8809 -12.2740 -12.2740 -12.0399 -12.0399 -11.9846 -11.9846 -2.7093 -2.7093 -2.6841 -2.6841 -1.7159 -1.7159 -1.4783 -1.4783 -1.2360 -1.2360 -0.3841 -0.3841 -0.2186 -0.2186 -0.0873 -0.0873 0.1457 0.1457 0.6319 0.6319 0.9247 0.9247 1.1788 1.1788 7.2491 7.2491 7.3375 7.3375 7.9392 7.9392 8.2403 8.2403 k =-0.1301 0.1723 0.2169 ( 13345 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8671 -12.8671 -12.2870 -12.2870 -12.0429 -12.0429 -11.9850 -11.9850 -2.7015 -2.7015 -2.6957 -2.6957 -1.7279 -1.7279 -1.4526 -1.4526 -1.2402 -1.2402 -0.3559 -0.3559 -0.1955 -0.1955 -0.0852 -0.0852 0.1147 0.1147 0.6068 0.6068 0.9177 0.9177 1.1709 1.1709 7.3293 7.3293 7.4195 7.4195 7.9281 7.9281 8.2166 8.2166 k =-0.1388 0.1838 0.2314 ( 13349 PWs) bands (ev): -98.1243 -98.1243 -98.1240 -98.1240 -12.8524 -12.8524 -12.3006 -12.3006 -12.0461 -12.0461 -11.9855 -11.9855 -2.7101 -2.7101 -2.6888 -2.6888 -1.7435 -1.7435 -1.4318 -1.4318 -1.2321 -1.2321 -0.3304 -0.3304 -0.1721 -0.1721 -0.1042 -0.1042 0.1007 0.1007 0.5814 0.5814 0.9125 0.9125 1.1634 1.1634 7.4144 7.4144 7.4985 7.4985 7.9183 7.9183 8.1936 8.1936 k =-0.1475 0.1953 0.2458 ( 13335 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.8370 -12.8370 -12.3148 -12.3148 -12.0495 -12.0495 -11.9861 -11.9861 -2.7199 -2.7199 -2.6784 -2.6784 -1.7599 -1.7599 -1.4207 -1.4207 -1.2096 -1.2096 -0.3105 -0.3105 -0.1544 -0.1544 -0.1324 -0.1324 0.1006 0.1006 0.5558 0.5558 0.9088 0.9088 1.1568 1.1568 7.5041 7.5041 7.5720 7.5720 7.9098 7.9098 8.1716 8.1716 k =-0.1561 0.2068 0.2603 ( 13329 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.8209 -12.8209 -12.3295 -12.3295 -12.0531 -12.0531 -11.9867 -11.9867 -2.7282 -2.7282 -2.6677 -2.6677 -1.7757 -1.7757 -1.4186 -1.4186 -1.1748 -1.1748 -0.3054 -0.3054 -0.1766 -0.1766 -0.1187 -0.1187 0.1068 0.1068 0.5303 0.5303 0.9065 0.9065 1.1512 1.1512 7.5982 7.5982 7.6370 7.6370 7.9031 7.9031 8.1510 8.1510 k =-0.1648 0.2182 0.2748 ( 13329 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.8041 -12.8041 -12.3447 -12.3447 -12.0568 -12.0568 -11.9873 -11.9873 -2.7350 -2.7350 -2.6565 -2.6565 -1.7901 -1.7901 -1.4220 -1.4220 -1.1321 -1.1321 -0.3308 -0.3308 -0.1864 -0.1864 -0.0944 -0.0944 0.1138 0.1138 0.5051 0.5051 0.9049 0.9049 1.1469 1.1469 7.6895 7.6895 7.6970 7.6970 7.8985 7.8985 8.1319 8.1319 k =-0.1735 0.2297 0.2892 ( 13335 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.7867 -12.7867 -12.3603 -12.3603 -12.0607 -12.0607 -11.9880 -11.9880 -2.7402 -2.7402 -2.6452 -2.6452 -1.8027 -1.8027 -1.4280 -1.4280 -1.0851 -1.0851 -0.3827 -0.3827 -0.1749 -0.1749 -0.0695 -0.0695 0.1194 0.1194 0.4805 0.4805 0.9039 0.9039 1.1441 1.1441 7.7279 7.7279 7.7980 7.7980 7.8965 7.8965 8.1146 8.1146 k =-0.1822 0.2412 0.3037 ( 13333 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.7686 -12.7686 -12.3763 -12.3763 -12.0647 -12.0647 -11.9888 -11.9888 -2.7439 -2.7439 -2.6337 -2.6337 -1.8131 -1.8131 -1.4346 -1.4346 -1.0360 -1.0360 -0.4462 -0.4462 -0.1553 -0.1553 -0.0446 -0.0446 0.1228 0.1228 0.4567 0.4567 0.9028 0.9028 1.1427 1.1427 7.7482 7.7482 7.8874 7.8874 7.9124 7.9124 8.0995 8.0995 k =-0.1908 0.2527 0.3182 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.7499 -12.7499 -12.3926 -12.3926 -12.0689 -12.0689 -11.9896 -11.9896 -2.7462 -2.7462 -2.6220 -2.6220 -1.8212 -1.8212 -1.4409 -1.4409 -0.9863 -0.9863 -0.5145 -0.5145 -0.1335 -0.1335 -0.0204 -0.0204 0.1241 0.1241 0.4340 0.4340 0.9013 0.9013 1.1427 1.1427 7.7498 7.7498 7.8962 7.8962 8.0139 8.0139 8.0871 8.0871 k =-0.1995 0.2642 0.3326 ( 13337 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.7308 -12.7308 -12.4092 -12.4092 -12.0732 -12.0732 -11.9904 -11.9904 -2.7471 -2.7471 -2.6104 -2.6104 -1.8268 -1.8268 -1.4462 -1.4462 -0.9369 -0.9369 -0.5850 -0.5850 -0.1116 -0.1116 0.0026 0.0026 0.1241 0.1241 0.4126 0.4126 0.8993 0.8993 1.1438 1.1438 7.7340 7.7340 7.9021 7.9021 8.0740 8.0740 8.1267 8.1267 k =-0.2082 0.2757 0.3471 ( 13349 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.7111 -12.7111 -12.4260 -12.4260 -12.0776 -12.0776 -11.9914 -11.9914 -2.7468 -2.7468 -2.5987 -2.5987 -1.8299 -1.8299 -1.4503 -1.4503 -0.8885 -0.8885 -0.6565 -0.6565 -0.0906 -0.0906 0.0224 0.0224 0.1248 0.1248 0.3929 0.3929 0.8965 0.8965 1.1455 1.1455 7.7034 7.7034 7.9106 7.9106 8.0668 8.0668 8.2377 8.2377 k =-0.2169 0.2872 0.3615 ( 13355 PWs) bands (ev): -98.1242 -98.1242 -98.1241 -98.1241 -12.6911 -12.6911 -12.4430 -12.4430 -12.0821 -12.0821 -11.9923 -11.9923 -2.7453 -2.7453 -2.5872 -2.5872 -1.8303 -1.8303 -1.4528 -1.4528 -0.8417 -0.8417 -0.7279 -0.7279 -0.0713 -0.0713 0.0361 0.0361 0.1296 0.1296 0.3752 0.3752 0.8932 0.8932 1.1472 1.1472 7.6615 7.6615 7.9224 7.9224 8.0614 8.0614 8.3497 8.3497 k =-0.2255 0.2987 0.3760 ( 13345 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.6706 -12.6706 -12.4600 -12.4600 -12.0868 -12.0868 -11.9934 -11.9934 -2.7427 -2.7427 -2.5759 -2.5759 -1.8280 -1.8280 -1.4539 -1.4539 -0.8073 -0.8073 -0.7885 -0.7885 -0.0541 -0.0541 0.0406 0.0406 0.1418 0.1418 0.3599 0.3599 0.8894 0.8894 1.1484 1.1484 7.6117 7.6117 7.9376 7.9376 8.0585 8.0585 8.4600 8.4600 k =-0.2342 0.3101 0.3905 ( 13363 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.6499 -12.6499 -12.4772 -12.4772 -12.0915 -12.0915 -11.9944 -11.9944 -2.7391 -2.7391 -2.5649 -2.5649 -1.8231 -1.8231 -1.4533 -1.4533 -0.8712 -0.8712 -0.7519 -0.7519 -0.0392 -0.0392 0.0362 0.0362 0.1612 0.1612 0.3475 0.3475 0.8854 0.8854 1.1483 1.1483 7.5570 7.5570 7.9562 7.9562 8.0581 8.0581 8.5644 8.5644 k =-0.2429 0.3216 0.4049 ( 13359 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.6288 -12.6288 -12.4943 -12.4943 -12.0962 -12.0962 -11.9955 -11.9955 -2.7346 -2.7346 -2.5543 -2.5543 -1.8154 -1.8154 -1.4513 -1.4513 -0.9400 -0.9400 -0.7116 -0.7116 -0.0269 -0.0269 0.0258 0.0258 0.1848 0.1848 0.3385 0.3385 0.8812 0.8812 1.1464 1.1464 7.4997 7.4997 7.9785 7.9785 8.0600 8.0600 8.6537 8.6537 k =-0.2516 0.3331 0.4194 ( 13345 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.6076 -12.6076 -12.5114 -12.5114 -12.1010 -12.1010 -11.9967 -11.9967 -2.7293 -2.7293 -2.5442 -2.5442 -1.8050 -1.8050 -1.4480 -1.4480 -1.0069 -1.0069 -0.6738 -0.6738 -0.0173 -0.0173 0.0117 0.0117 0.2097 0.2097 0.3339 0.3339 0.8771 0.8771 1.1423 1.1423 7.4415 7.4415 8.0045 8.0045 8.0639 8.0639 8.7031 8.7031 k =-0.2602 0.3446 0.4338 ( 13337 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5862 -12.5862 -12.5284 -12.5284 -12.1059 -12.1059 -11.9979 -11.9979 -2.7232 -2.7232 -2.5347 -2.5347 -1.7920 -1.7920 -1.4438 -1.4438 -1.0713 -1.0713 -0.6389 -0.6389 -0.0112 -0.0112 -0.0039 -0.0039 0.2332 0.2332 0.3352 0.3352 0.8731 0.8731 1.1353 1.1353 7.3839 7.3839 8.0341 8.0341 8.0694 8.0694 8.6785 8.6785 k =-0.2689 0.3561 0.4483 ( 13317 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5647 -12.5647 -12.5453 -12.5453 -12.1108 -12.1108 -11.9992 -11.9992 -2.7165 -2.7165 -2.5260 -2.5260 -1.7764 -1.7764 -1.4394 -1.4394 -1.1319 -1.1319 -0.6070 -0.6070 -0.0235 -0.0235 -0.0051 -0.0051 0.2528 0.2528 0.3443 0.3443 0.8694 0.8694 1.1254 1.1254 7.3278 7.3278 8.0670 8.0670 8.0764 8.0764 8.5968 8.5968 k =-0.2776 0.3676 0.4628 ( 13325 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5619 -12.5619 -12.5432 -12.5432 -12.1157 -12.1157 -12.0004 -12.0004 -2.7092 -2.7092 -2.5182 -2.5182 -1.7582 -1.7582 -1.4363 -1.4363 -1.1870 -1.1870 -0.5782 -0.5782 -0.0424 -0.0424 -0.0033 -0.0033 0.2670 0.2670 0.3621 0.3621 0.8660 0.8660 1.1121 1.1121 7.2741 7.2741 8.0824 8.0824 8.1047 8.1047 8.4932 8.4932 k =-0.2863 0.3791 0.4772 ( 13339 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.5783 -12.5783 -12.5218 -12.5218 -12.1205 -12.1205 -12.0017 -12.0017 -2.7016 -2.7016 -2.5113 -2.5113 -1.7378 -1.7378 -1.4370 -1.4370 -1.2335 -1.2335 -0.5525 -0.5525 -0.0622 -0.0622 -0.0037 -0.0037 0.2771 0.2771 0.3868 0.3868 0.8629 0.8629 1.0953 1.0953 7.2233 7.2233 8.0887 8.0887 8.1449 8.1449 8.3830 8.3830 k =-0.2949 0.3906 0.4917 ( 13351 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.5945 -12.5945 -12.5004 -12.5004 -12.1254 -12.1254 -12.0030 -12.0030 -2.6935 -2.6935 -2.5057 -2.5057 -1.7153 -1.7153 -1.4459 -1.4459 -1.2667 -1.2667 -0.5297 -0.5297 -0.0825 -0.0825 -0.0060 -0.0060 0.2855 0.2855 0.4155 0.4155 0.8600 0.8600 1.0750 1.0750 7.1759 7.1759 8.0931 8.0931 8.1879 8.1879 8.2721 8.2721 k =-0.3036 0.4020 0.5062 ( 13341 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6103 -12.6103 -12.4793 -12.4793 -12.1302 -12.1302 -12.0044 -12.0044 -2.6853 -2.6853 -2.5014 -2.5014 -1.6914 -1.6914 -1.4658 -1.4658 -1.2829 -1.2829 -0.5098 -0.5098 -0.1030 -0.1030 -0.0103 -0.0103 0.2934 0.2934 0.4462 0.4462 0.8573 0.8573 1.0513 1.0513 7.1322 7.1322 8.0942 8.0942 8.1605 8.1605 8.2363 8.2363 k =-0.3123 0.4135 0.5206 ( 13333 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6257 -12.6257 -12.4584 -12.4584 -12.1350 -12.1350 -12.0057 -12.0057 -2.6768 -2.6768 -2.4985 -2.4985 -1.6678 -1.6678 -1.4933 -1.4933 -1.2838 -1.2838 -0.4924 -0.4924 -0.1236 -0.1236 -0.0162 -0.0162 0.3015 0.3015 0.4778 0.4778 0.8546 0.8546 1.0242 1.0242 7.0925 7.0925 8.0506 8.0506 8.0950 8.0950 8.2847 8.2847 k =-0.3209 0.4250 0.5351 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6408 -12.6408 -12.4377 -12.4377 -12.1397 -12.1397 -12.0071 -12.0071 -2.6683 -2.6683 -2.4973 -2.4973 -1.6487 -1.6487 -1.5190 -1.5190 -1.2743 -1.2743 -0.4773 -0.4773 -0.1442 -0.1442 -0.0236 -0.0236 0.3099 0.3099 0.5092 0.5092 0.8519 0.8519 0.9942 0.9942 7.0571 7.0571 7.9475 7.9475 8.0872 8.0872 8.3356 8.3356 k =-0.3209 0.4250 0.5351 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6408 -12.6408 -12.4377 -12.4377 -12.1397 -12.1397 -12.0071 -12.0071 -2.6683 -2.6683 -2.4973 -2.4973 -1.6487 -1.6487 -1.5190 -1.5190 -1.2743 -1.2743 -0.4773 -0.4773 -0.1442 -0.1442 -0.0236 -0.0236 0.3099 0.3099 0.5092 0.5092 0.8519 0.8519 0.9942 0.9942 7.0571 7.0571 7.9475 7.9475 8.0872 8.0872 8.3356 8.3356 k =-0.3125 0.4138 0.5491 ( 13340 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6407 -12.6407 -12.4376 -12.4376 -12.1396 -12.1396 -12.0073 -12.0073 -2.6684 -2.6684 -2.4984 -2.4984 -1.6513 -1.6513 -1.5164 -1.5164 -1.2754 -1.2754 -0.4755 -0.4755 -0.1445 -0.1445 -0.0234 -0.0234 0.3105 0.3105 0.5101 0.5101 0.8518 0.8518 0.9943 0.9943 7.0589 7.0589 7.9466 7.9466 8.0859 8.0859 8.3359 8.3359 k =-0.3040 0.4025 0.5631 ( 13347 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6404 -12.6404 -12.4372 -12.4372 -12.1395 -12.1395 -12.0081 -12.0081 -2.6688 -2.6688 -2.5017 -2.5017 -1.6582 -1.6582 -1.5096 -1.5096 -1.2787 -1.2787 -0.4702 -0.4702 -0.1455 -0.1455 -0.0231 -0.0231 0.3121 0.3121 0.5128 0.5128 0.8517 0.8517 0.9947 0.9947 7.0640 7.0640 7.9438 7.9438 8.0819 8.0819 8.3370 8.3370 k =-0.2955 0.3913 0.5772 ( 13345 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6399 -12.6399 -12.4366 -12.4366 -12.1393 -12.1393 -12.0093 -12.0093 -2.6694 -2.6694 -2.5070 -2.5070 -1.6683 -1.6683 -1.5002 -1.5002 -1.2836 -1.2836 -0.4615 -0.4615 -0.1470 -0.1470 -0.0225 -0.0225 0.3149 0.3149 0.5172 0.5172 0.8515 0.8515 0.9954 0.9954 7.0725 7.0725 7.9394 7.9394 8.0757 8.0757 8.3388 8.3388 k =-0.2870 0.3800 0.5912 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6393 -12.6393 -12.4357 -12.4357 -12.1390 -12.1390 -12.0111 -12.0111 -2.6703 -2.6703 -2.5144 -2.5144 -1.6801 -1.6801 -1.4901 -1.4901 -1.2893 -1.2893 -0.4498 -0.4498 -0.1492 -0.1492 -0.0218 -0.0218 0.3188 0.3188 0.5232 0.5232 0.8513 0.8513 0.9964 0.9964 7.0842 7.0842 7.9333 7.9333 8.0676 8.0676 8.3412 8.3412 k =-0.2785 0.3688 0.6052 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6385 -12.6385 -12.4345 -12.4345 -12.1386 -12.1386 -12.0133 -12.0133 -2.6715 -2.6715 -2.5236 -2.5236 -1.6926 -1.6926 -1.4814 -1.4814 -1.2944 -1.2944 -0.4354 -0.4354 -0.1519 -0.1519 -0.0210 -0.0210 0.3239 0.3239 0.5308 0.5308 0.8510 0.8510 0.9978 0.9978 7.0990 7.0990 7.9256 7.9256 8.0581 8.0581 8.3442 8.3442 k =-0.2700 0.3575 0.6193 ( 13354 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6375 -12.6375 -12.4331 -12.4331 -12.1381 -12.1381 -12.0160 -12.0160 -2.6729 -2.6729 -2.5346 -2.5346 -1.7054 -1.7054 -1.4757 -1.4757 -1.2973 -1.2973 -0.4189 -0.4189 -0.1551 -0.1551 -0.0203 -0.0203 0.3300 0.3300 0.5399 0.5399 0.8507 0.8507 0.9995 0.9995 7.1165 7.1165 7.9165 7.9165 8.0479 8.0479 8.3477 8.3477 k =-0.2615 0.3463 0.6333 ( 13344 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6365 -12.6365 -12.4315 -12.4315 -12.1375 -12.1375 -12.0191 -12.0191 -2.6745 -2.6745 -2.5472 -2.5472 -1.7180 -1.7180 -1.4746 -1.4746 -1.2967 -1.2967 -0.4005 -0.4005 -0.1590 -0.1590 -0.0195 -0.0195 0.3372 0.3372 0.5501 0.5501 0.8503 0.8503 1.0017 1.0017 7.1366 7.1366 7.9060 7.9060 8.0377 8.0377 8.3519 8.3519 k =-0.2530 0.3350 0.6473 ( 13344 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6352 -12.6352 -12.4297 -12.4297 -12.1368 -12.1368 -12.0226 -12.0226 -2.6765 -2.6765 -2.5612 -2.5612 -1.7302 -1.7302 -1.4787 -1.4787 -1.2917 -1.2917 -0.3809 -0.3809 -0.1634 -0.1634 -0.0186 -0.0186 0.3455 0.3455 0.5613 0.5613 0.8500 0.8500 1.0044 1.0044 7.1589 7.1589 7.8943 7.8943 8.0282 8.0282 8.3568 8.3568 k =-0.2445 0.3238 0.6613 ( 13347 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6340 -12.6340 -12.4276 -12.4276 -12.1360 -12.1360 -12.0264 -12.0264 -2.6787 -2.6787 -2.5763 -2.5763 -1.7419 -1.7419 -1.4878 -1.4878 -1.2825 -1.2825 -0.3604 -0.3604 -0.1683 -0.1683 -0.0175 -0.0175 0.3547 0.3547 0.5733 0.5733 0.8497 0.8497 1.0076 1.0076 7.1829 7.1829 7.8815 7.8815 8.0202 8.0202 8.3623 8.3623 k =-0.2360 0.3125 0.6754 ( 13357 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6326 -12.6326 -12.4254 -12.4254 -12.1351 -12.1351 -12.0306 -12.0306 -2.6812 -2.6812 -2.5924 -2.5924 -1.7530 -1.7530 -1.5006 -1.5006 -1.2700 -1.2700 -0.3398 -0.3398 -0.1737 -0.1737 -0.0161 -0.0161 0.3647 0.3647 0.5858 0.5858 0.8495 0.8495 1.0114 1.0114 7.2083 7.2083 7.8677 7.8677 8.0144 8.0144 8.3685 8.3685 k =-0.2275 0.3013 0.6894 ( 13357 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6312 -12.6312 -12.4230 -12.4230 -12.1341 -12.1341 -12.0351 -12.0351 -2.6840 -2.6840 -2.6092 -2.6092 -1.7635 -1.7635 -1.5161 -1.5161 -1.2552 -1.2552 -0.3196 -0.3196 -0.1793 -0.1793 -0.0142 -0.0142 0.3756 0.3756 0.5984 0.5984 0.8495 0.8495 1.0157 1.0157 7.2346 7.2346 7.8529 7.8529 8.0114 8.0114 8.3757 8.3757 k =-0.2190 0.2900 0.7034 ( 13355 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6298 -12.6298 -12.4204 -12.4204 -12.1329 -12.1329 -12.0399 -12.0399 -2.6871 -2.6871 -2.6265 -2.6265 -1.7732 -1.7732 -1.5331 -1.5331 -1.2390 -1.2390 -0.3008 -0.3008 -0.1847 -0.1847 -0.0114 -0.0114 0.3871 0.3871 0.6108 0.6108 0.8498 0.8498 1.0206 1.0206 7.2612 7.2612 7.8373 7.8373 8.0120 8.0120 8.3836 8.3836 k =-0.2105 0.2788 0.7175 ( 13360 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6284 -12.6284 -12.4178 -12.4178 -12.1316 -12.1316 -12.0448 -12.0448 -2.6905 -2.6905 -2.6442 -2.6442 -1.7824 -1.7824 -1.5509 -1.5509 -1.2219 -1.2219 -0.2848 -0.2848 -0.1887 -0.1887 -0.0077 -0.0077 0.3993 0.3993 0.6226 0.6226 0.8505 0.8505 1.0261 1.0261 7.2878 7.2878 7.8210 7.8210 8.0167 8.0167 8.3925 8.3925 k =-0.2020 0.2675 0.7315 ( 13360 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6270 -12.6270 -12.4150 -12.4150 -12.1302 -12.1302 -12.0499 -12.0499 -2.6943 -2.6943 -2.6620 -2.6620 -1.7908 -1.7908 -1.5688 -1.5688 -1.2046 -1.2046 -0.2741 -0.2741 -0.1894 -0.1894 -0.0027 -0.0027 0.4119 0.4119 0.6335 0.6335 0.8515 0.8515 1.0320 1.0320 7.3138 7.3138 7.8044 7.8044 8.0260 8.0260 8.4022 8.4022 k =-0.1935 0.2563 0.7455 ( 13366 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6258 -12.6258 -12.4121 -12.4121 -12.1287 -12.1287 -12.0552 -12.0552 -2.6986 -2.6986 -2.6795 -2.6795 -1.7986 -1.7986 -1.5863 -1.5863 -1.1872 -1.1872 -0.2707 -0.2707 -0.1850 -0.1850 0.0037 0.0037 0.4251 0.4251 0.6432 0.6432 0.8531 0.8531 1.0384 1.0384 7.3391 7.3391 7.7875 7.7875 8.0402 8.0402 8.4124 8.4124 k =-0.1850 0.2450 0.7596 ( 13360 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6247 -12.6247 -12.4091 -12.4091 -12.1269 -12.1269 -12.0604 -12.0604 -2.7044 -2.7044 -2.6955 -2.6955 -1.8057 -1.8057 -1.6031 -1.6031 -1.1701 -1.1701 -0.2746 -0.2746 -0.1756 -0.1756 0.0116 0.0116 0.4387 0.4387 0.6514 0.6514 0.8551 0.8551 1.0450 1.0450 7.3633 7.3633 7.7706 7.7706 8.0595 8.0595 8.4230 8.4230 k =-0.1765 0.2338 0.7736 ( 13356 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6237 -12.6237 -12.4061 -12.4061 -12.1251 -12.1251 -12.0657 -12.0657 -2.7169 -2.7169 -2.7048 -2.7048 -1.8122 -1.8122 -1.6189 -1.6189 -1.1533 -1.1533 -0.2837 -0.2837 -0.1633 -0.1633 0.0208 0.0208 0.4527 0.4527 0.6580 0.6580 0.8575 0.8575 1.0519 1.0519 7.3866 7.3866 7.7541 7.7541 8.0837 8.0837 8.4336 8.4336 k =-0.1680 0.2225 0.7876 ( 13344 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6230 -12.6230 -12.4031 -12.4031 -12.1231 -12.1231 -12.0709 -12.0709 -2.7329 -2.7329 -2.7103 -2.7103 -1.8180 -1.8180 -1.6335 -1.6335 -1.1371 -1.1371 -0.2963 -0.2963 -0.1500 -0.1500 0.0314 0.0314 0.4671 0.4671 0.6628 0.6628 0.8601 0.8601 1.0589 1.0589 7.4090 7.4090 7.7382 7.7382 8.1125 8.1125 8.4433 8.4433 k =-0.1596 0.2113 0.8016 ( 13356 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6225 -12.6225 -12.4001 -12.4001 -12.1209 -12.1209 -12.0760 -12.0760 -2.7489 -2.7489 -2.7154 -2.7154 -1.8232 -1.8232 -1.6468 -1.6468 -1.1215 -1.1215 -0.3109 -0.3109 -0.1368 -0.1368 0.0431 0.0431 0.4819 0.4819 0.6661 0.6661 0.8627 0.8627 1.0659 1.0659 7.4307 7.4307 7.7232 7.7232 8.1453 8.1453 8.4517 8.4517 k =-0.1511 0.2000 0.8157 ( 13358 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6223 -12.6223 -12.3972 -12.3972 -12.1185 -12.1185 -12.0809 -12.0809 -2.7643 -2.7643 -2.7206 -2.7206 -1.8276 -1.8276 -1.6586 -1.6586 -1.1066 -1.1066 -0.3270 -0.3270 -0.1241 -0.1241 0.0555 0.0555 0.4972 0.4972 0.6678 0.6678 0.8650 0.8650 1.0726 1.0726 7.4523 7.4523 7.7093 7.7093 8.1816 8.1816 8.4577 8.4577 k =-0.1426 0.1888 0.8297 ( 13350 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6225 -12.6225 -12.3943 -12.3943 -12.1159 -12.1159 -12.0856 -12.0856 -2.7789 -2.7789 -2.7259 -2.7259 -1.8313 -1.8313 -1.6689 -1.6689 -1.0925 -1.0925 -0.3441 -0.3441 -0.1120 -0.1120 0.0683 0.0683 0.5128 0.5128 0.6682 0.6682 0.8666 0.8666 1.0788 1.0788 7.4740 7.4740 7.6969 7.6969 8.2202 8.2202 8.4607 8.4607 k =-0.1426 0.1888 0.8297 ( 13350 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6225 -12.6225 -12.3943 -12.3943 -12.1159 -12.1159 -12.0856 -12.0856 -2.7789 -2.7789 -2.7259 -2.7259 -1.8313 -1.8313 -1.6689 -1.6689 -1.0925 -1.0925 -0.3441 -0.3441 -0.1120 -0.1120 0.0683 0.0683 0.5128 0.5128 0.6682 0.6682 0.8666 0.8666 1.0788 1.0788 7.4740 7.4740 7.6969 7.6969 8.2202 8.2202 8.4607 8.4607 k =-0.1307 0.1731 0.8297 ( 13350 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6130 -12.6130 -12.4039 -12.4039 -12.1137 -12.1137 -12.0871 -12.0871 -2.7935 -2.7935 -2.7407 -2.7407 -1.8328 -1.8328 -1.6918 -1.6918 -1.0591 -1.0591 -0.3532 -0.3532 -0.1017 -0.1017 0.0639 0.0639 0.5415 0.5415 0.6813 0.6813 0.8686 0.8686 1.0817 1.0817 7.4778 7.4778 7.6742 7.6742 8.2735 8.2735 8.4698 8.4698 k =-0.1188 0.1573 0.8297 ( 13349 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6036 -12.6036 -12.4135 -12.4135 -12.1116 -12.1116 -12.0885 -12.0885 -2.8069 -2.8069 -2.7554 -2.7554 -1.8348 -1.8348 -1.7128 -1.7128 -1.0235 -1.0235 -0.3656 -0.3656 -0.0912 -0.0912 0.0593 0.0593 0.5693 0.5693 0.6941 0.6941 0.8715 0.8715 1.0832 1.0832 7.4799 7.4799 7.6507 7.6507 8.3301 8.3301 8.4555 8.4555 k =-0.1069 0.1416 0.8297 ( 13337 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.5941 -12.5941 -12.4232 -12.4232 -12.1096 -12.1096 -12.0898 -12.0898 -2.8191 -2.8191 -2.7697 -2.7697 -1.8369 -1.8369 -1.7321 -1.7321 -0.9862 -0.9862 -0.3812 -0.3812 -0.0808 -0.0808 0.0546 0.0546 0.5952 0.5952 0.7062 0.7062 0.8757 0.8757 1.0832 1.0832 7.4808 7.4808 7.6273 7.6273 8.3873 8.3873 8.4275 8.4275 k =-0.0950 0.1259 0.8297 ( 13345 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.5846 -12.5846 -12.4328 -12.4328 -12.1078 -12.1078 -12.0910 -12.0910 -2.8298 -2.8298 -2.7834 -2.7834 -1.8390 -1.8390 -1.7497 -1.7497 -0.9477 -0.9477 -0.3998 -0.3998 -0.0704 -0.0704 0.0499 0.0499 0.6190 0.6190 0.7173 0.7173 0.8819 0.8819 1.0816 1.0816 7.4810 7.4810 7.6049 7.6049 8.3934 8.3934 8.4245 8.4245 k =-0.0832 0.1101 0.8297 ( 13347 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.5752 -12.5752 -12.4424 -12.4424 -12.1062 -12.1062 -12.0920 -12.0920 -2.8390 -2.8390 -2.7965 -2.7965 -1.8408 -1.8408 -1.7655 -1.7655 -0.9083 -0.9083 -0.4214 -0.4214 -0.0601 -0.0601 0.0451 0.0451 0.6402 0.6402 0.7268 0.7268 0.8905 0.8905 1.0783 1.0783 7.4808 7.4808 7.5840 7.5840 8.3598 8.3598 8.3970 8.3970 k =-0.0713 0.0944 0.8297 ( 13358 PWs) bands (ev): -98.1242 -98.1242 -98.1241 -98.1241 -12.5657 -12.5657 -12.4520 -12.4520 -12.1047 -12.1047 -12.0930 -12.0930 -2.8467 -2.8467 -2.8087 -2.8087 -1.8421 -1.8421 -1.7797 -1.7797 -0.8685 -0.8685 -0.4456 -0.4456 -0.0500 -0.0500 0.0402 0.0402 0.6588 0.6588 0.7342 0.7342 0.9018 0.9018 1.0732 1.0732 7.4807 7.4807 7.5649 7.5649 8.3280 8.3280 8.3594 8.3594 k =-0.0594 0.0787 0.8297 ( 13356 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5562 -12.5562 -12.4615 -12.4615 -12.1033 -12.1033 -12.0939 -12.0939 -2.8526 -2.8526 -2.8199 -2.8199 -1.8428 -1.8428 -1.7922 -1.7922 -0.8285 -0.8285 -0.4723 -0.4723 -0.0401 -0.0401 0.0350 0.0350 0.6750 0.6750 0.7390 0.7390 0.9158 0.9158 1.0661 1.0661 7.4808 7.4808 7.5479 7.5479 8.2996 8.2996 8.3248 8.3248 k =-0.0475 0.0629 0.8297 ( 13351 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5468 -12.5468 -12.4711 -12.4711 -12.1021 -12.1021 -12.0948 -12.0948 -2.8568 -2.8568 -2.8300 -2.8300 -1.8428 -1.8428 -1.8032 -1.8032 -0.7886 -0.7886 -0.5012 -0.5012 -0.0306 -0.0306 0.0295 0.0295 0.6890 0.6890 0.7411 0.7411 0.9319 0.9319 1.0571 1.0571 7.4816 7.4816 7.5331 7.5331 8.2757 8.2757 8.2949 8.2949 k =-0.0356 0.0472 0.8297 ( 13357 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5374 -12.5374 -12.4806 -12.4806 -12.1010 -12.1010 -12.0956 -12.0956 -2.8593 -2.8593 -2.8388 -2.8388 -1.8419 -1.8419 -1.8127 -1.8127 -0.7491 -0.7491 -0.5321 -0.5321 -0.0215 -0.0215 0.0236 0.0236 0.7011 0.7011 0.7409 0.7409 0.9495 0.9495 1.0461 1.0461 7.4831 7.4831 7.5204 7.5204 8.2567 8.2567 8.2707 8.2707 k =-0.0238 0.0315 0.8297 ( 13368 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5279 -12.5279 -12.4901 -12.4901 -12.0999 -12.0999 -12.0964 -12.0964 -2.8601 -2.8601 -2.8462 -2.8462 -1.8399 -1.8399 -1.8208 -1.8208 -0.7102 -0.7102 -0.5649 -0.5649 -0.0128 -0.0128 0.0173 0.0173 0.7116 0.7116 0.7384 0.7384 0.9676 0.9676 1.0333 1.0333 7.4856 7.4856 7.5098 7.5098 8.2435 8.2435 8.2525 8.2525 k =-0.0119 0.0157 0.8297 ( 13366 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5185 -12.5185 -12.4995 -12.4995 -12.0990 -12.0990 -12.0972 -12.0972 -2.8591 -2.8591 -2.8521 -2.8521 -1.8370 -1.8370 -1.8274 -1.8274 -0.6721 -0.6721 -0.5993 -0.5993 -0.0045 -0.0045 0.0105 0.0105 0.7206 0.7206 0.7341 0.7341 0.9855 0.9855 1.0188 1.0188 7.4894 7.4894 7.5013 7.5013 8.2362 8.2362 8.2406 8.2406 k = 0.0000 0.0000 0.8297 ( 13366 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8564 -2.8564 -2.8564 -2.8564 -1.8328 -1.8328 -1.8328 -1.8328 -0.6351 -0.6351 -0.6351 -0.6351 0.0032 0.0032 0.0032 0.0032 0.7281 0.7281 0.7281 0.7281 1.0027 1.0027 1.0027 1.0027 7.4945 7.4945 7.4945 7.4945 8.2352 8.2352 8.2352 8.2352 k = 0.0000 0.0000 0.8297 ( 13366 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8564 -2.8564 -2.8564 -2.8564 -1.8328 -1.8328 -1.8328 -1.8328 -0.6351 -0.6351 -0.6351 -0.6351 0.0032 0.0032 0.0032 0.0032 0.7281 0.7281 0.7281 0.7281 1.0027 1.0027 1.0027 1.0027 7.4945 7.4945 7.4945 7.4945 8.2352 8.2352 8.2352 8.2352 k = 0.0156 0.0118 0.8297 ( 13366 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8561 -2.8561 -2.8560 -2.8560 -1.8340 -1.8340 -1.8339 -1.8339 -0.6347 -0.6347 -0.6334 -0.6334 0.0022 0.0022 0.0052 0.0052 0.7255 0.7255 0.7305 0.7305 1.0005 1.0005 1.0037 1.0037 7.4958 7.4958 7.4962 7.4962 8.2331 8.2331 8.2343 8.2343 k = 0.0312 0.0236 0.8297 ( 13374 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8550 -2.8550 -2.8550 -2.8550 -1.8374 -1.8374 -1.8371 -1.8371 -0.6323 -0.6323 -0.6298 -0.6298 0.0021 0.0021 0.0080 0.0080 0.7227 0.7227 0.7326 0.7326 0.9969 0.9969 1.0032 1.0032 7.5000 7.5000 7.5009 7.5009 8.2282 8.2282 8.2306 8.2306 k = 0.0469 0.0354 0.8297 ( 13374 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8533 -2.8533 -2.8533 -2.8533 -1.8428 -1.8428 -1.8424 -1.8424 -0.6280 -0.6280 -0.6243 -0.6243 0.0029 0.0029 0.0116 0.0116 0.7198 0.7198 0.7345 0.7345 0.9922 0.9922 1.0015 1.0015 7.5072 7.5072 7.5084 7.5084 8.2203 8.2203 8.2238 8.2238 k = 0.0625 0.0472 0.8297 ( 13362 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8510 -2.8510 -2.8509 -2.8509 -1.8501 -1.8501 -1.8495 -1.8495 -0.6220 -0.6220 -0.6173 -0.6173 0.0046 0.0046 0.0159 0.0159 0.7168 0.7168 0.7359 0.7359 0.9864 0.9864 0.9985 0.9985 7.5172 7.5172 7.5188 7.5188 8.2096 8.2096 8.2139 8.2139 k = 0.0781 0.0590 0.8297 ( 13366 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8482 -2.8482 -2.8481 -2.8481 -1.8588 -1.8588 -1.8581 -1.8581 -0.6147 -0.6147 -0.6091 -0.6091 0.0073 0.0073 0.0208 0.0208 0.7139 0.7139 0.7369 0.7369 0.9797 0.9797 0.9945 0.9945 7.5300 7.5300 7.5320 7.5320 8.1960 8.1960 8.2008 8.2008 k = 0.0938 0.0708 0.8297 ( 13358 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8449 -2.8449 -2.8448 -2.8448 -1.8687 -1.8687 -1.8679 -1.8679 -0.6063 -0.6063 -0.6000 -0.6000 0.0109 0.0109 0.0261 0.0261 0.7110 0.7110 0.7374 0.7374 0.9725 0.9725 0.9894 0.9894 7.5455 7.5455 7.5477 7.5477 8.1795 8.1795 8.1845 8.1845 k = 0.1094 0.0826 0.8297 ( 13364 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8413 -2.8413 -2.8412 -2.8412 -1.8793 -1.8793 -1.8785 -1.8785 -0.5972 -0.5972 -0.5904 -0.5904 0.0153 0.0153 0.0318 0.0318 0.7083 0.7083 0.7373 0.7373 0.9649 0.9649 0.9836 0.9836 7.5634 7.5634 7.5659 7.5659 8.1602 8.1602 8.1651 8.1651 k = 0.1250 0.0944 0.8297 ( 13362 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8375 -2.8375 -2.8374 -2.8374 -1.8902 -1.8902 -1.8894 -1.8894 -0.5879 -0.5879 -0.5809 -0.5809 0.0204 0.0204 0.0377 0.0377 0.7059 0.7059 0.7366 0.7366 0.9574 0.9574 0.9773 0.9773 7.5836 7.5836 7.5863 7.5863 8.1383 8.1383 8.1429 8.1429 k = 0.1406 0.1062 0.8297 ( 13358 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0981 -12.0981 -12.0981 -12.0981 -2.8336 -2.8336 -2.8335 -2.8335 -1.9011 -1.9011 -1.9003 -1.9003 -0.5785 -0.5785 -0.5716 -0.5716 0.0260 0.0260 0.0434 0.0434 0.7038 0.7038 0.7351 0.7351 0.9502 0.9502 0.9705 0.9705 7.6057 7.6057 7.6086 7.6086 8.1141 8.1141 8.1181 8.1181 k = 0.1562 0.1180 0.8297 ( 13354 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5090 -12.5090 -12.5090 -12.5090 -12.0982 -12.0982 -12.0982 -12.0982 -2.8298 -2.8298 -2.8297 -2.8297 -1.9115 -1.9115 -1.9108 -1.9108 -0.5696 -0.5696 -0.5630 -0.5630 0.0320 0.0320 0.0488 0.0488 0.7023 0.7023 0.7329 0.7329 0.9438 0.9438 0.9637 0.9637 7.6295 7.6295 7.6324 7.6324 8.0881 8.0881 8.0915 8.0915 k = 0.1719 0.1298 0.8297 ( 13364 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8263 -2.8263 -2.8262 -2.8262 -1.9210 -1.9210 -1.9204 -1.9204 -0.5614 -0.5614 -0.5554 -0.5554 0.0381 0.0381 0.0535 0.0535 0.7015 0.7015 0.7299 0.7299 0.9383 0.9383 0.9569 0.9569 7.6543 7.6543 7.6571 7.6571 8.0611 8.0611 8.0637 8.0637 k = 0.1875 0.1416 0.8297 ( 13360 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8232 -2.8232 -2.8231 -2.8231 -1.9293 -1.9293 -1.9287 -1.9287 -0.5541 -0.5541 -0.5490 -0.5490 0.0440 0.0440 0.0574 0.0574 0.7014 0.7014 0.7263 0.7263 0.9342 0.9342 0.9505 0.9505 7.6794 7.6794 7.6820 7.6820 8.0340 8.0340 8.0358 8.0358 k = 0.2031 0.1534 0.8297 ( 13354 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8205 -2.8205 -2.8205 -2.8205 -1.9360 -1.9360 -1.9356 -1.9356 -0.5481 -0.5481 -0.5440 -0.5440 0.0495 0.0495 0.0603 0.0603 0.7022 0.7022 0.7222 0.7222 0.9315 0.9315 0.9446 0.9446 7.7036 7.7036 7.7058 7.7058 8.0081 8.0081 8.0092 8.0092 k = 0.2188 0.1652 0.8297 ( 13348 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8186 -2.8186 -2.8185 -2.8185 -1.9410 -1.9410 -1.9408 -1.9408 -0.5434 -0.5434 -0.5406 -0.5406 0.0543 0.0543 0.0618 0.0618 0.7039 0.7039 0.7179 0.7179 0.9303 0.9303 0.9395 0.9395 7.7248 7.7248 7.7265 7.7265 7.9857 7.9857 7.9862 7.9862 k = 0.2344 0.1770 0.8297 ( 13348 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8173 -2.8173 -2.8173 -2.8173 -1.9441 -1.9441 -1.9439 -1.9439 -0.5402 -0.5402 -0.5388 -0.5388 0.0581 0.0581 0.0620 0.0620 0.7064 0.7064 0.7137 0.7137 0.9306 0.9306 0.9353 0.9353 7.7402 7.7402 7.7412 7.7412 7.9697 7.9697 7.9699 7.9699 k = 0.2500 0.1888 0.8297 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8169 -2.8169 -2.8169 -2.8169 -1.9451 -1.9451 -1.9451 -1.9451 -0.5387 -0.5387 -0.5387 -0.5387 0.0607 0.0607 0.0607 0.0607 0.7098 0.7098 0.7098 0.7098 0.9323 0.9323 0.9323 0.9323 7.7462 7.7462 7.7462 7.7462 7.9639 7.9639 7.9639 7.9639 k = 0.2500 0.1888 0.8297 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8169 -2.8169 -2.8169 -2.8169 -1.9451 -1.9451 -1.9451 -1.9451 -0.5387 -0.5387 -0.5387 -0.5387 0.0607 0.0607 0.0607 0.0607 0.7098 0.7098 0.7098 0.7098 0.9323 0.9323 0.9323 0.9323 7.7462 7.7462 7.7462 7.7462 7.9639 7.9639 7.9639 7.9639 k = 0.2414 0.2002 0.8155 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5091 -12.5091 -12.5091 -12.5091 -12.0980 -12.0980 -12.0980 -12.0980 -2.8170 -2.8170 -2.8161 -2.8161 -1.9444 -1.9444 -1.9439 -1.9439 -0.5433 -0.5433 -0.5353 -0.5353 0.0577 0.0577 0.0629 0.0629 0.6950 0.6950 0.7214 0.7214 0.9210 0.9210 0.9450 0.9450 7.7426 7.7426 7.7451 7.7451 7.9665 7.9665 7.9706 7.9706 k = 0.2328 0.2116 0.8012 ( 13340 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5097 -12.5097 -12.5097 -12.5097 -12.0975 -12.0975 -12.0975 -12.0975 -2.8164 -2.8164 -2.8145 -2.8145 -1.9421 -1.9421 -1.9410 -1.9410 -0.5492 -0.5492 -0.5332 -0.5332 0.0539 0.0539 0.0643 0.0643 0.6779 0.6779 0.7288 0.7288 0.9120 0.9120 0.9582 0.9582 7.7351 7.7351 7.7395 7.7395 7.9782 7.9782 7.9858 7.9858 k = 0.2241 0.2230 0.7870 ( 13344 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5106 -12.5106 -12.5106 -12.5106 -12.0966 -12.0966 -12.0965 -12.0965 -2.8150 -2.8150 -2.8122 -2.8122 -1.9379 -1.9379 -1.9363 -1.9363 -0.5562 -0.5562 -0.5323 -0.5323 0.0492 0.0492 0.0647 0.0647 0.6591 0.6591 0.7312 0.7312 0.9064 0.9064 0.9715 0.9715 7.7251 7.7251 7.7307 7.7307 7.9975 7.9975 8.0078 8.0078 k = 0.2155 0.2345 0.7728 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5119 -12.5119 -12.5119 -12.5119 -12.0953 -12.0953 -12.0953 -12.0953 -2.8129 -2.8129 -2.8093 -2.8093 -1.9320 -1.9320 -1.9299 -1.9299 -0.5642 -0.5642 -0.5328 -0.5328 0.0438 0.0438 0.0643 0.0643 0.6393 0.6393 0.7281 0.7281 0.9047 0.9047 0.9843 0.9843 7.7142 7.7142 7.7203 7.7203 8.0228 8.0228 8.0352 8.0352 k = 0.2069 0.2459 0.7585 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5135 -12.5135 -12.5134 -12.5134 -12.0937 -12.0937 -12.0937 -12.0937 -2.8100 -2.8100 -2.8056 -2.8056 -1.9245 -1.9245 -1.9220 -1.9220 -0.5734 -0.5734 -0.5346 -0.5346 0.0375 0.0375 0.0629 0.0629 0.6187 0.6187 0.7197 0.7197 0.9065 0.9065 0.9964 0.9964 7.7032 7.7032 7.7093 7.7093 8.0529 8.0529 8.0668 8.0668 k = 0.1983 0.2573 0.7443 ( 13338 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5154 -12.5154 -12.5153 -12.5153 -12.0919 -12.0919 -12.0919 -12.0919 -2.8065 -2.8065 -2.8012 -2.8012 -1.9154 -1.9154 -1.9124 -1.9124 -0.5834 -0.5834 -0.5377 -0.5377 0.0304 0.0304 0.0606 0.0606 0.5977 0.5977 0.7070 0.7070 0.9111 0.9111 1.0075 1.0075 7.6928 7.6928 7.6986 7.6986 8.0866 8.0866 8.1018 8.1018 k = 0.1897 0.2687 0.7300 ( 13336 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5175 -12.5175 -12.5175 -12.5175 -12.0898 -12.0898 -12.0897 -12.0897 -2.8022 -2.8022 -2.7962 -2.7962 -1.9047 -1.9047 -1.9014 -1.9014 -0.5944 -0.5944 -0.5421 -0.5421 0.0225 0.0225 0.0573 0.0573 0.5768 0.5768 0.6913 0.6913 0.9175 0.9175 1.0176 1.0176 7.6834 7.6834 7.6887 7.6887 8.1233 8.1233 8.1395 8.1395 k = 0.1810 0.2801 0.7158 ( 13340 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5199 -12.5199 -12.5199 -12.5199 -12.0874 -12.0874 -12.0874 -12.0874 -2.7973 -2.7973 -2.7906 -2.7906 -1.8927 -1.8927 -1.8891 -1.8891 -0.6061 -0.6061 -0.5478 -0.5478 0.0137 0.0137 0.0530 0.0530 0.5560 0.5560 0.6734 0.6734 0.9247 0.9247 1.0265 1.0265 7.6751 7.6751 7.6798 7.6798 8.1624 8.1624 8.1794 8.1794 k = 0.1724 0.2915 0.7016 ( 13348 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5225 -12.5225 -12.5225 -12.5225 -12.0848 -12.0848 -12.0848 -12.0848 -2.7917 -2.7917 -2.7844 -2.7844 -1.8794 -1.8794 -1.8756 -1.8756 -0.6184 -0.6184 -0.5546 -0.5546 0.0042 0.0042 0.0476 0.0476 0.5358 0.5358 0.6542 0.6542 0.9323 0.9323 1.0342 1.0342 7.6680 7.6680 7.6719 7.6719 8.2034 8.2034 8.2211 8.2211 k = 0.1638 0.3029 0.6873 ( 13346 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5253 -12.5253 -12.5253 -12.5253 -12.0821 -12.0821 -12.0821 -12.0821 -2.7855 -2.7855 -2.7776 -2.7776 -1.8649 -1.8649 -1.8610 -1.8610 -0.6314 -0.6314 -0.5627 -0.5627 -0.0061 -0.0061 0.0412 0.0412 0.5162 0.5162 0.6343 0.6343 0.9397 0.9397 1.0407 1.0407 7.6621 7.6621 7.6652 7.6652 8.2460 8.2460 8.2641 8.2641 k = 0.1552 0.3144 0.6731 ( 13348 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5282 -12.5282 -12.5282 -12.5282 -12.0793 -12.0793 -12.0793 -12.0793 -2.7787 -2.7787 -2.7704 -2.7704 -1.8494 -1.8494 -1.8454 -1.8454 -0.6448 -0.6448 -0.5718 -0.5718 -0.0171 -0.0171 0.0337 0.0337 0.4975 0.4975 0.6140 0.6140 0.9468 0.9468 1.0459 1.0459 7.6572 7.6572 7.6595 7.6595 8.2896 8.2896 8.3082 8.3082 k = 0.1466 0.3258 0.6588 ( 13354 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5312 -12.5312 -12.5311 -12.5311 -12.0764 -12.0764 -12.0763 -12.0763 -2.7714 -2.7714 -2.7627 -2.7627 -1.8331 -1.8331 -1.8291 -1.8291 -0.6584 -0.6584 -0.5820 -0.5820 -0.0287 -0.0287 0.0252 0.0252 0.4799 0.4799 0.5938 0.5938 0.9533 0.9533 1.0500 1.0500 7.6532 7.6532 7.6548 7.6548 8.3340 8.3340 8.3530 8.3530 k = 0.1379 0.3372 0.6446 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5342 -12.5342 -12.5342 -12.5342 -12.0734 -12.0734 -12.0734 -12.0734 -2.7637 -2.7637 -2.7547 -2.7547 -1.8160 -1.8160 -1.8122 -1.8122 -0.6722 -0.6722 -0.5930 -0.5930 -0.0409 -0.0409 0.0158 0.0158 0.4634 0.4634 0.5740 0.5740 0.9593 0.9593 1.0529 1.0529 7.6500 7.6500 7.6509 7.6509 8.3787 8.3787 8.3979 8.3979 k = 0.1293 0.3486 0.6304 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5372 -12.5372 -12.5372 -12.5372 -12.0704 -12.0704 -12.0704 -12.0704 -2.7555 -2.7555 -2.7464 -2.7464 -1.7985 -1.7985 -1.7948 -1.7948 -0.6860 -0.6860 -0.6049 -0.6049 -0.0535 -0.0535 0.0054 0.0054 0.4482 0.4482 0.5546 0.5546 0.9647 0.9647 1.0548 1.0548 7.6475 7.6475 7.6477 7.6477 8.4234 8.4234 8.4426 8.4426 k = 0.1207 0.3600 0.6161 ( 13338 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5403 -12.5403 -12.5402 -12.5402 -12.0674 -12.0674 -12.0674 -12.0674 -2.7471 -2.7471 -2.7378 -2.7378 -1.7808 -1.7808 -1.7773 -1.7773 -0.6997 -0.6997 -0.6175 -0.6175 -0.0663 -0.0663 -0.0059 -0.0059 0.4343 0.4343 0.5358 0.5358 0.9696 0.9696 1.0556 1.0556 7.6450 7.6450 7.6454 7.6454 8.4674 8.4674 8.4868 8.4868 k = 0.1121 0.3714 0.6019 ( 13344 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5432 -12.5432 -12.5432 -12.5432 -12.0645 -12.0645 -12.0645 -12.0645 -2.7385 -2.7385 -2.7292 -2.7292 -1.7629 -1.7629 -1.7597 -1.7597 -0.7130 -0.7130 -0.6307 -0.6307 -0.0791 -0.0791 -0.0178 -0.0178 0.4218 0.4218 0.5179 0.5179 0.9739 0.9739 1.0555 1.0555 7.6427 7.6427 7.6436 7.6436 8.5105 8.5105 8.5298 8.5298 k = 0.1034 0.3829 0.5877 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5461 -12.5461 -12.5461 -12.5461 -12.0617 -12.0617 -12.0617 -12.0617 -2.7297 -2.7297 -2.7206 -2.7206 -1.7452 -1.7452 -1.7424 -1.7424 -0.7257 -0.7257 -0.6442 -0.6442 -0.0918 -0.0918 -0.0304 -0.0304 0.4106 0.4106 0.5008 0.5008 0.9778 0.9778 1.0546 1.0546 7.6407 7.6407 7.6420 7.6420 8.5521 8.5521 8.5713 8.5713 k = 0.0948 0.3943 0.5734 ( 13346 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5489 -12.5489 -12.5488 -12.5488 -12.0590 -12.0590 -12.0590 -12.0590 -2.7210 -2.7210 -2.7121 -2.7121 -1.7278 -1.7278 -1.7254 -1.7254 -0.7378 -0.7378 -0.6580 -0.6580 -0.1041 -0.1041 -0.0434 -0.0434 0.4008 0.4008 0.4846 0.4846 0.9813 0.9813 1.0530 1.0530 7.6388 7.6388 7.6405 7.6405 8.5919 8.5919 8.6109 8.6109 k = 0.0862 0.4057 0.5592 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5515 -12.5515 -12.5514 -12.5514 -12.0564 -12.0564 -12.0564 -12.0564 -2.7123 -2.7123 -2.7038 -2.7038 -1.7110 -1.7110 -1.7090 -1.7090 -0.7489 -0.7489 -0.6720 -0.6720 -0.1159 -0.1159 -0.0567 -0.0567 0.3923 0.3923 0.4694 0.4694 0.9845 0.9845 1.0508 1.0508 7.6371 7.6371 7.6390 7.6390 8.6293 8.6293 8.6483 8.6483 k = 0.0776 0.4171 0.5449 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5539 -12.5539 -12.5539 -12.5539 -12.0540 -12.0540 -12.0540 -12.0540 -2.7039 -2.7039 -2.6958 -2.6958 -1.6950 -1.6950 -1.6934 -1.6934 -0.7589 -0.7589 -0.6858 -0.6858 -0.1268 -0.1268 -0.0701 -0.0701 0.3852 0.3852 0.4552 0.4552 0.9875 0.9875 1.0480 1.0480 7.6355 7.6355 7.6375 7.6375 8.6642 8.6642 8.6832 8.6832 k = 0.0690 0.4285 0.5307 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5562 -12.5562 -12.5561 -12.5561 -12.0518 -12.0518 -12.0518 -12.0518 -2.6959 -2.6959 -2.6883 -2.6883 -1.6801 -1.6801 -1.6789 -1.6789 -0.7677 -0.7677 -0.6994 -0.6994 -0.1367 -0.1367 -0.0834 -0.0834 0.3793 0.3793 0.4421 0.4421 0.9903 0.9903 1.0448 1.0448 7.6340 7.6340 7.6360 7.6360 8.6964 8.6964 8.7154 8.7154 k = 0.0603 0.4399 0.5165 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5582 -12.5582 -12.5582 -12.5582 -12.0499 -12.0499 -12.0498 -12.0498 -2.6883 -2.6883 -2.6815 -2.6815 -1.6663 -1.6663 -1.6655 -1.6655 -0.7750 -0.7750 -0.7126 -0.7126 -0.1454 -0.1454 -0.0964 -0.0964 0.3746 0.3746 0.4300 0.4300 0.9930 0.9930 1.0413 1.0413 7.6325 7.6325 7.6344 7.6344 8.7259 8.7259 8.7447 8.7447 k = 0.0517 0.4514 0.5022 ( 13346 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5600 -12.5600 -12.5600 -12.5600 -12.0481 -12.0481 -12.0481 -12.0481 -2.6814 -2.6814 -2.6753 -2.6753 -1.6540 -1.6540 -1.6535 -1.6535 -0.7808 -0.7808 -0.7252 -0.7252 -0.1527 -0.1527 -0.1088 -0.1088 0.3712 0.3712 0.4189 0.4189 0.9957 0.9957 1.0375 1.0375 7.6311 7.6311 7.6329 7.6329 8.7525 8.7525 8.7709 8.7709 k = 0.0431 0.4628 0.4880 ( 13338 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5615 -12.5615 -12.5615 -12.5615 -12.0466 -12.0466 -12.0466 -12.0466 -2.6752 -2.6752 -2.6700 -2.6700 -1.6433 -1.6433 -1.6431 -1.6431 -0.7850 -0.7850 -0.7370 -0.7370 -0.1584 -0.1584 -0.1204 -0.1204 0.3690 0.3690 0.4089 0.4089 0.9985 0.9985 1.0336 1.0336 7.6299 7.6299 7.6315 7.6315 8.7762 8.7762 8.7936 8.7936 k = 0.0345 0.4742 0.4737 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5628 -12.5628 -12.5628 -12.5628 -12.0453 -12.0453 -12.0453 -12.0453 -2.6699 -2.6699 -2.6656 -2.6656 -1.6344 -1.6344 -1.6343 -1.6343 -0.7875 -0.7875 -0.7480 -0.7480 -0.1624 -0.1624 -0.1311 -0.1311 0.3679 0.3679 0.4000 0.4000 1.0014 1.0014 1.0297 1.0297 7.6289 7.6289 7.6302 7.6302 8.7968 8.7968 8.8126 8.8126 k = 0.0259 0.4856 0.4595 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5638 -12.5638 -12.5638 -12.5638 -12.0443 -12.0443 -12.0443 -12.0443 -2.6655 -2.6655 -2.6622 -2.6622 -1.6274 -1.6274 -1.6274 -1.6274 -0.7882 -0.7882 -0.7579 -0.7579 -0.1647 -0.1647 -0.1407 -0.1407 0.3680 0.3680 0.3921 0.3921 1.0044 1.0044 1.0257 1.0257 7.6280 7.6280 7.6291 7.6291 8.8140 8.8140 8.8272 8.8272 k = 0.0172 0.4970 0.4453 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5646 -12.5646 -12.5646 -12.5646 -12.0436 -12.0436 -12.0436 -12.0436 -2.6621 -2.6621 -2.6599 -2.6599 -1.6223 -1.6223 -1.6223 -1.6223 -0.7871 -0.7871 -0.7666 -0.7666 -0.1651 -0.1651 -0.1488 -0.1488 0.3693 0.3693 0.3854 0.3854 1.0075 1.0075 1.0218 1.0218 7.6275 7.6275 7.6282 7.6282 8.8276 8.8276 8.8371 8.8371 k = 0.0086 0.5084 0.4310 ( 13344 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5650 -12.5650 -12.5650 -12.5650 -12.0432 -12.0432 -12.0432 -12.0432 -2.6598 -2.6598 -2.6587 -2.6587 -1.6192 -1.6192 -1.6192 -1.6192 -0.7844 -0.7844 -0.7740 -0.7740 -0.1637 -0.1637 -0.1555 -0.1555 0.3716 0.3716 0.3797 0.3797 1.0108 1.0108 1.0180 1.0180 7.6272 7.6272 7.6276 7.6276 8.8370 8.8370 8.8421 8.8421 k = 0.0000 0.5198 0.4168 ( 13330 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5651 -12.5651 -12.5651 -12.5651 -12.0430 -12.0430 -12.0430 -12.0430 -2.6587 -2.6587 -2.6587 -2.6587 -1.6182 -1.6182 -1.6182 -1.6182 -0.7800 -0.7800 -0.7800 -0.7800 -0.1605 -0.1605 -0.1605 -0.1605 0.3751 0.3751 0.3751 0.3751 1.0143 1.0143 1.0143 1.0143 7.6272 7.6272 7.6272 7.6272 8.8420 8.8420 8.8420 8.8420 k = 0.0000 0.5198 0.4168 ( 13330 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5651 -12.5651 -12.5651 -12.5651 -12.0430 -12.0430 -12.0430 -12.0430 -2.6587 -2.6587 -2.6587 -2.6587 -1.6182 -1.6182 -1.6182 -1.6182 -0.7800 -0.7800 -0.7800 -0.7800 -0.1605 -0.1605 -0.1605 -0.1605 0.3751 0.3751 0.3751 0.3751 1.0143 1.0143 1.0143 1.0143 7.6272 7.6272 7.6272 7.6272 8.8420 8.8420 8.8420 8.8420 k = 0.0178 0.5251 0.4102 ( 13338 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5695 -12.5695 -12.5606 -12.5606 -12.0483 -12.0483 -12.0381 -12.0381 -2.6672 -2.6672 -2.6491 -2.6491 -1.6271 -1.6271 -1.6090 -1.6090 -0.8149 -0.8149 -0.7462 -0.7462 -0.1710 -0.1710 -0.1486 -0.1486 0.3727 0.3727 0.3772 0.3772 1.0036 1.0036 1.0245 1.0245 7.5829 7.5829 7.6722 7.6722 8.7783 8.7783 8.8902 8.8902 k = 0.0357 0.5304 0.4037 ( 13341 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5736 -12.5736 -12.5557 -12.5557 -12.0539 -12.0539 -12.0335 -12.0335 -2.6747 -2.6747 -2.6388 -2.6388 -1.6358 -1.6358 -1.5995 -1.5995 -0.8508 -0.8508 -0.7140 -0.7140 -0.1799 -0.1799 -0.1357 -0.1357 0.3699 0.3699 0.3790 0.3790 0.9924 0.9924 1.0340 1.0340 7.5393 7.5393 7.7174 7.7174 8.7104 8.7104 8.8990 8.8990 k = 0.0535 0.5357 0.3971 ( 13340 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5774 -12.5774 -12.5505 -12.5505 -12.0597 -12.0597 -12.0292 -12.0292 -2.6812 -2.6812 -2.6277 -2.6277 -1.6440 -1.6440 -1.5900 -1.5900 -0.8875 -0.8875 -0.6835 -0.6835 -0.1869 -0.1869 -0.1221 -0.1221 0.3668 0.3668 0.3805 0.3805 0.9809 0.9809 1.0426 1.0426 7.4967 7.4967 7.7625 7.7625 8.6427 8.6427 8.8647 8.8647 k = 0.0713 0.5409 0.3905 ( 13349 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5811 -12.5811 -12.5450 -12.5450 -12.0657 -12.0657 -12.0253 -12.0253 -2.6865 -2.6865 -2.6161 -2.6161 -1.6518 -1.6518 -1.5803 -1.5803 -0.9246 -0.9246 -0.6551 -0.6551 -0.1918 -0.1918 -0.1081 -0.1081 0.3634 0.3634 0.3821 0.3821 0.9692 0.9692 1.0502 1.0502 7.4553 7.4553 7.8073 7.8073 8.5774 8.5774 8.8104 8.8104 k = 0.0892 0.5462 0.3839 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5847 -12.5847 -12.5393 -12.5393 -12.0719 -12.0719 -12.0218 -12.0218 -2.6907 -2.6907 -2.6041 -2.6041 -1.6589 -1.6589 -1.5705 -1.5705 -0.9620 -0.9620 -0.6290 -0.6290 -0.1942 -0.1942 -0.0941 -0.0941 0.3595 0.3595 0.3838 0.3838 0.9574 0.9574 1.0567 1.0567 7.4152 7.4152 7.8512 7.8512 8.5156 8.5156 8.7484 8.7484 k = 0.1070 0.5515 0.3774 ( 13340 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5881 -12.5881 -12.5332 -12.5332 -12.0783 -12.0783 -12.0187 -12.0187 -2.6937 -2.6937 -2.5919 -2.5919 -1.6653 -1.6653 -1.5606 -1.5606 -0.9994 -0.9994 -0.6055 -0.6055 -0.1942 -0.1942 -0.0804 -0.0804 0.3552 0.3552 0.3860 0.3860 0.9457 0.9457 1.0618 1.0618 7.3766 7.3766 7.8939 7.8939 8.4585 8.4585 8.6830 8.6830 k = 0.1248 0.5567 0.3708 ( 13340 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5915 -12.5915 -12.5267 -12.5267 -12.0847 -12.0847 -12.0159 -12.0159 -2.6956 -2.6956 -2.5796 -2.5796 -1.6708 -1.6708 -1.5506 -1.5506 -1.0365 -1.0365 -0.5846 -0.5846 -0.1916 -0.1916 -0.0674 -0.0674 0.3503 0.3503 0.3890 0.3890 0.9341 0.9341 1.0655 1.0655 7.3396 7.3396 7.9347 7.9347 8.4068 8.4068 8.6162 8.6162 k = 0.1426 0.5620 0.3642 ( 13325 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5949 -12.5949 -12.5200 -12.5200 -12.0911 -12.0911 -12.0135 -12.0135 -2.6965 -2.6965 -2.5675 -2.5675 -1.6754 -1.6754 -1.5407 -1.5407 -1.0730 -1.0730 -0.5665 -0.5665 -0.1866 -0.1866 -0.0555 -0.0555 0.3450 0.3450 0.3931 0.3931 0.9228 0.9228 1.0676 1.0676 7.3044 7.3044 7.9729 7.9729 8.3612 8.3612 8.5489 8.5489 k = 0.1605 0.5673 0.3577 ( 13331 PWs) bands (ev): -98.1242 -98.1242 -98.1241 -98.1241 -12.5983 -12.5983 -12.5130 -12.5130 -12.0975 -12.0975 -12.0115 -12.0115 -2.6963 -2.6963 -2.5558 -2.5558 -1.6788 -1.6788 -1.5309 -1.5309 -1.1086 -1.1086 -0.5510 -0.5510 -0.1796 -0.1796 -0.0449 -0.0449 0.3391 0.3391 0.3987 0.3987 0.9119 0.9119 1.0681 1.0681 7.2709 7.2709 8.0078 8.0078 8.3224 8.3224 8.4818 8.4818 k = 0.1783 0.5725 0.3511 ( 13328 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6018 -12.6018 -12.5056 -12.5056 -12.1037 -12.1037 -12.0098 -12.0098 -2.6953 -2.6953 -2.5447 -2.5447 -1.6810 -1.6810 -1.5215 -1.5215 -1.1428 -1.1428 -0.5380 -0.5380 -0.1710 -0.1710 -0.0359 -0.0359 0.3329 0.3329 0.4059 0.4059 0.9015 0.9015 1.0668 1.0668 7.2393 7.2393 8.0383 8.0383 8.2913 8.2913 8.4154 8.4154 k = 0.1961 0.5778 0.3445 ( 13320 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6055 -12.6055 -12.4980 -12.4980 -12.1097 -12.1097 -12.0084 -12.0084 -2.6934 -2.6934 -2.5344 -2.5344 -1.6818 -1.6818 -1.5127 -1.5127 -1.1751 -1.1751 -0.5270 -0.5270 -0.1616 -0.1616 -0.0287 -0.0287 0.3266 0.3266 0.4148 0.4148 0.8918 0.8918 1.0637 1.0637 7.2097 7.2097 8.0630 8.0630 8.2689 8.2689 8.3503 8.3503 k = 0.2140 0.5831 0.3379 ( 13344 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6094 -12.6094 -12.4901 -12.4901 -12.1154 -12.1154 -12.0074 -12.0074 -2.6909 -2.6909 -2.5251 -2.5251 -1.6811 -1.6811 -1.5050 -1.5050 -1.2048 -1.2048 -0.5177 -0.5177 -0.1522 -0.1522 -0.0234 -0.0234 0.3205 0.3205 0.4254 0.4254 0.8828 0.8828 1.0587 1.0587 7.1820 7.1820 8.0805 8.0805 8.2555 8.2555 8.2877 8.2877 k = 0.2318 0.5883 0.3314 ( 13337 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6136 -12.6136 -12.4819 -12.4819 -12.1208 -12.1208 -12.0067 -12.0067 -2.6877 -2.6877 -2.5170 -2.5170 -1.6788 -1.6788 -1.4991 -1.4991 -1.2308 -1.2308 -0.5097 -0.5097 -0.1438 -0.1438 -0.0198 -0.0198 0.3150 0.3150 0.4375 0.4375 0.8747 0.8747 1.0519 1.0519 7.1562 7.1562 8.0903 8.0903 8.2211 8.2211 8.2582 8.2582 k = 0.2496 0.5936 0.3248 ( 13333 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6181 -12.6181 -12.4735 -12.4735 -12.1258 -12.1258 -12.0063 -12.0063 -2.6842 -2.6842 -2.5101 -2.5101 -1.6750 -1.6750 -1.4961 -1.4961 -1.2520 -1.2520 -0.5026 -0.5026 -0.1373 -0.1373 -0.0179 -0.0179 0.3105 0.3105 0.4509 0.4509 0.8676 0.8676 1.0433 1.0433 7.1325 7.1325 8.0935 8.0935 8.1625 8.1625 8.2639 8.2639 k = 0.2675 0.5989 0.3182 ( 13338 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6230 -12.6230 -12.4649 -12.4649 -12.1302 -12.1302 -12.0061 -12.0061 -2.6803 -2.6803 -2.5047 -2.5047 -1.6696 -1.6696 -1.4967 -1.4967 -1.2673 -1.2673 -0.4961 -0.4961 -0.1336 -0.1336 -0.0175 -0.0175 0.3074 0.3074 0.4652 0.4652 0.8617 0.8617 1.0330 1.0330 7.1108 7.1108 8.0893 8.0893 8.1089 8.1089 8.2767 8.2767 k = 0.2853 0.6041 0.3117 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6284 -12.6284 -12.4560 -12.4560 -12.1340 -12.1340 -12.0062 -12.0062 -2.6763 -2.6763 -2.5007 -2.5007 -1.6630 -1.6630 -1.5014 -1.5014 -1.2759 -1.2759 -0.4898 -0.4898 -0.1333 -0.1333 -0.0184 -0.0184 0.3062 0.3062 0.4799 0.4799 0.8570 0.8570 1.0212 1.0212 7.0910 7.0910 8.0469 8.0469 8.0945 8.0945 8.2936 8.2936 k = 0.3031 0.6094 0.3051 ( 13338 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6343 -12.6343 -12.4470 -12.4470 -12.1372 -12.1372 -12.0066 -12.0066 -2.6723 -2.6723 -2.4982 -2.4982 -1.6557 -1.6557 -1.5095 -1.5095 -1.2779 -1.2779 -0.4836 -0.4836 -0.1368 -0.1368 -0.0204 -0.0204 0.3070 0.3070 0.4948 0.4948 0.8538 0.8538 1.0081 1.0081 7.0731 7.0731 7.9957 7.9957 8.0910 8.0910 8.3133 8.3133 k = 0.3209 0.6147 0.2985 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6408 -12.6408 -12.4377 -12.4377 -12.1397 -12.1397 -12.0071 -12.0071 -2.6683 -2.6683 -2.4973 -2.4973 -1.6487 -1.6487 -1.5190 -1.5190 -1.2743 -1.2743 -0.4773 -0.4773 -0.1442 -0.1442 -0.0236 -0.0236 0.3099 0.3099 0.5092 0.5092 0.8519 0.8519 0.9942 0.9942 7.0571 7.0571 7.9475 7.9475 8.0872 8.0872 8.3356 8.3356 k = 0.3209 0.6147 0.2985 ( 13343 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6408 -12.6408 -12.4377 -12.4377 -12.1397 -12.1397 -12.0071 -12.0071 -2.6683 -2.6683 -2.4973 -2.4973 -1.6487 -1.6487 -1.5190 -1.5190 -1.2743 -1.2743 -0.4773 -0.4773 -0.1442 -0.1442 -0.0236 -0.0236 0.3099 0.3099 0.5092 0.5092 0.8519 0.8519 0.9942 0.9942 7.0571 7.0571 7.9475 7.9475 8.0872 8.0872 8.3356 8.3356 k = 0.3295 0.6034 0.2843 ( 13339 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6551 -12.6551 -12.4179 -12.4179 -12.1442 -12.1442 -12.0084 -12.0084 -2.6599 -2.6599 -2.4978 -2.4978 -1.6444 -1.6444 -1.5285 -1.5285 -1.2587 -1.2587 -0.4645 -0.4645 -0.1642 -0.1642 -0.0321 -0.0321 0.3184 0.3184 0.5394 0.5394 0.8489 0.8489 0.9623 0.9623 7.0266 7.0266 7.8490 7.8490 8.0757 8.0757 8.3869 8.3869 k = 0.3380 0.5921 0.2701 ( 13321 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6690 -12.6690 -12.3984 -12.3984 -12.1486 -12.1486 -12.0097 -12.0097 -2.6517 -2.6517 -2.5001 -2.5001 -1.6601 -1.6601 -1.5147 -1.5147 -1.2391 -1.2391 -0.4533 -0.4533 -0.1840 -0.1840 -0.0418 -0.0418 0.3267 0.3267 0.5679 0.5679 0.8453 0.8453 0.9290 0.9290 7.0005 7.0005 7.7548 7.7548 8.0597 8.0597 8.4386 8.4386 k = 0.3465 0.5808 0.2559 ( 13325 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6823 -12.6823 -12.3795 -12.3795 -12.1529 -12.1529 -12.0110 -12.0110 -2.6435 -2.6435 -2.5042 -2.5042 -1.6863 -1.6863 -1.4858 -1.4858 -1.2165 -1.2165 -0.4435 -0.4435 -0.2034 -0.2034 -0.0524 -0.0524 0.3348 0.3348 0.5935 0.5935 0.8400 0.8400 0.8967 0.8967 6.9789 6.9789 7.6650 7.6650 8.0395 8.0395 8.4896 8.4896 k = 0.3551 0.5695 0.2417 ( 13309 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6952 -12.6952 -12.3611 -12.3611 -12.1571 -12.1571 -12.0123 -12.0123 -2.6356 -2.6356 -2.5101 -2.5101 -1.7149 -1.7149 -1.4495 -1.4495 -1.1918 -1.1918 -0.4348 -0.4348 -0.2224 -0.2224 -0.0639 -0.0639 0.3421 0.3421 0.6142 0.6142 0.8300 0.8300 0.8705 0.8705 6.9619 6.9619 7.5800 7.5800 8.0159 8.0159 8.5387 8.5387 k = 0.3636 0.5582 0.2274 ( 13307 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7074 -12.7074 -12.3433 -12.3433 -12.1611 -12.1611 -12.0136 -12.0136 -2.6279 -2.6279 -2.5178 -2.5178 -1.7424 -1.7424 -1.4090 -1.4090 -1.1652 -1.1652 -0.4271 -0.4271 -0.2410 -0.2410 -0.0762 -0.0762 0.3485 0.3485 0.6261 0.6261 0.8128 0.8128 0.8568 0.8568 6.9495 6.9495 7.5000 7.5000 7.9898 7.9898 8.5842 8.5842 k = 0.3721 0.5469 0.2132 ( 13319 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7191 -12.7191 -12.3263 -12.3263 -12.1649 -12.1649 -12.0148 -12.0148 -2.6206 -2.6206 -2.5272 -2.5272 -1.7677 -1.7677 -1.3655 -1.3655 -1.1371 -1.1371 -0.4200 -0.4200 -0.2591 -0.2591 -0.0890 -0.0890 0.3533 0.3533 0.6238 0.6238 0.7978 0.7978 0.8522 0.8522 6.9417 6.9417 7.4251 7.4251 7.9620 7.9620 8.6138 8.6138 k = 0.3806 0.5356 0.1990 ( 13307 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7301 -12.7301 -12.3100 -12.3100 -12.1686 -12.1686 -12.0160 -12.0160 -2.6137 -2.6137 -2.5379 -2.5379 -1.7904 -1.7904 -1.3194 -1.3194 -1.1079 -1.1079 -0.4134 -0.4134 -0.2767 -0.2767 -0.1024 -0.1024 0.3561 0.3561 0.6046 0.6046 0.7922 0.7922 0.8526 0.8526 6.9386 6.9386 7.3553 7.3553 7.9334 7.9334 8.5262 8.5262 k = 0.3892 0.5244 0.1848 ( 13297 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7405 -12.7405 -12.2945 -12.2945 -12.1721 -12.1721 -12.0171 -12.0171 -2.6072 -2.6072 -2.5498 -2.5498 -1.8103 -1.8103 -1.2714 -1.2714 -1.0777 -1.0777 -0.4073 -0.4073 -0.2938 -0.2938 -0.1163 -0.1163 0.3560 0.3560 0.5728 0.5728 0.7930 0.7930 0.8577 0.8577 6.9402 6.9402 7.2908 7.2908 7.9047 7.9047 8.4336 8.4336 k = 0.3977 0.5131 0.1706 ( 13295 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7502 -12.7502 -12.2799 -12.2799 -12.1754 -12.1754 -12.0182 -12.0182 -2.6013 -2.6013 -2.5624 -2.5624 -1.8274 -1.8274 -1.2215 -1.2215 -1.0468 -1.0468 -0.4015 -0.4015 -0.3105 -0.3105 -0.1305 -0.1305 0.3512 0.3512 0.5356 0.5356 0.7946 0.7946 0.8680 0.8680 6.9464 6.9464 7.2314 7.2314 7.8765 7.8765 8.3411 8.3411 k = 0.4062 0.5018 0.1564 ( 13297 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7593 -12.7593 -12.2663 -12.2663 -12.1785 -12.1785 -12.0192 -12.0192 -2.5965 -2.5965 -2.5749 -2.5749 -1.8420 -1.8420 -1.1702 -1.1702 -1.0155 -1.0155 -0.3959 -0.3959 -0.3266 -0.3266 -0.1449 -0.1449 0.3390 0.3390 0.4997 0.4997 0.7944 0.7944 0.8823 0.8823 6.9573 6.9573 7.1773 7.1773 7.8493 7.8493 8.2493 8.2493 k = 0.4147 0.4905 0.1421 ( 13305 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7676 -12.7676 -12.2536 -12.2536 -12.1813 -12.1813 -12.0201 -12.0201 -2.5963 -2.5963 -2.5835 -2.5835 -1.8543 -1.8543 -1.1177 -1.1177 -0.9841 -0.9841 -0.3905 -0.3905 -0.3424 -0.3424 -0.1595 -0.1595 0.3159 0.3159 0.4705 0.4705 0.7927 0.7927 0.8988 0.8988 6.9726 6.9726 7.1284 7.1284 7.8235 7.8235 8.1588 8.1588 k = 0.4233 0.4792 0.1279 ( 13295 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7751 -12.7751 -12.2420 -12.2420 -12.1839 -12.1839 -12.0210 -12.0210 -2.6062 -2.6062 -2.5824 -2.5824 -1.8645 -1.8645 -1.0644 -1.0644 -0.9529 -0.9529 -0.3852 -0.3852 -0.3577 -0.3577 -0.1741 -0.1741 0.2809 0.2809 0.4509 0.4509 0.7899 0.7899 0.9159 0.9159 6.9919 6.9919 7.0851 7.0851 7.7994 7.7994 8.0700 8.0700 k = 0.4318 0.4679 0.1137 ( 13305 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7820 -12.7820 -12.2314 -12.2314 -12.1863 -12.1863 -12.0218 -12.0218 -2.6185 -2.6185 -2.5788 -2.5788 -1.8729 -1.8729 -1.0107 -1.0107 -0.9222 -0.9222 -0.3801 -0.3801 -0.3726 -0.3726 -0.1887 -0.1887 0.2369 0.2369 0.4389 0.4389 0.7866 0.7866 0.9326 0.9326 7.0127 7.0127 7.0499 7.0499 7.7771 7.7771 7.9832 7.9832 k = 0.4403 0.4566 0.0995 ( 13307 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7880 -12.7880 -12.2220 -12.2220 -12.1884 -12.1884 -12.0225 -12.0225 -2.6304 -2.6304 -2.5753 -2.5753 -1.8797 -1.8797 -0.9571 -0.9571 -0.8925 -0.8925 -0.3871 -0.3871 -0.3749 -0.3749 -0.2034 -0.2034 0.1881 0.1881 0.4316 0.4316 0.7831 0.7831 0.9483 0.9483 7.0052 7.0052 7.0524 7.0524 7.7568 7.7568 7.8991 7.8991 k = 0.4488 0.4453 0.0853 ( 13295 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7933 -12.7933 -12.2138 -12.2138 -12.1902 -12.1902 -12.0231 -12.0231 -2.6415 -2.6415 -2.5721 -2.5721 -1.8852 -1.8852 -0.9045 -0.9045 -0.8642 -0.8642 -0.4011 -0.4011 -0.3697 -0.3697 -0.2180 -0.2180 0.1381 0.1381 0.4267 0.4267 0.7798 0.7798 0.9624 0.9624 6.9783 6.9783 7.0834 7.0834 7.7381 7.7381 7.8184 7.8184 k = 0.4574 0.4340 0.0711 ( 13311 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7978 -12.7978 -12.2068 -12.2068 -12.1918 -12.1918 -12.0237 -12.0237 -2.6513 -2.6513 -2.5694 -2.5694 -1.8895 -1.8895 -0.8539 -0.8539 -0.8380 -0.8380 -0.4144 -0.4144 -0.3644 -0.3644 -0.2327 -0.2327 0.0893 0.0893 0.4232 0.4232 0.7767 0.7767 0.9747 0.9747 6.9542 6.9542 7.1204 7.1204 7.7154 7.7154 7.7472 7.7472 k = 0.4659 0.4227 0.0569 ( 13329 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8014 -12.8014 -12.2010 -12.2010 -12.1931 -12.1931 -12.0241 -12.0241 -2.6596 -2.6596 -2.5671 -2.5671 -1.8928 -1.8928 -0.8145 -0.8145 -0.8067 -0.8067 -0.4267 -0.4267 -0.3586 -0.3586 -0.2477 -0.2477 0.0443 0.0443 0.4206 0.4206 0.7741 0.7741 0.9851 0.9851 6.9344 6.9344 7.1617 7.1617 7.6569 7.6569 7.7179 7.7179 k = 0.4744 0.4114 0.0426 ( 13321 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8043 -12.8043 -12.1965 -12.1965 -12.1941 -12.1941 -12.0244 -12.0244 -2.6662 -2.6662 -2.5653 -2.5653 -1.8952 -1.8952 -0.7947 -0.7947 -0.7650 -0.7650 -0.4374 -0.4374 -0.3521 -0.3521 -0.2632 -0.2632 0.0056 0.0056 0.4186 0.4186 0.7720 0.7720 0.9932 0.9932 6.9190 6.9190 7.2066 7.2066 7.5872 7.5872 7.7062 7.7062 k = 0.4829 0.4002 0.0284 ( 13329 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8064 -12.8064 -12.1948 -12.1948 -12.1932 -12.1932 -12.0247 -12.0247 -2.6711 -2.6711 -2.5641 -2.5641 -1.8969 -1.8969 -0.7794 -0.7794 -0.7315 -0.7315 -0.4460 -0.4460 -0.3444 -0.3444 -0.2789 -0.2789 -0.0244 -0.0244 0.4172 0.4172 0.7704 0.7704 0.9992 0.9992 6.9080 6.9080 7.2540 7.2540 7.5214 7.5214 7.6987 7.6987 k = 0.4915 0.3889 0.0142 ( 13341 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8076 -12.8076 -12.1953 -12.1953 -12.1913 -12.1913 -12.0249 -12.0249 -2.6740 -2.6740 -2.5633 -2.5633 -1.8979 -1.8979 -0.7698 -0.7698 -0.7094 -0.7094 -0.4517 -0.4517 -0.3361 -0.3361 -0.2931 -0.2931 -0.0434 -0.0434 0.4164 0.4164 0.7694 0.7694 1.0027 1.0027 6.9014 6.9014 7.2998 7.2998 7.4644 7.4644 7.6943 7.6943 k = 0.5000 0.3776 0.0000 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8080 -12.8080 -12.1954 -12.1954 -12.1906 -12.1906 -12.0249 -12.0249 -2.6750 -2.6750 -2.5631 -2.5631 -1.8982 -1.8982 -0.7665 -0.7665 -0.7016 -0.7016 -0.4536 -0.4536 -0.3313 -0.3313 -0.3001 -0.3001 -0.0498 -0.0498 0.4161 0.4161 0.7691 0.7691 1.0039 1.0039 6.8993 6.8993 7.3249 7.3249 7.4355 7.4355 7.6928 7.6928 k = 0.5000 0.3776 0.0000 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8080 -12.8080 -12.1954 -12.1954 -12.1906 -12.1906 -12.0249 -12.0249 -2.6750 -2.6750 -2.5631 -2.5631 -1.8982 -1.8982 -0.7665 -0.7665 -0.7016 -0.7016 -0.4536 -0.4536 -0.3313 -0.3313 -0.3001 -0.3001 -0.0498 -0.0498 0.4161 0.4161 0.7691 0.7691 1.0039 1.0039 6.8993 6.8993 7.3249 7.3249 7.4355 7.4355 7.6928 7.6928 k = 0.4839 0.3654 0.0000 ( 13322 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8086 -12.8086 -12.1947 -12.1947 -12.1906 -12.1906 -12.0249 -12.0249 -2.6744 -2.6744 -2.5636 -2.5636 -1.8989 -1.8989 -0.7678 -0.7678 -0.7026 -0.7026 -0.4572 -0.4572 -0.3441 -0.3441 -0.2826 -0.2826 -0.0501 -0.0501 0.4175 0.4175 0.7699 0.7699 1.0037 1.0037 6.9021 6.9021 7.3270 7.3270 7.4386 7.4386 7.6896 7.6896 k = 0.4677 0.3532 0.0000 ( 13318 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8103 -12.8103 -12.1927 -12.1927 -12.1905 -12.1905 -12.0248 -12.0248 -2.6727 -2.6727 -2.5653 -2.5653 -1.9011 -1.9011 -0.7717 -0.7717 -0.7053 -0.7053 -0.4677 -0.4677 -0.3607 -0.3607 -0.2523 -0.2523 -0.0509 -0.0509 0.4216 0.4216 0.7723 0.7723 1.0032 1.0032 6.9105 6.9105 7.3333 7.3333 7.4480 7.4480 7.6800 7.6800 k = 0.4516 0.3410 0.0000 ( 13318 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8132 -12.8132 -12.1903 -12.1903 -12.1893 -12.1893 -12.0248 -12.0248 -2.6699 -2.6699 -2.5681 -2.5681 -1.9047 -1.9047 -0.7781 -0.7781 -0.7098 -0.7098 -0.4837 -0.4837 -0.3735 -0.3735 -0.2191 -0.2191 -0.0518 -0.0518 0.4285 0.4285 0.7762 0.7762 1.0022 1.0022 6.9246 6.9246 7.3436 7.3436 7.4635 7.4635 7.6642 7.6642 k = 0.4355 0.3289 0.0000 ( 13318 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8171 -12.8171 -12.1902 -12.1902 -12.1846 -12.1846 -12.0247 -12.0247 -2.6660 -2.6660 -2.5720 -2.5720 -1.9096 -1.9096 -0.7869 -0.7869 -0.7159 -0.7159 -0.5030 -0.5030 -0.3831 -0.3831 -0.1857 -0.1857 -0.0514 -0.0514 0.4381 0.4381 0.7816 0.7816 1.0010 1.0010 6.9441 6.9441 7.3580 7.3580 7.4851 7.4851 7.6426 7.6426 k = 0.4194 0.3167 0.0000 ( 13330 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8219 -12.8219 -12.1899 -12.1899 -12.1788 -12.1788 -12.0245 -12.0245 -2.6610 -2.6610 -2.5770 -2.5770 -1.9158 -1.9158 -0.7981 -0.7981 -0.7234 -0.7234 -0.5236 -0.5236 -0.3909 -0.3909 -0.1556 -0.1556 -0.0473 -0.0473 0.4504 0.4504 0.7884 0.7884 0.9995 0.9995 6.9691 6.9691 7.3762 7.3762 7.5127 7.5127 7.6157 7.6157 k = 0.4032 0.3045 0.0000 ( 13322 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8277 -12.8277 -12.1896 -12.1896 -12.1719 -12.1719 -12.0244 -12.0244 -2.6550 -2.6550 -2.5829 -2.5829 -1.9232 -1.9232 -0.8113 -0.8113 -0.7320 -0.7320 -0.5444 -0.5444 -0.3980 -0.3980 -0.1343 -0.1343 -0.0343 -0.0343 0.4654 0.4654 0.7963 0.7963 0.9979 0.9979 6.9994 6.9994 7.3979 7.3979 7.5456 7.5456 7.5847 7.5847 k = 0.3871 0.2923 0.0000 ( 13326 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8342 -12.8342 -12.1893 -12.1893 -12.1641 -12.1641 -12.0242 -12.0242 -2.6479 -2.6479 -2.5897 -2.5897 -1.9316 -1.9316 -0.8264 -0.8264 -0.7417 -0.7417 -0.5649 -0.5649 -0.4049 -0.4049 -0.1255 -0.1255 -0.0094 -0.0094 0.4831 0.4831 0.8052 0.8052 0.9963 0.9963 7.0348 7.0348 7.4226 7.4226 7.5465 7.5465 7.5876 7.5876 k = 0.3710 0.2801 0.0000 ( 13326 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8413 -12.8413 -12.1889 -12.1889 -12.1554 -12.1554 -12.0240 -12.0240 -2.6399 -2.6399 -2.5973 -2.5973 -1.9411 -1.9411 -0.8431 -0.8431 -0.7520 -0.7520 -0.5846 -0.5846 -0.4120 -0.4120 -0.1263 -0.1263 0.0243 0.0243 0.5034 0.5034 0.8148 0.8148 0.9949 0.9949 7.0752 7.0752 7.4476 7.4476 7.5109 7.5109 7.6318 7.6318 k = 0.3548 0.2680 0.0000 ( 13332 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8490 -12.8490 -12.1885 -12.1885 -12.1461 -12.1461 -12.0237 -12.0237 -2.6311 -2.6311 -2.6056 -2.6056 -1.9513 -1.9513 -0.8612 -0.8612 -0.7629 -0.7629 -0.6036 -0.6036 -0.4192 -0.4192 -0.1324 -0.1324 0.0620 0.0620 0.5264 0.5264 0.8249 0.8249 0.9940 0.9940 7.1203 7.1203 7.4487 7.4487 7.4985 7.4985 7.6820 7.6820 k = 0.3387 0.2558 0.0000 ( 13316 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8570 -12.8570 -12.1880 -12.1880 -12.1363 -12.1363 -12.0235 -12.0235 -2.6225 -2.6225 -2.6134 -2.6134 -1.9622 -1.9622 -0.8804 -0.8804 -0.7740 -0.7740 -0.6217 -0.6217 -0.4268 -0.4268 -0.1415 -0.1415 0.1011 0.1011 0.5521 0.5521 0.8350 0.8350 0.9938 0.9938 7.1698 7.1698 7.4097 7.4097 7.5263 7.5263 7.7375 7.7375 k = 0.3226 0.2436 0.0000 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8654 -12.8654 -12.1875 -12.1875 -12.1260 -12.1260 -12.0232 -12.0232 -2.6259 -2.6259 -2.6089 -2.6089 -1.9738 -1.9738 -0.9006 -0.9006 -0.7853 -0.7853 -0.6392 -0.6392 -0.4346 -0.4346 -0.1524 -0.1524 0.1402 0.1402 0.5802 0.5802 0.8446 0.8446 0.9947 0.9947 7.2231 7.2231 7.3636 7.3636 7.5620 7.5620 7.7973 7.7973 k = 0.3065 0.2314 0.0000 ( 13344 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8739 -12.8739 -12.1870 -12.1870 -12.1155 -12.1155 -12.0229 -12.0229 -2.6356 -2.6356 -2.5977 -2.5977 -1.9857 -1.9857 -0.9217 -0.9217 -0.7963 -0.7963 -0.6559 -0.6559 -0.4427 -0.4427 -0.1647 -0.1647 0.1785 0.1785 0.6108 0.6108 0.8532 0.8532 0.9972 0.9972 7.2762 7.2762 7.3194 7.3194 7.6006 7.6006 7.8315 7.8315 k = 0.2903 0.2192 0.0000 ( 13348 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8825 -12.8825 -12.1865 -12.1865 -12.1047 -12.1047 -12.0226 -12.0226 -2.6461 -2.6461 -2.5855 -2.5855 -1.9979 -1.9979 -0.9434 -0.9434 -0.8071 -0.8071 -0.6720 -0.6720 -0.4508 -0.4508 -0.1780 -0.1780 0.2154 0.2154 0.6436 0.6436 0.8604 0.8604 1.0018 1.0018 7.2595 7.2595 7.3476 7.3476 7.6411 7.6411 7.7372 7.7372 k = 0.2742 0.2071 0.0000 ( 13356 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8912 -12.8912 -12.1859 -12.1859 -12.0940 -12.0940 -12.0223 -12.0223 -2.6569 -2.6569 -2.5727 -2.5727 -2.0103 -2.0103 -0.9656 -0.9656 -0.8174 -0.8174 -0.6874 -0.6874 -0.4590 -0.4590 -0.1920 -0.1920 0.2506 0.2506 0.6783 0.6783 0.8657 0.8657 1.0087 1.0087 7.2106 7.2106 7.4108 7.4108 7.6384 7.6384 7.6828 7.6828 k = 0.2581 0.1949 0.0000 ( 13356 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8997 -12.8997 -12.1854 -12.1854 -12.0832 -12.0832 -12.0220 -12.0220 -2.6678 -2.6678 -2.5592 -2.5592 -2.0227 -2.0227 -0.9883 -0.9883 -0.8271 -0.8271 -0.7021 -0.7021 -0.4670 -0.4670 -0.2066 -0.2066 0.2839 0.2839 0.7145 0.7145 0.8689 0.8689 1.0180 1.0180 7.1607 7.1607 7.4761 7.4761 7.5428 7.5428 7.7248 7.7248 k = 0.2419 0.1827 0.0000 ( 13380 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9081 -12.9081 -12.1848 -12.1848 -12.0727 -12.0727 -12.0217 -12.0217 -2.6788 -2.6788 -2.5453 -2.5453 -2.0350 -2.0350 -1.0112 -1.0112 -0.8361 -0.8361 -0.7161 -0.7161 -0.4748 -0.4748 -0.2215 -0.2215 0.3150 0.3150 0.7518 0.7518 0.8703 0.8703 1.0297 1.0297 7.1112 7.1112 7.4411 7.4411 7.5520 7.5520 7.7670 7.7670 k = 0.2258 0.1705 0.0000 ( 13366 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9162 -12.9162 -12.1843 -12.1843 -12.0624 -12.0624 -12.0214 -12.0214 -2.6897 -2.6897 -2.5311 -2.5311 -2.0471 -2.0471 -1.0343 -1.0343 -0.8444 -0.8444 -0.7294 -0.7294 -0.4823 -0.4823 -0.2366 -0.2366 0.3440 0.3440 0.7895 0.7895 0.8702 0.8702 1.0433 1.0433 7.0629 7.0629 7.3485 7.3485 7.6234 7.6234 7.8087 7.8087 k = 0.2097 0.1583 0.0000 ( 13340 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9240 -12.9240 -12.1837 -12.1837 -12.0524 -12.0524 -12.0211 -12.0211 -2.7003 -2.7003 -2.5166 -2.5166 -2.0588 -2.0588 -1.0573 -1.0573 -0.8519 -0.8519 -0.7420 -0.7420 -0.4893 -0.4893 -0.2517 -0.2517 0.3709 0.3709 0.8269 0.8269 0.8688 0.8688 1.0587 1.0587 7.0161 7.0161 7.2583 7.2583 7.6969 7.6969 7.8497 7.8497 k = 0.1935 0.1462 0.0000 ( 13334 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9314 -12.9314 -12.1832 -12.1832 -12.0429 -12.0429 -12.0208 -12.0208 -2.7107 -2.7107 -2.5022 -2.5022 -2.0701 -2.0701 -1.0801 -1.0801 -0.8587 -0.8587 -0.7538 -0.7538 -0.4957 -0.4957 -0.2668 -0.2668 0.3956 0.3956 0.8618 0.8618 0.8683 0.8683 1.0754 1.0754 6.9712 6.9712 7.1717 7.1717 7.7704 7.7704 7.8901 7.8901 k = 0.1774 0.1340 0.0000 ( 13330 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9385 -12.9385 -12.1827 -12.1827 -12.0338 -12.0338 -12.0206 -12.0206 -2.7207 -2.7207 -2.4878 -2.4878 -2.0809 -2.0809 -1.1023 -1.1023 -0.8647 -0.8647 -0.7648 -0.7648 -0.5015 -0.5015 -0.2816 -0.2816 0.4182 0.4182 0.8630 0.8630 0.8991 0.8991 1.0933 1.0933 6.9285 6.9285 7.0896 7.0896 7.8412 7.8412 7.9316 7.9316 k = 0.1613 0.1218 0.0000 ( 13332 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9450 -12.9450 -12.1822 -12.1822 -12.0253 -12.0253 -12.0203 -12.0203 -2.7301 -2.7301 -2.4737 -2.4737 -2.0911 -2.0911 -1.1239 -1.1239 -0.8700 -0.8700 -0.7750 -0.7750 -0.5066 -0.5066 -0.2960 -0.2960 0.4388 0.4388 0.8598 0.8598 0.9317 0.9317 1.1122 1.1122 6.8882 6.8882 7.0127 7.0127 7.9029 7.9029 7.9794 7.9794 k = 0.1452 0.1096 0.0000 ( 13340 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9511 -12.9511 -12.1817 -12.1817 -12.0201 -12.0201 -12.0174 -12.0174 -2.7389 -2.7389 -2.4601 -2.4601 -2.1006 -2.1006 -1.1445 -1.1445 -0.8746 -0.8746 -0.7844 -0.7844 -0.5110 -0.5110 -0.3099 -0.3099 0.4574 0.4574 0.8563 0.8563 0.9614 0.9614 1.1318 1.1318 6.8503 6.8503 6.9418 6.9418 7.9487 7.9487 8.0392 8.0392 k = 0.1290 0.0974 0.0000 ( 13344 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9566 -12.9566 -12.1813 -12.1813 -12.0198 -12.0198 -12.0103 -12.0103 -2.7471 -2.7471 -2.4471 -2.4471 -2.1093 -2.1093 -1.1639 -1.1639 -0.8786 -0.8786 -0.7929 -0.7929 -0.5145 -0.5145 -0.3231 -0.3231 0.4740 0.4740 0.8529 0.8529 0.9877 0.9877 1.1518 1.1518 6.8144 6.8144 6.8781 6.8781 7.9812 7.9812 8.1075 8.1075 k = 0.1129 0.0853 0.0000 ( 13334 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9615 -12.9615 -12.1809 -12.1809 -12.0196 -12.0196 -12.0038 -12.0038 -2.7545 -2.7545 -2.4350 -2.4350 -2.1172 -2.1172 -1.1818 -1.1818 -0.8820 -0.8820 -0.8005 -0.8005 -0.5173 -0.5173 -0.3355 -0.3355 0.4887 0.4887 0.8496 0.8496 1.0105 1.0105 1.1717 1.1717 6.7790 6.7790 6.8238 6.8238 8.0060 8.0060 8.1775 8.1775 k = 0.0968 0.0731 0.0000 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9658 -12.9658 -12.1806 -12.1806 -12.0194 -12.0194 -11.9981 -11.9981 -2.7610 -2.7610 -2.4239 -2.4239 -2.1241 -2.1241 -1.1980 -1.1980 -0.8848 -0.8848 -0.8071 -0.8071 -0.5194 -0.5194 -0.3468 -0.3468 0.5014 0.5014 0.8465 0.8465 1.0296 1.0296 1.1910 1.1910 6.7413 6.7413 6.7823 6.7823 8.0256 8.0256 8.2455 8.2455 k = 0.0806 0.0609 0.0000 ( 13315 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9695 -12.9695 -12.1803 -12.1803 -12.0193 -12.0193 -11.9932 -11.9932 -2.7666 -2.7666 -2.4141 -2.4141 -2.1301 -2.1301 -1.2122 -1.2122 -0.8872 -0.8872 -0.8128 -0.8128 -0.5208 -0.5208 -0.3569 -0.3569 0.5122 0.5122 0.8437 0.8437 1.0453 1.0453 1.2088 1.2088 6.7025 6.7025 6.7530 6.7530 8.0412 8.0412 8.3092 8.3092 k = 0.0645 0.0487 0.0000 ( 13315 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9726 -12.9726 -12.1800 -12.1800 -12.0191 -12.0191 -11.9892 -11.9892 -2.7713 -2.7713 -2.4058 -2.4058 -2.1351 -2.1351 -1.2242 -1.2242 -0.8890 -0.8890 -0.8175 -0.8175 -0.5217 -0.5217 -0.3655 -0.3655 0.5211 0.5211 0.8413 0.8413 1.0578 1.0578 1.2244 1.2244 6.6677 6.6677 6.7314 6.7314 8.0532 8.0532 8.3661 8.3661 k = 0.0484 0.0365 0.0000 ( 13297 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9750 -12.9750 -12.1798 -12.1798 -12.0190 -12.0190 -11.9860 -11.9860 -2.7750 -2.7750 -2.3991 -2.3991 -2.1390 -2.1390 -1.2337 -1.2337 -0.8904 -0.8904 -0.8211 -0.8211 -0.5222 -0.5222 -0.3726 -0.3726 0.5280 0.5280 0.8394 0.8394 1.0672 1.0672 1.2373 1.2373 6.6393 6.6393 6.7154 6.7154 8.0622 8.0622 8.4141 8.4141 k = 0.0323 0.0244 0.0000 ( 13311 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9767 -12.9767 -12.1797 -12.1797 -12.0190 -12.0190 -11.9838 -11.9838 -2.7776 -2.7776 -2.3942 -2.3942 -2.1419 -2.1419 -1.2407 -1.2407 -0.8914 -0.8914 -0.8238 -0.8238 -0.5224 -0.5224 -0.3778 -0.3778 0.5330 0.5330 0.8381 0.8381 1.0739 1.0739 1.2468 1.2468 6.6186 6.6186 6.7042 6.7042 8.0684 8.0684 8.4508 8.4508 k = 0.0161 0.0122 0.0000 ( 13297 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9777 -12.9777 -12.1796 -12.1796 -12.0189 -12.0189 -11.9824 -11.9824 -2.7792 -2.7792 -2.3912 -2.3912 -2.1436 -2.1436 -1.2449 -1.2449 -0.8920 -0.8920 -0.8254 -0.8254 -0.5224 -0.5224 -0.3809 -0.3809 0.5359 0.5359 0.8372 0.8372 1.0778 1.0778 1.2527 1.2527 6.6060 6.6060 6.6975 6.6975 8.0720 8.0720 8.4739 8.4739 k = 0.0000 0.0000 0.0000 ( 13289 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9781 -12.9781 -12.1796 -12.1796 -12.0189 -12.0189 -11.9819 -11.9819 -2.7798 -2.7798 -2.3902 -2.3902 -2.1441 -2.1441 -1.2463 -1.2463 -0.8922 -0.8922 -0.8259 -0.8259 -0.5224 -0.5224 -0.3820 -0.3820 0.5369 0.5369 0.8369 0.8369 1.0791 1.0791 1.2547 1.2547 6.6018 6.6018 6.6953 6.6953 8.0732 8.0732 8.4818 8.4818 k = 0.0000 0.0000 0.0000 ( 13289 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9781 -12.9781 -12.1796 -12.1796 -12.0189 -12.0189 -11.9819 -11.9819 -2.7798 -2.7798 -2.3902 -2.3902 -2.1441 -2.1441 -1.2463 -1.2463 -0.8922 -0.8922 -0.8259 -0.8259 -0.5224 -0.5224 -0.3820 -0.3820 0.5369 0.5369 0.8369 0.8369 1.0791 1.0791 1.2547 1.2547 6.6018 6.6018 6.6953 6.6953 8.0732 8.0732 8.4818 8.4818 k = 0.0087-0.0115 0.0144 ( 13291 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9778 -12.9778 -12.1796 -12.1796 -12.0192 -12.0192 -11.9820 -11.9820 -2.7794 -2.7794 -2.3899 -2.3899 -2.1449 -2.1449 -1.2458 -1.2458 -0.8933 -0.8933 -0.8257 -0.8257 -0.5271 -0.5271 -0.3751 -0.3751 0.5359 0.5359 0.8377 0.8377 1.0777 1.0777 1.2530 1.2530 6.6060 6.6060 6.6978 6.6978 8.0757 8.0757 8.4819 8.4819 k = 0.0174-0.0230 0.0287 ( 13291 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9768 -12.9768 -12.1797 -12.1797 -12.0199 -12.0199 -11.9823 -11.9823 -2.7783 -2.7783 -2.3892 -2.3892 -2.1472 -2.1472 -1.2444 -1.2444 -0.8965 -0.8965 -0.8251 -0.8251 -0.5389 -0.5389 -0.3568 -0.3568 0.5327 0.5327 0.8400 0.8400 1.0737 1.0737 1.2481 1.2481 6.6184 6.6184 6.7054 6.7054 8.0832 8.0832 8.4821 8.4821 k = 0.0261-0.0345 0.0431 ( 13309 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9752 -12.9752 -12.1799 -12.1799 -12.0213 -12.0213 -11.9829 -11.9829 -2.7765 -2.7765 -2.3879 -2.3879 -2.1510 -2.1510 -1.2419 -1.2419 -0.9015 -0.9015 -0.8244 -0.8244 -0.5539 -0.5539 -0.3309 -0.3309 0.5274 0.5274 0.8438 0.8438 1.0668 1.0668 1.2402 1.2402 6.6390 6.6390 6.7180 6.7180 8.0957 8.0957 8.4826 8.4826 k = 0.0348-0.0460 0.0574 ( 13321 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9730 -12.9730 -12.1802 -12.1802 -12.0231 -12.0231 -11.9836 -11.9836 -2.7739 -2.7739 -2.3862 -2.3862 -2.1561 -2.1561 -1.2384 -1.2384 -0.9080 -0.9080 -0.8240 -0.8240 -0.5694 -0.5694 -0.3002 -0.3002 0.5201 0.5201 0.8489 0.8489 1.0569 1.0569 1.2297 1.2297 6.6675 6.6675 6.7356 6.7356 8.1130 8.1130 8.4834 8.4834 k = 0.0435-0.0576 0.0718 ( 13341 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9702 -12.9702 -12.1805 -12.1805 -12.0254 -12.0254 -11.9845 -11.9845 -2.7707 -2.7707 -2.3840 -2.3840 -2.1626 -2.1626 -1.2340 -1.2340 -0.9157 -0.9157 -0.8240 -0.8240 -0.5839 -0.5839 -0.2662 -0.2662 0.5107 0.5107 0.8552 0.8552 1.0438 1.0438 1.2173 1.2173 6.7035 6.7035 6.7582 6.7582 8.1350 8.1350 8.4845 8.4845 k = 0.0522-0.0691 0.0861 ( 13351 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9667 -12.9667 -12.1809 -12.1809 -12.0281 -12.0281 -11.9856 -11.9856 -2.7667 -2.7667 -2.3814 -2.3814 -2.1701 -2.1701 -1.2286 -1.2286 -0.9245 -0.9245 -0.8249 -0.8249 -0.5966 -0.5966 -0.2298 -0.2298 0.4993 0.4993 0.8625 0.8625 1.0271 1.0271 1.2036 1.2036 6.7467 6.7467 6.7857 6.7857 8.1614 8.1614 8.4860 8.4860 k = 0.0608-0.0806 0.1005 ( 13369 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9627 -12.9627 -12.1814 -12.1814 -12.0314 -12.0314 -11.9869 -11.9869 -2.7620 -2.7620 -2.3784 -2.3784 -2.1787 -2.1787 -1.2222 -1.2222 -0.9340 -0.9340 -0.8266 -0.8266 -0.6072 -0.6072 -0.1915 -0.1915 0.4859 0.4859 0.8705 0.8705 1.0069 1.0069 1.1893 1.1893 6.7966 6.7966 6.8180 6.8180 8.1920 8.1920 8.4882 8.4882 k = 0.0695-0.0921 0.1149 ( 13359 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9581 -12.9581 -12.1819 -12.1819 -12.0350 -12.0350 -11.9885 -11.9885 -2.7566 -2.7566 -2.3751 -2.3751 -2.1882 -2.1882 -1.2149 -1.2149 -0.9441 -0.9441 -0.8292 -0.8292 -0.6155 -0.6155 -0.1517 -0.1517 0.4704 0.4704 0.8788 0.8788 0.9832 0.9832 1.1751 1.1751 6.8522 6.8522 6.8554 6.8554 8.2263 8.2263 8.4912 8.4912 k = 0.0782-0.1036 0.1292 ( 13367 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9530 -12.9530 -12.1826 -12.1826 -12.0391 -12.0391 -11.9902 -11.9902 -2.7505 -2.7505 -2.3716 -2.3716 -2.1983 -2.1983 -1.2067 -1.2067 -0.9546 -0.9546 -0.8327 -0.8327 -0.6216 -0.6216 -0.1107 -0.1107 0.4528 0.4528 0.8868 0.8868 0.9563 0.9563 1.1615 1.1615 6.8964 6.8964 6.9142 6.9142 8.2639 8.2639 8.4954 8.4954 k = 0.0869-0.1151 0.1436 ( 13353 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9474 -12.9474 -12.1832 -12.1832 -12.0435 -12.0435 -11.9921 -11.9921 -2.7438 -2.7438 -2.3679 -2.3679 -2.2088 -2.2088 -1.1976 -1.1976 -0.9654 -0.9654 -0.8367 -0.8367 -0.6256 -0.6256 -0.0688 -0.0688 0.4331 0.4331 0.8930 0.8930 0.9279 0.9279 1.1491 1.1491 6.9425 6.9425 6.9802 6.9802 8.3041 8.3041 8.5014 8.5014 k = 0.0956-0.1266 0.1579 ( 13355 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9413 -12.9413 -12.1840 -12.1840 -12.0483 -12.0483 -11.9942 -11.9942 -2.7364 -2.7364 -2.3642 -2.3642 -2.2197 -2.2197 -1.1876 -1.1876 -0.9762 -0.9762 -0.8411 -0.8411 -0.6277 -0.6277 -0.0262 -0.0262 0.4112 0.4112 0.8850 0.8850 0.9101 0.9101 1.1385 1.1385 6.9930 6.9930 7.0501 7.0501 8.3458 8.3458 8.5098 8.5098 k = 0.1043-0.1381 0.1723 ( 13353 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9347 -12.9347 -12.1848 -12.1848 -12.0533 -12.0533 -11.9966 -11.9966 -2.7284 -2.7284 -2.3604 -2.3604 -2.2307 -2.2307 -1.1768 -1.1768 -0.9871 -0.9871 -0.8455 -0.8455 -0.6283 -0.6283 0.0168 0.0168 0.3869 0.3869 0.8545 0.8545 0.9111 0.9111 1.1301 1.1301 7.0476 7.0476 7.1228 7.1228 8.3874 8.3874 8.5220 8.5220 k = 0.1130-0.1496 0.1866 ( 13353 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9278 -12.9278 -12.1857 -12.1857 -12.0586 -12.0586 -11.9991 -11.9991 -2.7197 -2.7197 -2.3567 -2.3567 -2.2416 -2.2416 -1.1652 -1.1652 -0.9979 -0.9979 -0.8497 -0.8497 -0.6274 -0.6274 0.0601 0.0601 0.3602 0.3602 0.8197 0.8197 0.9127 0.9127 1.1247 1.1247 7.1062 7.1062 7.1970 7.1970 8.4270 8.4270 8.5395 8.5395 k = 0.1217-0.1611 0.2010 ( 13349 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9205 -12.9205 -12.1866 -12.1866 -12.0641 -12.0641 -12.0018 -12.0018 -2.7105 -2.7105 -2.3533 -2.3533 -2.2523 -2.2523 -1.1528 -1.1528 -1.0085 -1.0085 -0.8532 -0.8532 -0.6255 -0.6255 0.1032 0.1032 0.3311 0.3311 0.7840 0.7840 0.9112 0.9112 1.1228 1.1228 7.1686 7.1686 7.2716 7.2716 8.4626 8.4626 8.5637 8.5637 k = 0.1304-0.1727 0.2153 ( 13349 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9128 -12.9128 -12.1876 -12.1876 -12.0698 -12.0698 -12.0047 -12.0047 -2.7008 -2.7008 -2.3502 -2.3502 -2.2626 -2.2626 -1.1397 -1.1397 -1.0187 -1.0187 -0.8560 -0.8560 -0.6225 -0.6225 0.1458 0.1458 0.2998 0.2998 0.7483 0.7483 0.9059 0.9059 1.1246 1.1246 7.2345 7.2345 7.3449 7.3449 8.4941 8.4941 8.5937 8.5937 k = 0.1391-0.1842 0.2297 ( 13361 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.9050 -12.9050 -12.1887 -12.1887 -12.0755 -12.0755 -12.0077 -12.0077 -2.6905 -2.6905 -2.3475 -2.3475 -2.2723 -2.2723 -1.1261 -1.1261 -1.0284 -1.0284 -0.8577 -0.8577 -0.6187 -0.6187 0.1866 0.1866 0.2673 0.2673 0.7134 0.7134 0.8966 0.8966 1.1299 1.1299 7.3036 7.3036 7.4153 7.4153 8.5238 8.5238 8.6255 8.6255 k = 0.1478-0.1957 0.2441 ( 13349 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8969 -12.8969 -12.1897 -12.1897 -12.0813 -12.0813 -12.0110 -12.0110 -2.6798 -2.6798 -2.3453 -2.3453 -2.2814 -2.2814 -1.1118 -1.1118 -1.0375 -1.0375 -0.8583 -0.8583 -0.6141 -0.6141 0.2112 0.2112 0.2478 0.2478 0.6797 0.6797 0.8839 0.8839 1.1381 1.1381 7.3756 7.3756 7.4809 7.4809 8.5544 8.5544 8.6547 8.6547 k = 0.1565-0.2072 0.2584 ( 13351 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8886 -12.8886 -12.1909 -12.1909 -12.0870 -12.0870 -12.0144 -12.0144 -2.6687 -2.6687 -2.3438 -2.3438 -2.2896 -2.2896 -1.0970 -1.0970 -1.0458 -1.0458 -0.8577 -0.8577 -0.6088 -0.6088 0.1834 0.1834 0.2775 0.2775 0.6477 0.6477 0.8680 0.8680 1.1485 1.1485 7.4501 7.4501 7.5400 7.5400 8.5856 8.5856 8.6792 8.6792 k = 0.1652-0.2187 0.2728 ( 13339 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8803 -12.8803 -12.1920 -12.1920 -12.0927 -12.0927 -12.0180 -12.0180 -2.6572 -2.6572 -2.3430 -2.3430 -2.2970 -2.2970 -1.0820 -1.0820 -1.0530 -1.0530 -0.8557 -0.8557 -0.6028 -0.6028 0.1439 0.1439 0.3152 0.3152 0.6179 0.6179 0.8497 0.8497 1.1605 1.1605 7.5259 7.5259 7.5915 7.5915 8.6108 8.6108 8.7045 8.7045 k = 0.1738-0.2302 0.2871 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8719 -12.8719 -12.1932 -12.1932 -12.0982 -12.0982 -12.0218 -12.0218 -2.6454 -2.6454 -2.3429 -2.3429 -2.3035 -2.3035 -1.0681 -1.0681 -1.0576 -1.0576 -0.8524 -0.8524 -0.5961 -0.5961 0.1018 0.1018 0.3514 0.3514 0.5911 0.5911 0.8294 0.8294 1.1733 1.1733 7.5989 7.5989 7.6382 7.6382 8.6177 8.6177 8.7231 8.7231 k = 0.1825-0.2417 0.3015 ( 13327 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8636 -12.8636 -12.1945 -12.1945 -12.1035 -12.1035 -12.0257 -12.0257 -2.6335 -2.6335 -2.3435 -2.3435 -2.3090 -2.3090 -1.0664 -1.0664 -1.0484 -1.0484 -0.8478 -0.8478 -0.5887 -0.5887 0.0582 0.0582 0.3836 0.3836 0.5687 0.5687 0.8076 0.8076 1.1864 1.1864 7.6482 7.6482 7.6996 7.6996 8.6054 8.6054 8.6942 8.6942 k = 0.1912-0.2532 0.3158 ( 13315 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8554 -12.8554 -12.1957 -12.1957 -12.1085 -12.1085 -12.0297 -12.0297 -2.6213 -2.6213 -2.3449 -2.3449 -2.3137 -2.3137 -1.0696 -1.0696 -1.0327 -1.0327 -0.8418 -0.8418 -0.5807 -0.5807 0.0138 0.0138 0.4085 0.4085 0.5539 0.5539 0.7845 0.7845 1.1994 1.1994 7.6716 7.6716 7.7777 7.7777 8.5814 8.5814 8.6629 8.6629 k = 0.1999-0.2647 0.3302 ( 13309 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8473 -12.8473 -12.1970 -12.1970 -12.1131 -12.1131 -12.0340 -12.0340 -2.6091 -2.6091 -2.3470 -2.3470 -2.3174 -2.3174 -1.0718 -1.0718 -1.0164 -1.0164 -0.8346 -0.8346 -0.5719 -0.5719 -0.0309 -0.0309 0.4205 0.4205 0.5516 0.5516 0.7606 0.7606 1.2120 1.2120 7.6821 7.6821 7.8593 7.8593 8.5503 8.5503 8.6299 8.6299 k = 0.2086-0.2763 0.3446 ( 13321 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8395 -12.8395 -12.1982 -12.1982 -12.1173 -12.1173 -12.0383 -12.0383 -2.5970 -2.5970 -2.3501 -2.3501 -2.3199 -2.3199 -1.0725 -1.0725 -0.9999 -0.9999 -0.8262 -0.8262 -0.5623 -0.5623 -0.0755 -0.0755 0.4174 0.4174 0.5640 0.5640 0.7360 0.7360 1.2239 1.2239 7.6830 7.6830 7.9414 7.9414 8.5147 8.5147 8.5959 8.5959 k = 0.2173-0.2878 0.3589 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8320 -12.8320 -12.1995 -12.1995 -12.1211 -12.1211 -12.0428 -12.0428 -2.5850 -2.5850 -2.3544 -2.3544 -2.3210 -2.3210 -1.0716 -1.0716 -0.9835 -0.9835 -0.8166 -0.8166 -0.5521 -0.5521 -0.1194 -0.1194 0.4040 0.4040 0.5858 0.5858 0.7110 0.7110 1.2347 1.2347 7.6758 7.6758 8.0224 8.0224 8.4759 8.4759 8.5620 8.5620 k = 0.2260-0.2993 0.3733 ( 13309 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8249 -12.8249 -12.2008 -12.2008 -12.1243 -12.1243 -12.0474 -12.0474 -2.5733 -2.5733 -2.3600 -2.3600 -2.3206 -2.3206 -1.0691 -1.0691 -0.9671 -0.9671 -0.8059 -0.8059 -0.5410 -0.5410 -0.1623 -0.1623 0.3856 0.3856 0.6115 0.6115 0.6860 0.6860 1.2444 1.2444 7.6616 7.6616 8.1003 8.1003 8.4351 8.4351 8.5292 8.5292 k = 0.2347-0.3108 0.3876 ( 13311 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8182 -12.8182 -12.2020 -12.2020 -12.1269 -12.1269 -12.0521 -12.0521 -2.5619 -2.5619 -2.3670 -2.3670 -2.3184 -2.3184 -1.0649 -1.0649 -0.9510 -0.9510 -0.7941 -0.7941 -0.5292 -0.5292 -0.2037 -0.2037 0.3650 0.3650 0.6381 0.6381 0.6610 0.6610 1.2526 1.2526 7.6415 7.6415 8.1710 8.1710 8.3941 8.3941 8.5000 8.5000 k = 0.2434-0.3223 0.4020 ( 13315 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8120 -12.8120 -12.2033 -12.2033 -12.1289 -12.1289 -12.0570 -12.0570 -2.5510 -2.5510 -2.3753 -2.3753 -2.3146 -2.3146 -1.0590 -1.0590 -0.9352 -0.9352 -0.7815 -0.7815 -0.5167 -0.5167 -0.2433 -0.2433 0.3434 0.3434 0.6362 0.6362 0.6643 0.6643 1.2594 1.2594 7.6165 7.6165 8.2249 8.2249 8.3567 8.3567 8.4799 8.4799 k = 0.2521-0.3338 0.4163 ( 13319 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8063 -12.8063 -12.2045 -12.2045 -12.1301 -12.1301 -12.0619 -12.0619 -2.5406 -2.5406 -2.3847 -2.3847 -2.3092 -2.3092 -1.0515 -1.0515 -0.9198 -0.9198 -0.7679 -0.7679 -0.5036 -0.5036 -0.2806 -0.2806 0.3211 0.3211 0.6122 0.6122 0.6890 0.6890 1.2646 1.2646 7.5875 7.5875 8.2410 8.2410 8.3303 8.3303 8.4815 8.4815 k = 0.2608-0.3453 0.4307 ( 13323 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8012 -12.8012 -12.2057 -12.2057 -12.1307 -12.1307 -12.0669 -12.0669 -2.5311 -2.5311 -2.3951 -2.3951 -2.3023 -2.3023 -1.0424 -1.0424 -0.9049 -0.9049 -0.7536 -0.7536 -0.4900 -0.4900 -0.3153 -0.3153 0.2983 0.2983 0.5890 0.5890 0.7122 0.7122 1.2680 1.2680 7.5552 7.5552 8.2162 8.2162 8.3094 8.3094 8.5125 8.5125 k = 0.2695-0.3568 0.4451 ( 13323 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7968 -12.7968 -12.2068 -12.2068 -12.1305 -12.1305 -12.0719 -12.0719 -2.5223 -2.5223 -2.4064 -2.4064 -2.2939 -2.2939 -1.0320 -1.0320 -0.8907 -0.8907 -0.7386 -0.7386 -0.4761 -0.4761 -0.3467 -0.3467 0.2751 0.2751 0.5669 0.5669 0.7334 0.7334 1.2698 1.2698 7.5203 7.5203 8.1751 8.1751 8.2809 8.2809 8.5597 8.5597 k = 0.2782-0.3683 0.4594 ( 13319 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7929 -12.7929 -12.2079 -12.2079 -12.1296 -12.1296 -12.0771 -12.0771 -2.5146 -2.5146 -2.4184 -2.4184 -2.2841 -2.2841 -1.0201 -1.0201 -0.8772 -0.8772 -0.7230 -0.7230 -0.4629 -0.4629 -0.3738 -0.3738 0.2514 0.2514 0.5460 0.5460 0.7527 0.7527 1.2697 1.2697 7.4834 7.4834 8.1293 8.1293 8.2462 8.2462 8.6075 8.6075 k = 0.2868-0.3799 0.4738 ( 13315 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7897 -12.7897 -12.2089 -12.2089 -12.1280 -12.1280 -12.0823 -12.0823 -2.5080 -2.5080 -2.4310 -2.4310 -2.2728 -2.2728 -1.0071 -1.0071 -0.8645 -0.8645 -0.7069 -0.7069 -0.4527 -0.4527 -0.3940 -0.3940 0.2273 0.2273 0.5267 0.5267 0.7699 0.7699 1.2679 1.2679 7.4452 7.4452 8.0818 8.0818 8.2081 8.2081 8.6466 8.6466 k = 0.2955-0.3914 0.4881 ( 13327 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7872 -12.7872 -12.2099 -12.2099 -12.1257 -12.1257 -12.0875 -12.0875 -2.5027 -2.5027 -2.4439 -2.4439 -2.2603 -2.2603 -0.9931 -0.9931 -0.8528 -0.8528 -0.6905 -0.6905 -0.4521 -0.4521 -0.4006 -0.4006 0.2025 0.2025 0.5090 0.5090 0.7849 0.7849 1.2644 1.2644 7.4062 7.4062 8.0337 8.0337 8.1680 8.1680 8.6709 8.6709 k = 0.3042-0.4029 0.5025 ( 13327 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7852 -12.7852 -12.2107 -12.2107 -12.1227 -12.1227 -12.0928 -12.0928 -2.4990 -2.4990 -2.4569 -2.4569 -2.2464 -2.2464 -0.9782 -0.9782 -0.8419 -0.8419 -0.6737 -0.6737 -0.4621 -0.4621 -0.3925 -0.3925 0.1772 0.1772 0.4931 0.4931 0.7978 0.7978 1.2591 1.2591 7.3669 7.3669 7.9857 7.9857 8.1268 8.1268 8.6759 8.6759 k = 0.3129-0.4144 0.5168 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7839 -12.7839 -12.2115 -12.2115 -12.1190 -12.1190 -12.0980 -12.0980 -2.4975 -2.4975 -2.4692 -2.4692 -2.2314 -2.2314 -0.9626 -0.9626 -0.8320 -0.8320 -0.6569 -0.6569 -0.4745 -0.4745 -0.3779 -0.3779 0.1513 0.1513 0.4790 0.4790 0.8085 0.8085 1.2522 1.2522 7.3277 7.3277 7.9380 7.9380 8.0848 8.0848 8.6599 8.6599 k = 0.3216-0.4259 0.5312 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7832 -12.7832 -12.2122 -12.2122 -12.1148 -12.1148 -12.1033 -12.1033 -2.5001 -2.5001 -2.4787 -2.4787 -2.2152 -2.2152 -0.9464 -0.9464 -0.8230 -0.8230 -0.6402 -0.6402 -0.4852 -0.4852 -0.3610 -0.3610 0.1250 0.1250 0.4668 0.4668 0.8171 0.8171 1.2438 1.2438 7.2890 7.2890 7.8909 7.8909 8.0423 8.0423 8.6247 8.6247 k = 0.3216-0.4259 0.5312 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7832 -12.7832 -12.2122 -12.2122 -12.1148 -12.1148 -12.1033 -12.1033 -2.5001 -2.5001 -2.4787 -2.4787 -2.2152 -2.2152 -0.9464 -0.9464 -0.8230 -0.8230 -0.6402 -0.6402 -0.4852 -0.4852 -0.3610 -0.3610 0.1250 0.1250 0.4668 0.4668 0.8171 0.8171 1.2438 1.2438 7.2890 7.2890 7.8909 7.8909 8.0423 8.0423 8.6247 8.6247 k = 0.3315-0.4101 0.5246 ( 13327 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7836 -12.7836 -12.2117 -12.2117 -12.1177 -12.1177 -12.1000 -12.1000 -2.4986 -2.4986 -2.4749 -2.4749 -2.2223 -2.2223 -0.9554 -0.9554 -0.8259 -0.8259 -0.6501 -0.6501 -0.4807 -0.4807 -0.3661 -0.3661 0.1371 0.1371 0.4718 0.4718 0.8138 0.8138 1.2478 1.2478 7.3081 7.3081 7.9136 7.9136 8.0615 8.0615 8.6412 8.6412 k = 0.3414-0.3944 0.5181 ( 13322 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7845 -12.7845 -12.2109 -12.2109 -12.1212 -12.1212 -12.0958 -12.0958 -2.4997 -2.4997 -2.4698 -2.4698 -2.2283 -2.2283 -0.9674 -0.9674 -0.8267 -0.8267 -0.6643 -0.6643 -0.4765 -0.4765 -0.3651 -0.3651 0.1492 0.1492 0.4762 0.4762 0.8108 0.8108 1.2516 1.2516 7.3303 7.3303 7.9388 7.9388 8.0801 8.0801 8.6503 8.6503 k = 0.3513-0.3786 0.5115 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7857 -12.7857 -12.2098 -12.2098 -12.1249 -12.1249 -12.0913 -12.0913 -2.5031 -2.5031 -2.4635 -2.4635 -2.2330 -2.2330 -0.9817 -0.9817 -0.8259 -0.8259 -0.6821 -0.6821 -0.4730 -0.4730 -0.3582 -0.3582 0.1614 0.1614 0.4798 0.4798 0.8081 0.8081 1.2550 1.2550 7.3554 7.3554 7.9663 7.9663 8.0981 8.0981 8.6517 8.6517 k = 0.3613-0.3629 0.5049 ( 13321 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7872 -12.7872 -12.2084 -12.2084 -12.1287 -12.1287 -12.0866 -12.0866 -2.5084 -2.5084 -2.4564 -2.4564 -2.2364 -2.2364 -0.9977 -0.9977 -0.8239 -0.8239 -0.7026 -0.7026 -0.4701 -0.4701 -0.3465 -0.3465 0.1738 0.1738 0.4824 0.4824 0.8057 0.8057 1.2578 1.2578 7.3834 7.3834 7.9956 7.9956 8.1155 8.1155 8.6456 8.6456 k = 0.3712-0.3471 0.4983 ( 13313 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7889 -12.7889 -12.2068 -12.2068 -12.1324 -12.1324 -12.0820 -12.0820 -2.5152 -2.5152 -2.4488 -2.4488 -2.2386 -2.2386 -1.0149 -1.0149 -0.8210 -0.8210 -0.7246 -0.7246 -0.4677 -0.4677 -0.3314 -0.3314 0.1864 0.1864 0.4839 0.4839 0.8037 0.8037 1.2599 1.2599 7.4140 7.4140 8.0264 8.0264 8.1326 8.1326 8.6323 8.6323 k = 0.3811-0.3314 0.4918 ( 13314 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7908 -12.7908 -12.2050 -12.2050 -12.1361 -12.1361 -12.0773 -12.0773 -2.5230 -2.5230 -2.4409 -2.4409 -2.2397 -2.2397 -1.0326 -1.0326 -0.8178 -0.8178 -0.7474 -0.7474 -0.4655 -0.4655 -0.3141 -0.3141 0.1994 0.1994 0.4842 0.4842 0.8022 0.8022 1.2613 1.2613 7.4472 7.4472 8.0578 8.0578 8.1495 8.1495 8.6127 8.6127 k = 0.3910-0.3156 0.4852 ( 13316 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7928 -12.7928 -12.2031 -12.2031 -12.1396 -12.1396 -12.0728 -12.0728 -2.5315 -2.5315 -2.4329 -2.4329 -2.2399 -2.2399 -1.0505 -1.0505 -0.8147 -0.8147 -0.7699 -0.7699 -0.4634 -0.4634 -0.2956 -0.2956 0.2128 0.2128 0.4831 0.4831 0.8011 0.8011 1.2619 1.2619 7.4827 7.4827 8.0888 8.0888 8.1670 8.1670 8.5879 8.5879 k = 0.4009-0.2998 0.4786 ( 13316 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7948 -12.7948 -12.2011 -12.2011 -12.1431 -12.1431 -12.0685 -12.0685 -2.5403 -2.5403 -2.4251 -2.4251 -2.2395 -2.2395 -1.0681 -1.0681 -0.8135 -0.8135 -0.7899 -0.7899 -0.4613 -0.4613 -0.2768 -0.2768 0.2266 0.2266 0.4806 0.4806 0.8006 0.8006 1.2617 1.2617 7.5204 7.5204 8.1172 8.1172 8.1863 8.1863 8.5590 8.5590 k = 0.4108-0.2841 0.4721 ( 13319 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7968 -12.7968 -12.1989 -12.1989 -12.1465 -12.1465 -12.0644 -12.0644 -2.5491 -2.5491 -2.4174 -2.4174 -2.2385 -2.2385 -1.0850 -1.0850 -0.8220 -0.8220 -0.7994 -0.7994 -0.4594 -0.4594 -0.2582 -0.2582 0.2410 0.2410 0.4766 0.4766 0.8005 0.8005 1.2608 1.2608 7.5600 7.5600 8.1406 8.1406 8.2092 8.2092 8.5275 8.5275 k = 0.4207-0.2683 0.4655 ( 13322 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7987 -12.7987 -12.1967 -12.1967 -12.1498 -12.1498 -12.0606 -12.0606 -2.5576 -2.5576 -2.4100 -2.4100 -2.2372 -2.2372 -1.1010 -1.1010 -0.8395 -0.8395 -0.7985 -0.7985 -0.4576 -0.4576 -0.2405 -0.2405 0.2558 0.2558 0.4712 0.4712 0.8010 0.8010 1.2591 1.2591 7.6013 7.6013 8.1574 8.1574 8.2361 8.2361 8.4946 8.4946 k = 0.4306-0.2526 0.4589 ( 13320 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8006 -12.8006 -12.1945 -12.1945 -12.1529 -12.1529 -12.0571 -12.0571 -2.5656 -2.5656 -2.4031 -2.4031 -2.2357 -2.2357 -1.1158 -1.1158 -0.8574 -0.8574 -0.7958 -0.7958 -0.4559 -0.4559 -0.2239 -0.2239 0.2711 0.2711 0.4644 0.4644 0.8019 0.8019 1.2569 1.2569 7.6438 7.6438 8.1678 8.1678 8.2651 8.2651 8.4619 8.4619 k = 0.4405-0.2368 0.4523 ( 13332 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8022 -12.8022 -12.1923 -12.1923 -12.1559 -12.1559 -12.0540 -12.0540 -2.5729 -2.5729 -2.3969 -2.3969 -2.2341 -2.2341 -1.1292 -1.1292 -0.8737 -0.8737 -0.7930 -0.7930 -0.4545 -0.4545 -0.2090 -0.2090 0.2867 0.2867 0.4561 0.4561 0.8031 0.8031 1.2543 1.2543 7.6872 7.6872 8.1726 8.1726 8.2931 8.2931 8.4319 8.4319 k = 0.4504-0.2211 0.4458 ( 13332 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8037 -12.8037 -12.1901 -12.1901 -12.1587 -12.1587 -12.0513 -12.0513 -2.5793 -2.5793 -2.3913 -2.3913 -2.2326 -2.2326 -1.1409 -1.1409 -0.8880 -0.8880 -0.7904 -0.7904 -0.4532 -0.4532 -0.1959 -0.1959 0.3026 0.3026 0.4466 0.4466 0.8046 0.8046 1.2515 1.2515 7.7307 7.7307 8.1715 8.1715 8.3158 8.3158 8.4088 8.4088 k = 0.4604-0.2053 0.4392 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8049 -12.8049 -12.1879 -12.1879 -12.1614 -12.1614 -12.0491 -12.0491 -2.5847 -2.5847 -2.3866 -2.3866 -2.2313 -2.2313 -1.1507 -1.1507 -0.9000 -0.9000 -0.7881 -0.7881 -0.4522 -0.4522 -0.1849 -0.1849 0.3186 0.3186 0.4358 0.4358 0.8062 0.8062 1.2488 1.2488 7.7734 7.7734 8.1640 8.1640 8.3263 8.3263 8.3997 8.3997 k = 0.4703-0.1895 0.4326 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8059 -12.8059 -12.1859 -12.1859 -12.1638 -12.1638 -12.0473 -12.0473 -2.5890 -2.5890 -2.3828 -2.3828 -2.2302 -2.2302 -1.1586 -1.1586 -0.9095 -0.9095 -0.7864 -0.7864 -0.4514 -0.4514 -0.1762 -0.1762 0.3347 0.3347 0.4239 0.4239 0.8076 0.8076 1.2464 1.2464 7.8136 7.8136 8.1505 8.1505 8.3236 8.3236 8.4061 8.4061 k = 0.4802-0.1738 0.4261 ( 13344 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8066 -12.8066 -12.1842 -12.1842 -12.1658 -12.1658 -12.0460 -12.0460 -2.5921 -2.5921 -2.3801 -2.3801 -2.2293 -2.2293 -1.1643 -1.1643 -0.9164 -0.9164 -0.7850 -0.7850 -0.4508 -0.4508 -0.1699 -0.1699 0.3505 0.3505 0.4111 0.4111 0.8088 0.8088 1.2444 1.2444 7.8488 7.8488 8.1333 8.1333 8.3172 8.3172 8.4173 8.4173 k = 0.4901-0.1580 0.4195 ( 13341 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8070 -12.8070 -12.1829 -12.1829 -12.1672 -12.1672 -12.0452 -12.0452 -2.5940 -2.5940 -2.3784 -2.3784 -2.2288 -2.2288 -1.1677 -1.1677 -0.9206 -0.9206 -0.7842 -0.7842 -0.4505 -0.4505 -0.1661 -0.1661 0.3656 0.3656 0.3977 0.3977 0.8096 0.8096 1.2432 1.2432 7.8742 7.8742 8.1179 8.1179 8.3128 8.3128 8.4258 8.4258 k = 0.5000-0.1423 0.4129 ( 13338 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8072 -12.8072 -12.1825 -12.1825 -12.1677 -12.1677 -12.0450 -12.0450 -2.5946 -2.5946 -2.3778 -2.3778 -2.2286 -2.2286 -1.1689 -1.1689 -0.9220 -0.9220 -0.7840 -0.7840 -0.4504 -0.4504 -0.1648 -0.1648 0.3762 0.3762 0.3878 0.3878 0.8099 0.8099 1.2428 1.2428 7.8838 7.8838 8.1115 8.1115 8.3114 8.3114 8.4289 8.4289 k = 0.5000-0.1423 0.4129 ( 13338 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8072 -12.8072 -12.1825 -12.1825 -12.1677 -12.1677 -12.0450 -12.0450 -2.5946 -2.5946 -2.3778 -2.3778 -2.2286 -2.2286 -1.1689 -1.1689 -0.9220 -0.9220 -0.7840 -0.7840 -0.4504 -0.4504 -0.1648 -0.1648 0.3762 0.3762 0.3878 0.3878 0.8099 0.8099 1.2428 1.2428 7.8838 7.8838 8.1115 8.1115 8.3114 8.3114 8.4289 8.4289 k = 0.4914-0.1309 0.4273 ( 13350 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8067 -12.8067 -12.1830 -12.1830 -12.1676 -12.1676 -12.0450 -12.0450 -2.5982 -2.5982 -2.3811 -2.3811 -2.2206 -2.2206 -1.1811 -1.1811 -0.9095 -0.9095 -0.7969 -0.7969 -0.4368 -0.4368 -0.1640 -0.1640 0.3728 0.3728 0.3910 0.3910 0.8096 0.8096 1.2422 1.2422 7.8833 7.8833 8.1102 8.1102 8.3103 8.3103 8.4228 8.4228 k = 0.4828-0.1194 0.4417 ( 13354 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8055 -12.8055 -12.1845 -12.1845 -12.1673 -12.1673 -12.0452 -12.0452 -2.6086 -2.6086 -2.3892 -2.3892 -2.1987 -2.1987 -1.2120 -1.2120 -0.8800 -0.8800 -0.8283 -0.8283 -0.4014 -0.4014 -0.1615 -0.1615 0.3666 0.3666 0.3971 0.3971 0.8088 0.8088 1.2403 1.2403 7.8820 7.8820 8.1056 8.1056 8.3073 8.3073 8.4068 8.4068 k = 0.4741-0.1080 0.4560 ( 13344 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8034 -12.8034 -12.1870 -12.1870 -12.1667 -12.1667 -12.0455 -12.0455 -2.6244 -2.6244 -2.3994 -2.3994 -2.1669 -2.1669 -1.2526 -1.2526 -0.8875 -0.8875 -0.8243 -0.8243 -0.3533 -0.3533 -0.1571 -0.1571 0.3597 0.3597 0.4039 0.4039 0.8075 0.8075 1.2373 1.2373 7.8799 7.8799 8.0963 8.0963 8.3026 8.3026 8.3866 8.3866 k = 0.4655-0.0966 0.4704 ( 13338 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8005 -12.8005 -12.1905 -12.1905 -12.1659 -12.1659 -12.0460 -12.0460 -2.6440 -2.6440 -2.4104 -2.4104 -2.1284 -2.1284 -1.2973 -1.2973 -0.9387 -0.9387 -0.7776 -0.7776 -0.2997 -0.2997 -0.1502 -0.1502 0.3523 0.3523 0.4111 0.4111 0.8057 0.8057 1.2330 1.2330 7.8772 7.8772 8.0800 8.0800 8.2975 8.2975 8.3678 8.3678 k = 0.4569-0.0852 0.4848 ( 13334 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7967 -12.7967 -12.1949 -12.1949 -12.1649 -12.1649 -12.0466 -12.0466 -2.6658 -2.6658 -2.4217 -2.4217 -2.0853 -2.0853 -1.3431 -1.3431 -0.9952 -0.9952 -0.7259 -0.7259 -0.2458 -0.2458 -0.1391 -0.1391 0.3446 0.3446 0.4188 0.4188 0.8036 0.8036 1.2275 1.2275 7.8739 7.8739 8.0553 8.0553 8.2941 8.2941 8.3534 8.3534 k = 0.4483-0.0738 0.4991 ( 13342 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7922 -12.7922 -12.2003 -12.2003 -12.1637 -12.1637 -12.0473 -12.0473 -2.6886 -2.6886 -2.4334 -2.4334 -2.0388 -2.0388 -1.3885 -1.3885 -1.0534 -1.0534 -0.6728 -0.6728 -0.1986 -0.1986 -0.1188 -0.1188 0.3367 0.3367 0.4269 0.4269 0.8012 0.8012 1.2207 1.2207 7.8702 7.8702 8.0227 8.0227 8.2933 8.2933 8.3446 8.3446 k = 0.4397-0.0624 0.5135 ( 13348 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7868 -12.7868 -12.2067 -12.2067 -12.1623 -12.1623 -12.0482 -12.0482 -2.7115 -2.7115 -2.4457 -2.4457 -1.9901 -1.9901 -1.4323 -1.4323 -1.1117 -1.1117 -0.6196 -0.6196 -0.1672 -0.1672 -0.0819 -0.0819 0.3290 0.3290 0.4355 0.4355 0.7987 0.7987 1.2127 1.2127 7.8662 7.8662 7.9845 7.9845 8.2932 8.2932 8.3427 8.3427 k = 0.4310-0.0509 0.5279 ( 13356 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7806 -12.7806 -12.2140 -12.2140 -12.1607 -12.1607 -12.0491 -12.0491 -2.7339 -2.7339 -2.4588 -2.4588 -1.9404 -1.9404 -1.4736 -1.4736 -1.1695 -1.1695 -0.5670 -0.5670 -0.1485 -0.1485 -0.0327 -0.0327 0.3217 0.3217 0.4448 0.4448 0.7962 0.7962 1.2034 1.2034 7.8617 7.8617 7.9437 7.9437 8.2903 8.2903 8.3500 8.3500 k = 0.4224-0.0395 0.5423 ( 13366 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7737 -12.7737 -12.2221 -12.2221 -12.1589 -12.1589 -12.0503 -12.0503 -2.7552 -2.7552 -2.4726 -2.4726 -1.8911 -1.8911 -1.5110 -1.5110 -1.2260 -1.2260 -0.5158 -0.5158 -0.1346 -0.1346 0.0193 0.0193 0.3160 0.3160 0.4547 0.4547 0.7940 0.7940 1.1929 1.1929 7.8551 7.8551 7.9044 7.9044 8.2839 8.2839 8.3658 8.3658 k = 0.4138-0.0281 0.5566 ( 13368 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7660 -12.7660 -12.2312 -12.2312 -12.1569 -12.1569 -12.0515 -12.0515 -2.7752 -2.7752 -2.4873 -2.4873 -1.8448 -1.8448 -1.5422 -1.5422 -1.2807 -1.2807 -0.4665 -0.4665 -0.1221 -0.1221 0.0683 0.0683 0.3132 0.3132 0.4652 0.4652 0.7923 0.7923 1.1812 1.1812 7.8387 7.8387 7.8760 7.8760 8.2751 8.2751 8.3877 8.3877 k = 0.4052-0.0167 0.5710 ( 13362 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7576 -12.7576 -12.2410 -12.2410 -12.1547 -12.1547 -12.0529 -12.0529 -2.7936 -2.7936 -2.5028 -2.5028 -1.8063 -1.8063 -1.5631 -1.5631 -1.3330 -1.3330 -0.4195 -0.4195 -0.1102 -0.1102 0.1102 0.1102 0.3165 0.3165 0.4765 0.4765 0.7912 0.7912 1.1683 1.1683 7.8065 7.8065 7.8658 7.8658 8.2650 8.2650 8.4141 8.4141 k = 0.3966-0.0053 0.5854 ( 13352 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7484 -12.7484 -12.2516 -12.2516 -12.1523 -12.1523 -12.0544 -12.0544 -2.8103 -2.8103 -2.5191 -2.5191 -1.7828 -1.7828 -1.5677 -1.5677 -1.3811 -1.3811 -0.3753 -0.3753 -0.0988 -0.0988 0.1402 0.1402 0.3294 0.3294 0.4886 0.4886 0.7912 0.7912 1.1543 1.1543 7.7706 7.7706 7.8625 7.8625 8.2541 8.2541 8.4439 8.4439 k = 0.3879 0.0061 0.5998 ( 13338 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7385 -12.7385 -12.2630 -12.2630 -12.1498 -12.1498 -12.0560 -12.0560 -2.8253 -2.8253 -2.5361 -2.5361 -1.7792 -1.7792 -1.5561 -1.5561 -1.4203 -1.4203 -0.3341 -0.3341 -0.0885 -0.0885 0.1564 0.1564 0.3539 0.3539 0.5015 0.5015 0.7924 0.7924 1.1392 1.1392 7.7363 7.7363 7.8614 7.8614 8.2426 8.2426 8.4758 8.4758 k = 0.3793 0.0176 0.6141 ( 13344 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7279 -12.7279 -12.2751 -12.2751 -12.1472 -12.1472 -12.0578 -12.0578 -2.8383 -2.8383 -2.5537 -2.5537 -1.7907 -1.7907 -1.5491 -1.5491 -1.4342 -1.4342 -0.2960 -0.2960 -0.0799 -0.0799 0.1613 0.1613 0.3872 0.3872 0.5154 0.5154 0.7952 0.7952 1.1232 1.1232 7.7049 7.7049 7.8616 7.8616 8.2308 8.2308 8.5079 8.5079 k = 0.3707 0.0290 0.6285 ( 13334 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7167 -12.7167 -12.2878 -12.2878 -12.1444 -12.1444 -12.0597 -12.0597 -2.8495 -2.8495 -2.5718 -2.5718 -1.8098 -1.8098 -1.5700 -1.5700 -1.4072 -1.4072 -0.2613 -0.2613 -0.0742 -0.0742 0.1598 0.1598 0.4243 0.4243 0.5305 0.5305 0.7998 0.7998 1.1064 1.1064 7.6771 7.6771 7.8627 7.8627 8.2187 8.2187 8.5320 8.5320 k = 0.3621 0.0404 0.6429 ( 13340 PWs) bands (ev): -98.1243 -98.1243 -98.1240 -98.1240 -12.7049 -12.7049 -12.3012 -12.3012 -12.1415 -12.1415 -12.0617 -12.0617 -2.8587 -2.8587 -2.5903 -2.5903 -1.8315 -1.8315 -1.6055 -1.6055 -1.3576 -1.3576 -0.2298 -0.2298 -0.0724 -0.0724 0.1556 0.1556 0.4611 0.4611 0.5475 0.5475 0.8064 0.8064 1.0889 1.0889 7.6533 7.6533 7.8645 7.8645 8.2063 8.2063 8.5155 8.5155 k = 0.3534 0.0518 0.6572 ( 13336 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6924 -12.6924 -12.3151 -12.3151 -12.1385 -12.1385 -12.0639 -12.0639 -2.8660 -2.8660 -2.6092 -2.6092 -1.8534 -1.8534 -1.6440 -1.6440 -1.2994 -1.2994 -0.2018 -0.2018 -0.0754 -0.0754 0.1510 0.1510 0.4948 0.4948 0.5672 0.5672 0.8148 0.8148 1.0710 1.0710 7.6335 7.6335 7.8670 7.8670 8.1935 8.1935 8.4539 8.4539 k = 0.3448 0.0632 0.6716 ( 13336 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6794 -12.6794 -12.3296 -12.3296 -12.1353 -12.1353 -12.0662 -12.0662 -2.8713 -2.8713 -2.6282 -2.6282 -1.8742 -1.8742 -1.6820 -1.6820 -1.2372 -1.2372 -0.1780 -0.1780 -0.0828 -0.0828 0.1470 0.1470 0.5235 0.5235 0.5903 0.5903 0.8251 0.8251 1.0529 1.0529 7.6180 7.6180 7.8699 7.8699 8.1798 8.1798 8.3819 8.3819 k = 0.3362 0.0746 0.6860 ( 13350 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6659 -12.6659 -12.3445 -12.3445 -12.1321 -12.1321 -12.0686 -12.0686 -2.8748 -2.8748 -2.6473 -2.6473 -1.8933 -1.8933 -1.7184 -1.7184 -1.1731 -1.1731 -0.1615 -0.1615 -0.0911 -0.0911 0.1437 0.1437 0.5469 0.5469 0.6161 0.6161 0.8369 0.8369 1.0347 1.0347 7.6069 7.6069 7.8732 7.8732 8.1650 8.1650 8.3096 8.3096 k = 0.3276 0.0860 0.7004 ( 13348 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6518 -12.6518 -12.3599 -12.3599 -12.1289 -12.1289 -12.0711 -12.0711 -2.8765 -2.8765 -2.6664 -2.6664 -1.9103 -1.9103 -1.7527 -1.7527 -1.1078 -1.1078 -0.1608 -0.1608 -0.0913 -0.0913 0.1407 0.1407 0.5668 0.5668 0.6427 0.6427 0.8496 0.8496 1.0170 1.0170 7.6002 7.6002 7.8771 7.8771 8.1482 8.1482 8.2393 8.2393 k = 0.3190 0.0975 0.7147 ( 13354 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6373 -12.6373 -12.3756 -12.3756 -12.1255 -12.1255 -12.0737 -12.0737 -2.8763 -2.8763 -2.6853 -2.6853 -1.9250 -1.9250 -1.7848 -1.7848 -1.0420 -1.0420 -0.1791 -0.1791 -0.0794 -0.0794 0.1374 0.1374 0.5846 0.5846 0.6679 0.6679 0.8626 0.8626 1.0001 1.0001 7.5982 7.5982 7.8814 7.8814 8.1280 8.1280 8.1732 8.1732 k = 0.3103 0.1089 0.7291 ( 13352 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6223 -12.6223 -12.3917 -12.3917 -12.1221 -12.1221 -12.0765 -12.0765 -2.8743 -2.8743 -2.7039 -2.7039 -1.9371 -1.9371 -1.8143 -1.8143 -0.9762 -0.9762 -0.2086 -0.2086 -0.0621 -0.0621 0.1330 0.1330 0.6015 0.6015 0.6902 0.6902 0.8755 0.8755 0.9845 0.9845 7.6007 7.6007 7.8865 7.8865 8.0941 8.0941 8.1219 8.1219 k = 0.3017 0.1203 0.7435 ( 13332 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6070 -12.6070 -12.4080 -12.4080 -12.1187 -12.1187 -12.0793 -12.0793 -2.8707 -2.8707 -2.7222 -2.7222 -1.9466 -1.9466 -1.8412 -1.8412 -0.9106 -0.9106 -0.2446 -0.2446 -0.0435 -0.0435 0.1273 0.1273 0.6181 0.6181 0.7084 0.7084 0.8875 0.8875 0.9707 0.9707 7.6078 7.6078 7.8925 7.8925 8.0381 8.0381 8.0945 8.0945 k = 0.2931 0.1317 0.7578 ( 13334 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.5912 -12.5912 -12.4246 -12.4246 -12.1153 -12.1153 -12.0823 -12.0823 -2.8654 -2.8654 -2.7399 -2.7399 -1.9534 -1.9534 -1.8655 -1.8655 -0.8456 -0.8456 -0.2854 -0.2854 -0.0247 -0.0247 0.1199 0.1199 0.6344 0.6344 0.7217 0.7217 0.8983 0.8983 0.9594 0.9594 7.6195 7.6195 7.8996 7.8996 7.9810 7.9810 8.0708 8.0708 k = 0.2845 0.1431 0.7722 ( 13342 PWs) bands (ev): -98.1242 -98.1242 -98.1241 -98.1241 -12.5752 -12.5752 -12.4413 -12.4413 -12.1118 -12.1118 -12.0853 -12.0853 -2.8585 -2.8585 -2.7570 -2.7570 -1.9574 -1.9574 -1.8870 -1.8870 -0.7815 -0.7815 -0.3301 -0.3301 -0.0063 -0.0063 0.1110 0.1110 0.6506 0.6506 0.7295 0.7295 0.9076 0.9076 0.9507 0.9507 7.6358 7.6358 7.9063 7.9063 7.9286 7.9286 8.0474 8.0474 k = 0.2759 0.1545 0.7866 ( 13346 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5589 -12.5589 -12.4582 -12.4582 -12.1084 -12.1084 -12.0884 -12.0884 -2.8502 -2.8502 -2.7733 -2.7733 -1.9586 -1.9586 -1.9058 -1.9058 -0.7185 -0.7185 -0.3781 -0.3781 0.0116 0.0116 0.1005 0.1005 0.6666 0.6666 0.7315 0.7315 0.9155 0.9155 0.9445 0.9445 7.6567 7.6567 7.8737 7.8737 7.9210 7.9210 8.0246 8.0246 k = 0.2672 0.1660 0.8010 ( 13346 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5424 -12.5424 -12.4751 -12.4751 -12.1050 -12.1050 -12.0916 -12.0916 -2.8404 -2.8404 -2.7889 -2.7889 -1.9569 -1.9569 -1.9217 -1.9217 -0.6568 -0.6568 -0.4291 -0.4291 0.0288 0.0288 0.0885 0.0885 0.6821 0.6821 0.7282 0.7282 0.9221 0.9221 0.9400 0.9400 7.6821 7.6821 7.8274 7.8274 7.9329 7.9329 8.0028 8.0028 k = 0.2586 0.1774 0.8153 ( 13350 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5257 -12.5257 -12.4920 -12.4920 -12.1016 -12.1016 -12.0949 -12.0949 -2.8293 -2.8293 -2.8034 -2.8034 -1.9524 -1.9524 -1.9348 -1.9348 -0.5968 -0.5968 -0.4827 -0.4827 0.0452 0.0452 0.0752 0.0752 0.6966 0.6966 0.7206 0.7206 0.9277 0.9277 0.9362 0.9362 7.7120 7.7120 7.7848 7.7848 7.9473 7.9473 7.9825 7.9825 k = 0.2500 0.1888 0.8297 ( 13352 PWs) bands (ev): -98.1241 -98.1241 -98.1241 -98.1241 -12.5089 -12.5089 -12.5089 -12.5089 -12.0982 -12.0982 -12.0982 -12.0982 -2.8169 -2.8169 -2.8169 -2.8169 -1.9451 -1.9451 -1.9451 -1.9451 -0.5387 -0.5387 -0.5387 -0.5387 0.0607 0.0607 0.0607 0.0607 0.7098 0.7098 0.7098 0.7098 0.9323 0.9323 0.9323 0.9323 7.7462 7.7462 7.7462 7.7462 7.9639 7.9639 7.9639 7.9639 k = 0.1426-0.1888 0.8297 ( 13350 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6225 -12.6225 -12.3943 -12.3943 -12.1159 -12.1159 -12.0856 -12.0856 -2.7789 -2.7789 -2.7259 -2.7259 -1.8313 -1.8313 -1.6689 -1.6689 -1.0925 -1.0925 -0.3441 -0.3441 -0.1120 -0.1120 0.0683 0.0683 0.5128 0.5128 0.6682 0.6682 0.8666 0.8666 1.0788 1.0788 7.4740 7.4740 7.6969 7.6969 8.2202 8.2202 8.4607 8.4607 k = 0.1511-0.2001 0.8155 ( 13348 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6362 -12.6362 -12.3777 -12.3777 -12.1165 -12.1165 -12.0879 -12.0879 -2.7709 -2.7709 -2.7097 -2.7097 -1.8334 -1.8334 -1.6432 -1.6432 -1.1239 -1.1239 -0.3527 -0.3527 -0.1149 -0.1149 0.0879 0.0879 0.4853 0.4853 0.6469 0.6469 0.8656 0.8656 1.0810 1.0810 7.4907 7.4907 7.7166 7.7166 8.1876 8.1876 8.4216 8.4216 k = 0.1596-0.2114 0.8013 ( 13356 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6495 -12.6495 -12.3616 -12.3616 -12.1171 -12.1171 -12.0901 -12.0901 -2.7620 -2.7620 -2.6933 -2.6933 -1.8363 -1.8363 -1.6153 -1.6153 -1.1525 -1.1525 -0.3642 -0.3642 -0.1176 -0.1176 0.1076 0.1076 0.4551 0.4551 0.6222 0.6222 0.8642 0.8642 1.0851 1.0851 7.5099 7.5099 7.7350 7.7350 8.1583 8.1583 8.3746 8.3746 k = 0.1681-0.2227 0.7871 ( 13360 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6623 -12.6623 -12.3460 -12.3460 -12.1175 -12.1175 -12.0923 -12.0923 -2.7522 -2.7522 -2.6768 -2.6768 -1.8408 -1.8408 -1.5851 -1.5851 -1.1775 -1.1775 -0.3775 -0.3775 -0.1205 -0.1205 0.1262 0.1262 0.4224 0.4224 0.5948 0.5948 0.8622 0.8622 1.0912 1.0912 7.5313 7.5313 7.7490 7.7490 8.1325 8.1325 8.3321 8.3321 k = 0.1767-0.2340 0.7728 ( 13357 PWs) bands (ev): -98.1242 -98.1242 -98.1240 -98.1240 -12.6746 -12.6746 -12.3311 -12.3311 -12.1178 -12.1178 -12.0945 -12.0945 -2.7415 -2.7415 -2.6603 -2.6603 -1.8475 -1.8475 -1.5527 -1.5527 -1.1980 -1.1980 -0.3919 -0.3919 -0.1240 -0.1240 0.1422 0.1422 0.3876 0.3876 0.5659 0.5659 0.8595 0.8595 1.0992 1.0992 7.5542 7.5542 7.7548 7.7548 8.1105 8.1105 8.3019 8.3019 k = 0.1852-0.2452 0.7586 ( 13360 PWs) bands (ev): -98.1243 -98.1243 -98.1240 -98.1240 -12.6864 -12.6864 -12.3169 -12.3169 -12.1179 -12.1179 -12.0965 -12.0965 -2.7298 -2.7298 -2.6439 -2.6439 -1.8570 -1.8570 -1.5183 -1.5183 -1.2132 -1.2132 -0.4068 -0.4068 -0.1285 -0.1285 0.1542 0.1542 0.3514 0.3514 0.5367 0.5367 0.8564 0.8564 1.1088 1.1088 7.5781 7.5781 7.7489 7.7489 8.0923 8.0923 8.2894 8.2894 k = 0.1937-0.2565 0.7444 ( 13350 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.6976 -12.6976 -12.3035 -12.3035 -12.1179 -12.1179 -12.0985 -12.0985 -2.7172 -2.7172 -2.6279 -2.6279 -1.8697 -1.8697 -1.4819 -1.4819 -1.2225 -1.2225 -0.4220 -0.4220 -0.1344 -0.1344 0.1597 0.1597 0.3155 0.3155 0.5089 0.5089 0.8528 0.8528 1.1195 1.1195 7.6025 7.6025 7.7302 7.7302 8.0777 8.0777 8.2969 8.2969 k = 0.2022-0.2678 0.7302 ( 13356 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7082 -12.7082 -12.2909 -12.2909 -12.1176 -12.1176 -12.1005 -12.1005 -2.7037 -2.7037 -2.6123 -2.6123 -1.8860 -1.8860 -1.4436 -1.4436 -1.2254 -1.2254 -0.4372 -0.4372 -0.1422 -0.1422 0.1553 0.1553 0.2821 0.2821 0.4842 0.4842 0.8490 0.8490 1.1311 1.1311 7.6261 7.6261 7.7009 7.7009 8.0667 8.0667 8.3234 8.3234 k = 0.2108-0.2791 0.7160 ( 13357 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7182 -12.7182 -12.2792 -12.2792 -12.1172 -12.1172 -12.1023 -12.1023 -2.6892 -2.6892 -2.5972 -2.5972 -1.9057 -1.9057 -1.4035 -1.4035 -1.2218 -1.2218 -0.4522 -0.4522 -0.1523 -0.1523 0.1372 0.1372 0.2547 0.2547 0.4643 0.4643 0.8451 0.8451 1.1431 1.1431 7.6413 7.6413 7.6722 7.6722 8.0588 8.0588 8.3656 8.3656 k = 0.2193-0.2904 0.7018 ( 13357 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7275 -12.7275 -12.2684 -12.2684 -12.1165 -12.1165 -12.1041 -12.1041 -2.6739 -2.6739 -2.5827 -2.5827 -1.9287 -1.9287 -1.3619 -1.3619 -1.2116 -1.2116 -0.4669 -0.4669 -0.1653 -0.1653 0.1050 0.1050 0.2335 0.2335 0.4504 0.4504 0.8413 0.8413 1.1553 1.1553 7.6128 7.6128 7.6824 7.6824 8.0539 8.0539 8.4200 8.4200 k = 0.2278-0.3017 0.6876 ( 13351 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7362 -12.7362 -12.2586 -12.2586 -12.1156 -12.1156 -12.1057 -12.1057 -2.6578 -2.6578 -2.5690 -2.5690 -1.9545 -1.9545 -1.3191 -1.3191 -1.1953 -1.1953 -0.4814 -0.4814 -0.1817 -0.1817 0.0626 0.0626 0.2158 0.2158 0.4424 0.4424 0.8376 0.8376 1.1674 1.1674 7.5702 7.5702 7.7045 7.7045 8.0513 8.0513 8.4838 8.4838 k = 0.2364-0.3130 0.6733 ( 13354 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7442 -12.7442 -12.2498 -12.2498 -12.1146 -12.1146 -12.1072 -12.1072 -2.6408 -2.6408 -2.5561 -2.5561 -1.9825 -1.9825 -1.2755 -1.2755 -1.1731 -1.1731 -0.4955 -0.4955 -0.2018 -0.2018 0.0143 0.0143 0.1993 0.1993 0.4394 0.4394 0.8342 0.8342 1.1792 1.1792 7.5270 7.5270 7.7272 7.7272 8.0507 8.0507 8.5548 8.5548 k = 0.2449-0.3243 0.6591 ( 13357 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7515 -12.7515 -12.2420 -12.2420 -12.1133 -12.1133 -12.1086 -12.1086 -2.6232 -2.6232 -2.5441 -2.5441 -2.0119 -2.0119 -1.2315 -1.2315 -1.1454 -1.1454 -0.5096 -0.5096 -0.2256 -0.2256 -0.0373 -0.0373 0.1838 0.1838 0.4400 0.4400 0.8310 0.8310 1.1903 1.1903 7.4854 7.4854 7.7494 7.7494 8.0514 8.0514 8.6313 8.6313 k = 0.2534-0.3356 0.6449 ( 13349 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7581 -12.7581 -12.2353 -12.2353 -12.1119 -12.1119 -12.1098 -12.1098 -2.6049 -2.6049 -2.5331 -2.5331 -2.0422 -2.0422 -1.1879 -1.1879 -1.1124 -1.1124 -0.5237 -0.5237 -0.2529 -0.2529 -0.0904 -0.0904 0.1699 0.1699 0.4428 0.4428 0.8281 0.8281 1.2008 1.2008 7.4465 7.4465 7.7711 7.7711 8.0527 8.0527 8.7112 8.7112 k = 0.2619-0.3469 0.6307 ( 13340 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7639 -12.7639 -12.2295 -12.2295 -12.1111 -12.1111 -12.1103 -12.1103 -2.5863 -2.5863 -2.5232 -2.5232 -2.0727 -2.0727 -1.1455 -1.1455 -1.0747 -1.0747 -0.5381 -0.5381 -0.2831 -0.2831 -0.1437 -0.1437 0.1580 0.1580 0.4468 0.4468 0.8255 0.8255 1.2103 1.2103 7.4110 7.4110 7.7922 7.7922 8.0539 8.0539 8.7591 8.7591 k = 0.2705-0.3581 0.6165 ( 13338 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7690 -12.7690 -12.2246 -12.2246 -12.1120 -12.1120 -12.1088 -12.1088 -2.5676 -2.5676 -2.5143 -2.5143 -2.1026 -2.1026 -1.1047 -1.1047 -1.0331 -1.0331 -0.5531 -0.5531 -0.3155 -0.3155 -0.1954 -0.1954 0.1482 0.1482 0.4512 0.4512 0.8233 0.8233 1.2189 1.2189 7.3795 7.3795 7.8126 7.8126 8.0544 8.0544 8.7323 8.7323 k = 0.2790-0.3694 0.6023 ( 13332 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7733 -12.7733 -12.2207 -12.2207 -12.1129 -12.1129 -12.1073 -12.1073 -2.5493 -2.5493 -2.5064 -2.5064 -2.1313 -2.1313 -1.0658 -1.0658 -0.9888 -0.9888 -0.5691 -0.5691 -0.3497 -0.3497 -0.2436 -0.2436 0.1404 0.1404 0.4555 0.4555 0.8214 0.8214 1.2263 1.2263 7.3523 7.3523 7.8320 7.8320 8.0539 8.0539 8.7027 8.7027 k = 0.2875-0.3807 0.5881 ( 13338 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7768 -12.7768 -12.2175 -12.2175 -12.1136 -12.1136 -12.1060 -12.1060 -2.5322 -2.5322 -2.4993 -2.4993 -2.1577 -2.1577 -1.0296 -1.0296 -0.9438 -0.9438 -0.5863 -0.5863 -0.3849 -0.3849 -0.2857 -0.2857 0.1345 0.1345 0.4593 0.4593 0.8199 0.8199 1.2325 1.2325 7.3298 7.3298 7.8502 7.8502 8.0521 8.0521 8.6762 8.6762 k = 0.2960-0.3920 0.5738 ( 13329 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7796 -12.7796 -12.2152 -12.2152 -12.1141 -12.1141 -12.1049 -12.1049 -2.5177 -2.5177 -2.4927 -2.4927 -2.1807 -2.1807 -0.9972 -0.9972 -0.9004 -0.9004 -0.6041 -0.6041 -0.4203 -0.4203 -0.3191 -0.3191 0.1301 0.1301 0.4625 0.4625 0.8187 0.8187 1.2374 1.2374 7.3120 7.3120 7.8663 7.8663 8.0493 8.0493 8.6543 8.6543 k = 0.3046-0.4033 0.5596 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7816 -12.7816 -12.2135 -12.2135 -12.1145 -12.1145 -12.1040 -12.1040 -2.5074 -2.5074 -2.4863 -2.4863 -2.1990 -2.1990 -0.9706 -0.9706 -0.8619 -0.8619 -0.6213 -0.6213 -0.4526 -0.4526 -0.3427 -0.3427 0.1272 0.1272 0.4648 0.4648 0.8178 0.8178 1.2409 1.2409 7.2993 7.2993 7.8793 7.8793 8.0460 8.0460 8.6380 8.6380 k = 0.3131-0.4146 0.5454 ( 13330 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7828 -12.7828 -12.2125 -12.2125 -12.1148 -12.1148 -12.1035 -12.1035 -2.5018 -2.5018 -2.4809 -2.4809 -2.2110 -2.2110 -0.9528 -0.9528 -0.8337 -0.8337 -0.6348 -0.6348 -0.4763 -0.4763 -0.3565 -0.3565 0.1255 0.1255 0.4663 0.4663 0.8173 0.8173 1.2430 1.2430 7.2916 7.2916 7.8879 7.8879 8.0434 8.0434 8.6280 8.6280 k = 0.3216-0.4259 0.5312 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7832 -12.7832 -12.2122 -12.2122 -12.1148 -12.1148 -12.1033 -12.1033 -2.5001 -2.5001 -2.4787 -2.4787 -2.2152 -2.2152 -0.9464 -0.9464 -0.8230 -0.8230 -0.6402 -0.6402 -0.4852 -0.4852 -0.3610 -0.3610 0.1250 0.1250 0.4668 0.4668 0.8171 0.8171 1.2438 1.2438 7.2890 7.2890 7.8909 7.8909 8.0423 8.0423 8.6247 8.6247 k = 0.6784 0.1414 0.2946 ( 13325 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7832 -12.7832 -12.2122 -12.2122 -12.1148 -12.1148 -12.1033 -12.1033 -2.5001 -2.5001 -2.4787 -2.4787 -2.2152 -2.2152 -0.9464 -0.9464 -0.8230 -0.8230 -0.6402 -0.6402 -0.4852 -0.4852 -0.3610 -0.3610 0.1250 0.1250 0.4668 0.4668 0.8171 0.8171 1.2438 1.2438 7.2890 7.2890 7.8909 7.8909 8.0423 8.0423 8.6247 8.6247 k = 0.6699 0.1526 0.2806 ( 13323 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7829 -12.7829 -12.2128 -12.2128 -12.1103 -12.1103 -12.1084 -12.1084 -2.5083 -2.5083 -2.4836 -2.4836 -2.1984 -2.1984 -0.9302 -0.9302 -0.8151 -0.8151 -0.6241 -0.6241 -0.4927 -0.4927 -0.3434 -0.3434 0.0989 0.0989 0.4565 0.4565 0.8236 0.8236 1.2341 1.2341 7.2521 7.2521 7.8457 7.8457 8.0007 8.0007 8.5754 8.5754 k = 0.6614 0.1639 0.2666 ( 13327 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7831 -12.7831 -12.2133 -12.2133 -12.1136 -12.1136 -12.1052 -12.1052 -2.5201 -2.5201 -2.4861 -2.4861 -2.1807 -2.1807 -0.9138 -0.9138 -0.8080 -0.8080 -0.6084 -0.6084 -0.4971 -0.4971 -0.3253 -0.3253 0.0725 0.0725 0.4479 0.4479 0.8282 0.8282 1.2231 1.2231 7.2163 7.2163 7.8013 7.8013 7.9592 7.9592 8.5159 8.5159 k = 0.6529 0.1751 0.2525 ( 13323 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7838 -12.7838 -12.2136 -12.2136 -12.1186 -12.1186 -12.0998 -12.0998 -2.5329 -2.5329 -2.4884 -2.4884 -2.1623 -2.1623 -0.8974 -0.8974 -0.8017 -0.8017 -0.5933 -0.5933 -0.4983 -0.4983 -0.3070 -0.3070 0.0462 0.0462 0.4408 0.4408 0.8310 0.8310 1.2111 1.2111 7.1820 7.1820 7.7581 7.7581 7.9180 7.9180 8.4499 8.4499 k = 0.6444 0.1864 0.2385 ( 13313 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7847 -12.7847 -12.2138 -12.2138 -12.1237 -12.1237 -12.0942 -12.0942 -2.5460 -2.5460 -2.4913 -2.4913 -2.1432 -2.1432 -0.8810 -0.8810 -0.7960 -0.7960 -0.5789 -0.5789 -0.4963 -0.4963 -0.2888 -0.2888 0.0200 0.0200 0.4351 0.4351 0.8321 0.8321 1.1980 1.1980 7.1492 7.1492 7.7162 7.7162 7.8772 7.8772 8.3806 8.3806 k = 0.6359 0.1976 0.2245 ( 13307 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7860 -12.7860 -12.2139 -12.2139 -12.1287 -12.1287 -12.0883 -12.0883 -2.5589 -2.5589 -2.4949 -2.4949 -2.1237 -2.1237 -0.8649 -0.8649 -0.7910 -0.7910 -0.5652 -0.5652 -0.4916 -0.4916 -0.2708 -0.2708 -0.0057 -0.0057 0.4305 0.4305 0.8318 0.8318 1.1840 1.1840 7.1184 7.1184 7.6757 7.6757 7.8372 7.8372 8.3102 8.3102 k = 0.6274 0.2088 0.2104 ( 13293 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7875 -12.7875 -12.2139 -12.2139 -12.1336 -12.1336 -12.0824 -12.0824 -2.5715 -2.5715 -2.4992 -2.4992 -2.1038 -2.1038 -0.8491 -0.8491 -0.7863 -0.7863 -0.5521 -0.5521 -0.4845 -0.4845 -0.2534 -0.2534 -0.0306 -0.0306 0.4270 0.4270 0.8301 0.8301 1.1694 1.1694 7.0894 7.0894 7.6367 7.6367 7.7979 7.7979 8.2405 8.2405 k = 0.6189 0.2201 0.1964 ( 13291 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7892 -12.7892 -12.2137 -12.2137 -12.1384 -12.1384 -12.0764 -12.0764 -2.5837 -2.5837 -2.5040 -2.5040 -2.0837 -2.0837 -0.8339 -0.8339 -0.7821 -0.7821 -0.5394 -0.5394 -0.4757 -0.4757 -0.2371 -0.2371 -0.0540 -0.0540 0.4244 0.4244 0.8272 0.8272 1.1543 1.1543 7.0626 7.0626 7.5994 7.5994 7.7595 7.7595 8.1727 8.1727 k = 0.6104 0.2313 0.1824 ( 13299 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7910 -12.7910 -12.2134 -12.2134 -12.1432 -12.1432 -12.0705 -12.0705 -2.5954 -2.5954 -2.5094 -2.5094 -2.0636 -2.0636 -0.8193 -0.8193 -0.7781 -0.7781 -0.5270 -0.5270 -0.4658 -0.4658 -0.2226 -0.2226 -0.0753 -0.0753 0.4225 0.4225 0.8233 0.8233 1.1389 1.1389 7.0379 7.0379 7.5640 7.5640 7.7223 7.7223 8.1077 8.1077 k = 0.6019 0.2426 0.1684 ( 13285 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7929 -12.7929 -12.2129 -12.2129 -12.1478 -12.1478 -12.0647 -12.0647 -2.6065 -2.6065 -2.5150 -2.5150 -2.0437 -2.0437 -0.8058 -0.8058 -0.7741 -0.7741 -0.5147 -0.5147 -0.4552 -0.4552 -0.2112 -0.2112 -0.0930 -0.0930 0.4211 0.4211 0.8186 0.8186 1.1233 1.1233 7.0154 7.0154 7.5305 7.5305 7.6864 7.6864 8.0465 8.0465 k = 0.5934 0.2538 0.1543 ( 13293 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7949 -12.7949 -12.2122 -12.2122 -12.1524 -12.1524 -12.0590 -12.0590 -2.6169 -2.6169 -2.5209 -2.5209 -2.0242 -2.0242 -0.7939 -0.7939 -0.7694 -0.7694 -0.5028 -0.5028 -0.4443 -0.4443 -0.2050 -0.2050 -0.1049 -0.1049 0.4202 0.4202 0.8133 0.8133 1.1078 1.1078 6.9952 6.9952 7.4992 7.4992 7.6518 7.6518 7.9894 7.9894 k = 0.5849 0.2651 0.1403 ( 13305 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7968 -12.7968 -12.2114 -12.2114 -12.1568 -12.1568 -12.0536 -12.0536 -2.6266 -2.6266 -2.5269 -2.5269 -2.0053 -2.0053 -0.7846 -0.7846 -0.7633 -0.7633 -0.4914 -0.4914 -0.4334 -0.4334 -0.2060 -0.2060 -0.1091 -0.1091 0.4195 0.4195 0.8077 0.8077 1.0927 1.0927 6.9771 6.9771 7.4701 7.4701 7.6189 7.6189 7.9370 7.9370 k = 0.5765 0.2763 0.1263 ( 13297 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.7987 -12.7987 -12.2104 -12.2104 -12.1611 -12.1611 -12.0486 -12.0486 -2.6355 -2.6355 -2.5327 -2.5327 -1.9873 -1.9873 -0.7785 -0.7785 -0.7552 -0.7552 -0.4810 -0.4810 -0.4224 -0.4224 -0.2134 -0.2134 -0.1062 -0.1062 0.4190 0.4190 0.8018 0.8018 1.0780 1.0780 6.9611 6.9611 7.4433 7.4433 7.5877 7.5877 7.8896 7.8896 k = 0.5680 0.2876 0.1122 ( 13297 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8004 -12.8004 -12.2092 -12.2092 -12.1652 -12.1652 -12.0439 -12.0439 -2.6436 -2.6436 -2.5384 -2.5384 -1.9703 -1.9703 -0.7747 -0.7747 -0.7459 -0.7459 -0.4719 -0.4719 -0.4112 -0.4112 -0.2246 -0.2246 -0.0990 -0.0990 0.4186 0.4186 0.7960 0.7960 1.0641 1.0641 6.9472 6.9472 7.4191 7.4191 7.5586 7.5586 7.8473 7.8473 k = 0.5595 0.2988 0.0982 ( 13283 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8021 -12.8021 -12.2079 -12.2079 -12.1692 -12.1692 -12.0396 -12.0396 -2.6508 -2.6508 -2.5437 -2.5437 -1.9546 -1.9546 -0.7722 -0.7722 -0.7366 -0.7366 -0.4647 -0.4647 -0.3998 -0.3998 -0.2370 -0.2370 -0.0899 -0.0899 0.4182 0.4182 0.7904 0.7904 1.0512 1.0512 6.9353 6.9353 7.3974 7.3974 7.5317 7.5317 7.8103 7.8103 k = 0.5510 0.3101 0.0842 ( 13287 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8036 -12.8036 -12.2064 -12.2064 -12.1731 -12.1731 -12.0359 -12.0359 -2.6572 -2.6572 -2.5485 -2.5485 -1.9405 -1.9405 -0.7704 -0.7704 -0.7279 -0.7279 -0.4595 -0.4595 -0.3880 -0.3880 -0.2492 -0.2492 -0.0806 -0.0806 0.4178 0.4178 0.7852 0.7852 1.0394 1.0394 6.9253 6.9253 7.3784 7.3784 7.5076 7.5076 7.7785 7.7785 k = 0.5425 0.3213 0.0701 ( 13283 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8049 -12.8049 -12.2047 -12.2047 -12.1768 -12.1768 -12.0326 -12.0326 -2.6626 -2.6626 -2.5528 -2.5528 -1.9280 -1.9280 -0.7691 -0.7691 -0.7202 -0.7202 -0.4561 -0.4561 -0.3762 -0.3762 -0.2607 -0.2607 -0.0719 -0.0719 0.4174 0.4174 0.7805 0.7805 1.0291 1.0291 6.9171 6.9171 7.3622 7.3622 7.4864 7.4864 7.7520 7.7520 k = 0.5340 0.3326 0.0561 ( 13276 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8060 -12.8060 -12.2028 -12.2028 -12.1803 -12.1803 -12.0299 -12.0299 -2.6670 -2.6670 -2.5564 -2.5564 -1.9175 -1.9175 -0.7681 -0.7681 -0.7137 -0.7137 -0.4543 -0.4543 -0.3644 -0.3644 -0.2714 -0.2714 -0.0643 -0.0643 0.4170 0.4170 0.7766 0.7766 1.0203 1.0203 6.9105 6.9105 7.3489 7.3489 7.4685 7.4685 7.7304 7.7304 k = 0.5255 0.3438 0.0421 ( 13284 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8069 -12.8069 -12.2008 -12.2008 -12.1836 -12.1836 -12.0277 -12.0277 -2.6705 -2.6705 -2.5593 -2.5593 -1.9092 -1.9092 -0.7674 -0.7674 -0.7085 -0.7085 -0.4536 -0.4536 -0.3532 -0.3532 -0.2811 -0.2811 -0.0581 -0.0581 0.4166 0.4166 0.7734 0.7734 1.0132 1.0132 6.9055 6.9055 7.3384 7.3384 7.4543 7.4543 7.7139 7.7139 k = 0.5170 0.3551 0.0281 ( 13302 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8075 -12.8075 -12.1987 -12.1987 -12.1866 -12.1866 -12.0262 -12.0262 -2.6730 -2.6730 -2.5614 -2.5614 -1.9031 -1.9031 -0.7669 -0.7669 -0.7047 -0.7047 -0.4534 -0.4534 -0.3429 -0.3429 -0.2899 -0.2899 -0.0536 -0.0536 0.4163 0.4163 0.7710 0.7710 1.0081 1.0081 6.9020 6.9020 7.3309 7.3309 7.4439 7.4439 7.7021 7.7021 k = 0.5085 0.3663 0.0140 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8079 -12.8079 -12.1966 -12.1966 -12.1893 -12.1893 -12.0252 -12.0252 -2.6745 -2.6745 -2.5626 -2.5626 -1.8994 -1.8994 -0.7666 -0.7666 -0.7024 -0.7024 -0.4535 -0.4535 -0.3348 -0.3348 -0.2970 -0.2970 -0.0508 -0.0508 0.4162 0.4162 0.7696 0.7696 1.0050 1.0050 6.8999 6.8999 7.3264 7.3264 7.4376 7.4376 7.6951 7.6951 k = 0.5000 0.3776 0.0000 ( 13328 PWs) bands (ev): -98.1243 -98.1243 -98.1239 -98.1239 -12.8080 -12.8080 -12.1954 -12.1954 -12.1906 -12.1906 -12.0249 -12.0249 -2.6750 -2.6750 -2.5631 -2.5631 -1.8982 -1.8982 -0.7665 -0.7665 -0.7016 -0.7016 -0.4536 -0.4536 -0.3313 -0.3313 -0.3001 -0.3001 -0.0498 -0.0498 0.4161 0.4161 0.7691 0.7691 1.0039 1.0039 6.8993 6.8993 7.3249 7.3249 7.4355 7.4355 7.6928 7.6928 Writing output data file BeBr2.save init_run : 0.72s CPU 0.88s WALL ( 1 calls) electrons : 285.79s CPU 288.48s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.14s CPU 0.18s WALL ( 1 calls) Called by electrons: c_bands : 285.79s CPU 288.47s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.05s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.05s WALL ( 1 calls) newd : 0.04s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.11s WALL ( 324 calls) cegterg : 260.77s CPU 262.46s WALL ( 401 calls) Called by sum_band: Called by *egterg: h_psi : 200.02s CPU 201.49s WALL ( 6842 calls) s_psi : 3.48s CPU 3.36s WALL ( 6842 calls) g_psi : 0.60s CPU 0.62s WALL ( 6117 calls) cdiaghg : 39.88s CPU 40.32s WALL ( 6441 calls) cegterg:over : 13.18s CPU 13.16s WALL ( 6117 calls) cegterg:upda : 14.10s CPU 14.36s WALL ( 6117 calls) cegterg:last : 6.67s CPU 6.62s WALL ( 1165 calls) cdiaghg:chol : 2.40s CPU 2.41s WALL ( 6441 calls) cdiaghg:inve : 1.27s CPU 1.38s WALL ( 6441 calls) cdiaghg:para : 2.44s CPU 2.41s WALL ( 12882 calls) Called by h_psi: h_psi:vloc : 189.06s CPU 190.31s WALL ( 6842 calls) h_psi:vnl : 10.27s CPU 10.52s WALL ( 6842 calls) add_vuspsi : 3.50s CPU 3.70s WALL ( 6842 calls) General routines calbec : 6.72s CPU 6.80s WALL ( 6842 calls) fft : 0.05s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 162.78s CPU 163.60s WALL ( 647200 calls) interpolate : 0.02s CPU 0.02s WALL ( 4 calls) davcio : 0.34s CPU 0.52s WALL ( 648 calls) Parallel routines fft_scatter : 53.15s CPU 53.07s WALL ( 647223 calls) PWSCF : 5m14.70s CPU 5m34.47s WALL This run was terminated on: 14:32:42 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=