Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 19:44:28 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: ./CaxNiAsx2.save/ file Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S renormalized file Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D 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 61 41 12 1170 638 102 Max 62 42 13 1173 652 104 Sum 2217 1487 433 42169 23109 3693 bravais-lattice index = 14 lattice parameter (alat) = 10.8088 a.u. unit-cell volume = 548.7252 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 274.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.808820 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.748948 celldm(5)= -0.748948 celldm(6)= 0.497895 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.497895 0.867237 0.000000 ) a(3) = ( -0.748948 -0.433619 0.501051 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.574117 0.997902 ) b(2) = ( 0.000000 1.153087 0.997902 ) b(3) = ( 0.000000 0.000000 1.995804 ) PseudoPot. # 1 for Ca read from file: /users/gautes/Pseudo/Ca.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 60bd286d514994a6a955285ae841e6ef Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1169 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ni read from file: /users/gautes/Pseudo/Ni.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 9d95a5a85785a32f0d1fefdc4874c578 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1195 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 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 Ca 10.00 40.07800 Ca( 1.00) Ni 10.00 58.69340 Ni( 1.00) As 5.00 74.92160 As( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 358 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0000000 0.0181437), wk = 0.0027933 k( 3) = ( 0.0000000 0.0000000 0.0362873), wk = 0.0027933 k( 4) = ( 0.0000000 0.0000000 0.0544310), wk = 0.0027933 k( 5) = ( 0.0000000 0.0000000 0.0725747), wk = 0.0027933 k( 6) = ( 0.0000000 0.0000000 0.0907184), wk = 0.0027933 k( 7) = ( 0.0000000 0.0000000 0.1088620), wk = 0.0027933 k( 8) = ( 0.0000000 0.0000000 0.1270057), wk = 0.0027933 k( 9) = ( 0.0000000 0.0000000 0.1451494), wk = 0.0027933 k( 10) = ( 0.0000000 0.0000000 0.1632930), wk = 0.0027933 k( 11) = ( 0.0000000 0.0000000 0.1814367), wk = 0.0027933 k( 12) = ( 0.0000000 0.0000000 0.1995804), wk = 0.0027933 k( 13) = ( 0.0000000 0.0000000 0.2177241), wk = 0.0027933 k( 14) = ( 0.0000000 0.0000000 0.2358677), wk = 0.0027933 k( 15) = ( 0.0000000 0.0000000 0.2540114), wk = 0.0027933 k( 16) = ( 0.0000000 0.0000000 0.2721551), wk = 0.0027933 k( 17) = ( 0.0000000 0.0000000 0.2902988), wk = 0.0027933 k( 18) = ( 0.0000000 0.0000000 0.3084424), wk = 0.0027933 k( 19) = ( 0.0000000 0.0000000 0.3265861), wk = 0.0027933 k( 20) = ( 0.0000000 0.0000000 0.3447298), wk = 0.0027933 k( 21) = ( 0.0000000 0.0000000 0.3628734), wk = 0.0027933 k( 22) = ( 0.0000000 0.0000000 0.3810171), wk = 0.0027933 k( 23) = ( 0.0000000 0.0000000 0.3991608), wk = 0.0027933 k( 24) = ( 0.0000000 0.0000000 0.4173044), wk = 0.0027933 k( 25) = ( 0.0000000 0.0000000 0.4354481), wk = 0.0027933 k( 26) = ( 0.0000000 0.0000000 0.4535918), wk = 0.0027933 k( 27) = ( 0.0000000 0.0000000 0.4717355), wk = 0.0027933 k( 28) = ( 0.0000000 0.0000000 0.4898791), wk = 0.0027933 k( 29) = ( 0.0000000 0.0000000 0.5080228), wk = 0.0027933 k( 30) = ( 0.0000000 0.0000000 0.5261665), wk = 0.0027933 k( 31) = ( 0.0000000 0.0000000 0.5443101), wk = 0.0027933 k( 32) = ( 0.0000000 0.0000000 0.5624538), wk = 0.0027933 k( 33) = ( 0.0000000 0.0000000 0.5805975), wk = 0.0027933 k( 34) = ( 0.0000000 0.0000000 0.5987412), wk = 0.0027933 k( 35) = ( 0.0000000 0.0000000 0.6168848), wk = 0.0027933 k( 36) = ( 0.0000000 0.0000000 0.6350285), wk = 0.0027933 k( 37) = ( 0.0000000 0.0000000 0.6531722), wk = 0.0027933 k( 38) = ( 0.0000000 0.0000000 0.6713159), wk = 0.0027933 k( 39) = ( 0.0000000 0.0000000 0.6894595), wk = 0.0027933 k( 40) = ( 0.0000000 0.0000000 0.7076032), wk = 0.0027933 k( 41) = ( 0.0000000 0.0000000 0.7257469), wk = 0.0027933 k( 42) = ( 0.0000000 0.0000000 0.7438905), wk = 0.0027933 k( 43) = ( 0.0000000 0.0000000 0.7620342), wk = 0.0027933 k( 44) = ( 0.0000000 0.0000000 0.7801779), wk = 0.0027933 k( 45) = ( 0.0000000 0.0000000 0.7983215), wk = 0.0027933 k( 46) = ( 0.0000000 0.0000000 0.8164652), wk = 0.0027933 k( 47) = ( 0.0000000 0.0000000 0.8346089), wk = 0.0027933 k( 48) = ( 0.0000000 0.0000000 0.8527526), wk = 0.0027933 k( 49) = ( 0.0000000 0.0000000 0.8708962), wk = 0.0027933 k( 50) = ( 0.0000000 0.0000000 0.8890399), wk = 0.0027933 k( 51) = ( 0.0000000 0.0000000 0.9071836), wk = 0.0027933 k( 52) = ( 0.0000000 0.0000000 0.9253272), wk = 0.0027933 k( 53) = ( 0.0000000 0.0000000 0.9434709), wk = 0.0027933 k( 54) = ( 0.0000000 0.0000000 0.9616146), wk = 0.0027933 k( 55) = ( 0.0000000 0.0000000 0.9797583), wk = 0.0027933 k( 56) = ( 0.0000000 0.0000000 0.9979019), wk = 0.0027933 k( 57) = ( 0.0000000 0.0000000 0.9979019), wk = 0.0027933 k( 58) = ( -0.0083802 0.0144743 0.9979019), wk = 0.0027933 k( 59) = ( -0.0167603 0.0289485 0.9979019), wk = 0.0027933 k( 60) = ( -0.0251405 0.0434228 0.9979019), wk = 0.0027933 k( 61) = ( -0.0335207 0.0578970 0.9979019), wk = 0.0027933 k( 62) = ( -0.0419009 0.0723713 0.9979019), wk = 0.0027933 k( 63) = ( -0.0502810 0.0868456 0.9979019), wk = 0.0027933 k( 64) = ( -0.0586612 0.1013198 0.9979019), wk = 0.0027933 k( 65) = ( -0.0670414 0.1157941 0.9979019), wk = 0.0027933 k( 66) = ( -0.0754215 0.1302684 0.9979019), wk = 0.0027933 k( 67) = ( -0.0838017 0.1447426 0.9979019), wk = 0.0027933 k( 68) = ( -0.0838017 0.1447426 0.9979019), wk = 0.0027933 k( 69) = ( -0.0901077 0.1556344 0.9853163), wk = 0.0027933 k( 70) = ( -0.0964138 0.1665262 0.9727307), wk = 0.0027933 k( 71) = ( -0.1027198 0.1774180 0.9601451), wk = 0.0027933 k( 72) = ( -0.1090258 0.1883098 0.9475595), wk = 0.0027933 k( 73) = ( -0.1153319 0.1992016 0.9349739), wk = 0.0027933 k( 74) = ( -0.1216379 0.2100935 0.9223883), wk = 0.0027933 k( 75) = ( -0.1279439 0.2209853 0.9098027), wk = 0.0027933 k( 76) = ( -0.1342500 0.2318771 0.8972171), wk = 0.0027933 k( 77) = ( -0.1405560 0.2427689 0.8846315), wk = 0.0027933 k( 78) = ( -0.1468620 0.2536607 0.8720458), wk = 0.0027933 k( 79) = ( -0.1531681 0.2645525 0.8594602), wk = 0.0027933 k( 80) = ( -0.1594741 0.2754443 0.8468746), wk = 0.0027933 k( 81) = ( -0.1657801 0.2863361 0.8342890), wk = 0.0027933 k( 82) = ( -0.1720862 0.2972279 0.8217034), wk = 0.0027933 k( 83) = ( -0.1783922 0.3081197 0.8091178), wk = 0.0027933 k( 84) = ( -0.1846983 0.3190115 0.7965322), wk = 0.0027933 k( 85) = ( -0.1910043 0.3299033 0.7839466), wk = 0.0027933 k( 86) = ( -0.1973103 0.3407952 0.7713610), wk = 0.0027933 k( 87) = ( -0.2036164 0.3516870 0.7587754), wk = 0.0027933 k( 88) = ( -0.2099224 0.3625788 0.7461898), wk = 0.0027933 k( 89) = ( -0.2162284 0.3734706 0.7336042), wk = 0.0027933 k( 90) = ( -0.2225345 0.3843624 0.7210185), wk = 0.0027933 k( 91) = ( -0.2288405 0.3952542 0.7084329), wk = 0.0027933 k( 92) = ( -0.2351465 0.4061460 0.6958473), wk = 0.0027933 k( 93) = ( -0.2414526 0.4170378 0.6832617), wk = 0.0027933 k( 94) = ( -0.2477586 0.4279296 0.6706761), wk = 0.0027933 k( 95) = ( -0.2540646 0.4388214 0.6580905), wk = 0.0027933 k( 96) = ( -0.2603707 0.4497132 0.6455049), wk = 0.0027933 k( 97) = ( -0.2666767 0.4606050 0.6329193), wk = 0.0027933 k( 98) = ( -0.2729827 0.4714968 0.6203337), wk = 0.0027933 k( 99) = ( -0.2792888 0.4823887 0.6077481), wk = 0.0027933 k( 100) = ( -0.2855948 0.4932805 0.5951624), wk = 0.0027933 k( 101) = ( -0.2919008 0.5041723 0.5825768), wk = 0.0027933 k( 102) = ( -0.2919008 0.5041723 0.5825768), wk = 0.0027933 k( 103) = ( -0.2855552 0.4932120 0.5699121), wk = 0.0027933 k( 104) = ( -0.2792095 0.4822517 0.5572474), wk = 0.0027933 k( 105) = ( -0.2728638 0.4712915 0.5445827), wk = 0.0027933 k( 106) = ( -0.2665182 0.4603312 0.5319180), wk = 0.0027933 k( 107) = ( -0.2601725 0.4493709 0.5192533), wk = 0.0027933 k( 108) = ( -0.2538268 0.4384107 0.5065886), wk = 0.0027933 k( 109) = ( -0.2474812 0.4274504 0.4939238), wk = 0.0027933 k( 110) = ( -0.2411355 0.4164901 0.4812591), wk = 0.0027933 k( 111) = ( -0.2347898 0.4055299 0.4685944), wk = 0.0027933 k( 112) = ( -0.2284441 0.3945696 0.4559297), wk = 0.0027933 k( 113) = ( -0.2220985 0.3836093 0.4432650), wk = 0.0027933 k( 114) = ( -0.2157528 0.3726491 0.4306003), wk = 0.0027933 k( 115) = ( -0.2094071 0.3616888 0.4179356), wk = 0.0027933 k( 116) = ( -0.2030615 0.3507285 0.4052708), wk = 0.0027933 k( 117) = ( -0.1967158 0.3397683 0.3926061), wk = 0.0027933 k( 118) = ( -0.1903701 0.3288080 0.3799414), wk = 0.0027933 k( 119) = ( -0.1840245 0.3178477 0.3672767), wk = 0.0027933 k( 120) = ( -0.1776788 0.3068875 0.3546120), wk = 0.0027933 k( 121) = ( -0.1713331 0.2959272 0.3419473), wk = 0.0027933 k( 122) = ( -0.1649874 0.2849669 0.3292826), wk = 0.0027933 k( 123) = ( -0.1586418 0.2740067 0.3166179), wk = 0.0027933 k( 124) = ( -0.1522961 0.2630464 0.3039531), wk = 0.0027933 k( 125) = ( -0.1459504 0.2520861 0.2912884), wk = 0.0027933 k( 126) = ( -0.1396047 0.2411259 0.2786237), wk = 0.0027933 k( 127) = ( -0.1332591 0.2301656 0.2659590), wk = 0.0027933 k( 128) = ( -0.1269134 0.2192053 0.2532943), wk = 0.0027933 k( 129) = ( -0.1205677 0.2082451 0.2406296), wk = 0.0027933 k( 130) = ( -0.1142221 0.1972848 0.2279648), wk = 0.0027933 k( 131) = ( -0.1078764 0.1863245 0.2153001), wk = 0.0027933 k( 132) = ( -0.1015307 0.1753643 0.2026354), wk = 0.0027933 k( 133) = ( -0.0951851 0.1644040 0.1899707), wk = 0.0027933 k( 134) = ( -0.0888394 0.1534437 0.1773060), wk = 0.0027933 k( 135) = ( -0.0824937 0.1424835 0.1646413), wk = 0.0027933 k( 136) = ( -0.0761480 0.1315232 0.1519766), wk = 0.0027933 k( 137) = ( -0.0698024 0.1205629 0.1393119), wk = 0.0027933 k( 138) = ( -0.0634567 0.1096027 0.1266471), wk = 0.0027933 k( 139) = ( -0.0571110 0.0986424 0.1139824), wk = 0.0027933 k( 140) = ( -0.0507654 0.0876821 0.1013177), wk = 0.0027933 k( 141) = ( -0.0444197 0.0767219 0.0886530), wk = 0.0027933 k( 142) = ( -0.0380740 0.0657616 0.0759883), wk = 0.0027933 k( 143) = ( -0.0317284 0.0548013 0.0633236), wk = 0.0027933 k( 144) = ( -0.0253827 0.0438411 0.0506589), wk = 0.0027933 k( 145) = ( -0.0190370 0.0328808 0.0379941), wk = 0.0027933 k( 146) = ( -0.0126913 0.0219205 0.0253294), wk = 0.0027933 k( 147) = ( -0.0063457 0.0109603 0.0126647), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 150) = ( 0.0156250 0.0090464 -0.0000000), wk = 0.0027933 k( 151) = ( 0.0312500 0.0180928 -0.0000000), wk = 0.0027933 k( 152) = ( 0.0468750 0.0271392 -0.0000000), wk = 0.0027933 k( 153) = ( 0.0625000 0.0361857 -0.0000000), wk = 0.0027933 k( 154) = ( 0.0781250 0.0452321 -0.0000000), wk = 0.0027933 k( 155) = ( 0.0937500 0.0542785 -0.0000000), wk = 0.0027933 k( 156) = ( 0.1093750 0.0633249 -0.0000000), wk = 0.0027933 k( 157) = ( 0.1250000 0.0723713 -0.0000000), wk = 0.0027933 k( 158) = ( 0.1406250 0.0814177 -0.0000000), wk = 0.0027933 k( 159) = ( 0.1562500 0.0904641 -0.0000000), wk = 0.0027933 k( 160) = ( 0.1718750 0.0995105 -0.0000000), wk = 0.0027933 k( 161) = ( 0.1875000 0.1085570 -0.0000000), wk = 0.0027933 k( 162) = ( 0.2031250 0.1176034 -0.0000000), wk = 0.0027933 k( 163) = ( 0.2187500 0.1266498 -0.0000000), wk = 0.0027933 k( 164) = ( 0.2343750 0.1356962 -0.0000000), wk = 0.0027933 k( 165) = ( 0.2500000 0.1447426 -0.0000000), wk = 0.0027933 k( 166) = ( 0.2656250 0.1537890 -0.0000000), wk = 0.0027933 k( 167) = ( 0.2812500 0.1628354 -0.0000000), wk = 0.0027933 k( 168) = ( 0.2968750 0.1718819 -0.0000000), wk = 0.0027933 k( 169) = ( 0.3125000 0.1809283 -0.0000000), wk = 0.0027933 k( 170) = ( 0.3281250 0.1899747 -0.0000000), wk = 0.0027933 k( 171) = ( 0.3437500 0.1990211 -0.0000000), wk = 0.0027933 k( 172) = ( 0.3593750 0.2080675 -0.0000000), wk = 0.0027933 k( 173) = ( 0.3750000 0.2171139 -0.0000000), wk = 0.0027933 k( 174) = ( 0.3906250 0.2261603 -0.0000000), wk = 0.0027933 k( 175) = ( 0.4062500 0.2352067 -0.0000000), wk = 0.0027933 k( 176) = ( 0.4218750 0.2442532 -0.0000000), wk = 0.0027933 k( 177) = ( 0.4375000 0.2532996 -0.0000000), wk = 0.0027933 k( 178) = ( 0.4531250 0.2623460 -0.0000000), wk = 0.0027933 k( 179) = ( 0.4687500 0.2713924 -0.0000000), wk = 0.0027933 k( 180) = ( 0.4843750 0.2804388 -0.0000000), wk = 0.0027933 k( 181) = ( 0.5000000 0.2894852 -0.0000000), wk = 0.0027933 k( 182) = ( 0.5000000 0.2894852 -0.0000000), wk = 0.0027933 k( 183) = ( 0.4936940 0.3003770 0.0125856), wk = 0.0027933 k( 184) = ( 0.4873879 0.3112688 0.0251712), wk = 0.0027933 k( 185) = ( 0.4810819 0.3221606 0.0377568), wk = 0.0027933 k( 186) = ( 0.4747759 0.3330525 0.0503424), wk = 0.0027933 k( 187) = ( 0.4684698 0.3439443 0.0629280), wk = 0.0027933 k( 188) = ( 0.4621638 0.3548361 0.0755137), wk = 0.0027933 k( 189) = ( 0.4558578 0.3657279 0.0880993), wk = 0.0027933 k( 190) = ( 0.4495517 0.3766197 0.1006849), wk = 0.0027933 k( 191) = ( 0.4432457 0.3875115 0.1132705), wk = 0.0027933 k( 192) = ( 0.4369397 0.3984033 0.1258561), wk = 0.0027933 k( 193) = ( 0.4306336 0.4092951 0.1384417), wk = 0.0027933 k( 194) = ( 0.4243276 0.4201869 0.1510273), wk = 0.0027933 k( 195) = ( 0.4180216 0.4310787 0.1636129), wk = 0.0027933 k( 196) = ( 0.4117155 0.4419705 0.1761985), wk = 0.0027933 k( 197) = ( 0.4054095 0.4528623 0.1887841), wk = 0.0027933 k( 198) = ( 0.3991034 0.4637542 0.2013697), wk = 0.0027933 k( 199) = ( 0.3927974 0.4746460 0.2139553), wk = 0.0027933 k( 200) = ( 0.3864914 0.4855378 0.2265410), wk = 0.0027933 k( 201) = ( 0.3801853 0.4964296 0.2391266), wk = 0.0027933 k( 202) = ( 0.3738793 0.5073214 0.2517122), wk = 0.0027933 k( 203) = ( 0.3675733 0.5182132 0.2642978), wk = 0.0027933 k( 204) = ( 0.3612672 0.5291050 0.2768834), wk = 0.0027933 k( 205) = ( 0.3549612 0.5399968 0.2894690), wk = 0.0027933 k( 206) = ( 0.3486552 0.5508886 0.3020546), wk = 0.0027933 k( 207) = ( 0.3423491 0.5617804 0.3146402), wk = 0.0027933 k( 208) = ( 0.3360431 0.5726722 0.3272258), wk = 0.0027933 k( 209) = ( 0.3297371 0.5835640 0.3398114), wk = 0.0027933 k( 210) = ( 0.3234310 0.5944558 0.3523971), wk = 0.0027933 k( 211) = ( 0.3171250 0.6053476 0.3649827), wk = 0.0027933 k( 212) = ( 0.3108189 0.6162395 0.3775683), wk = 0.0027933 k( 213) = ( 0.3045129 0.6271313 0.3901539), wk = 0.0027933 k( 214) = ( 0.2982069 0.6380231 0.4027395), wk = 0.0027933 k( 215) = ( 0.2919008 0.6489149 0.4153251), wk = 0.0027933 k( 216) = ( 0.2919008 0.6489149 0.4153251), wk = 0.0027933 k( 217) = ( 0.2756841 0.6448943 0.4199710), wk = 0.0027933 k( 218) = ( 0.2594674 0.6408736 0.4246169), wk = 0.0027933 k( 219) = ( 0.2432507 0.6368530 0.4292627), wk = 0.0027933 k( 220) = ( 0.2270340 0.6328324 0.4339086), wk = 0.0027933 k( 221) = ( 0.2108173 0.6288117 0.4385545), wk = 0.0027933 k( 222) = ( 0.1946006 0.6247911 0.4432004), wk = 0.0027933 k( 223) = ( 0.1783839 0.6207705 0.4478463), wk = 0.0027933 k( 224) = ( 0.1621671 0.6167499 0.4524921), wk = 0.0027933 k( 225) = ( 0.1459504 0.6127292 0.4571380), wk = 0.0027933 k( 226) = ( 0.1297337 0.6087086 0.4617839), wk = 0.0027933 k( 227) = ( 0.1135170 0.6046880 0.4664298), wk = 0.0027933 k( 228) = ( 0.0973003 0.6006673 0.4710757), wk = 0.0027933 k( 229) = ( 0.0810836 0.5966467 0.4757216), wk = 0.0027933 k( 230) = ( 0.0648669 0.5926261 0.4803674), wk = 0.0027933 k( 231) = ( 0.0486501 0.5886055 0.4850133), wk = 0.0027933 k( 232) = ( 0.0324334 0.5845848 0.4896592), wk = 0.0027933 k( 233) = ( 0.0162167 0.5805642 0.4943051), wk = 0.0027933 k( 234) = ( 0.0000000 0.5765436 0.4989510), wk = 0.0027933 k( 235) = ( 0.0000000 0.5765436 0.4989510), wk = 0.0027933 k( 236) = ( 0.0064103 0.5654717 0.5117446), wk = 0.0027933 k( 237) = ( 0.0128205 0.5543999 0.5245382), wk = 0.0027933 k( 238) = ( 0.0192308 0.5433281 0.5373318), wk = 0.0027933 k( 239) = ( 0.0256410 0.5322563 0.5501254), wk = 0.0027933 k( 240) = ( 0.0320513 0.5211845 0.5629190), wk = 0.0027933 k( 241) = ( 0.0384615 0.5101127 0.5757127), wk = 0.0027933 k( 242) = ( 0.0448718 0.4990408 0.5885063), wk = 0.0027933 k( 243) = ( 0.0512821 0.4879690 0.6012999), wk = 0.0027933 k( 244) = ( 0.0576923 0.4768972 0.6140935), wk = 0.0027933 k( 245) = ( 0.0641026 0.4658254 0.6268871), wk = 0.0027933 k( 246) = ( 0.0705128 0.4547536 0.6396807), wk = 0.0027933 k( 247) = ( 0.0769231 0.4436817 0.6524743), wk = 0.0027933 k( 248) = ( 0.0833333 0.4326099 0.6652679), wk = 0.0027933 k( 249) = ( 0.0897436 0.4215381 0.6780616), wk = 0.0027933 k( 250) = ( 0.0961538 0.4104663 0.6908552), wk = 0.0027933 k( 251) = ( 0.1025641 0.3993945 0.7036488), wk = 0.0027933 k( 252) = ( 0.1089744 0.3883226 0.7164424), wk = 0.0027933 k( 253) = ( 0.1153846 0.3772508 0.7292360), wk = 0.0027933 k( 254) = ( 0.1217949 0.3661790 0.7420296), wk = 0.0027933 k( 255) = ( 0.1282051 0.3551072 0.7548233), wk = 0.0027933 k( 256) = ( 0.1346154 0.3440354 0.7676169), wk = 0.0027933 k( 257) = ( 0.1410256 0.3329635 0.7804105), wk = 0.0027933 k( 258) = ( 0.1474359 0.3218917 0.7932041), wk = 0.0027933 k( 259) = ( 0.1538461 0.3108199 0.8059977), wk = 0.0027933 k( 260) = ( 0.1602564 0.2997481 0.8187913), wk = 0.0027933 k( 261) = ( 0.1666667 0.2886763 0.8315850), wk = 0.0027933 k( 262) = ( 0.1730769 0.2776045 0.8443786), wk = 0.0027933 k( 263) = ( 0.1794872 0.2665326 0.8571722), wk = 0.0027933 k( 264) = ( 0.1858974 0.2554608 0.8699658), wk = 0.0027933 k( 265) = ( 0.1923077 0.2443890 0.8827594), wk = 0.0027933 k( 266) = ( 0.1987180 0.2333172 0.8955530), wk = 0.0027933 k( 267) = ( 0.2051282 0.2222453 0.9083466), wk = 0.0027933 k( 268) = ( 0.2115385 0.2111735 0.9211402), wk = 0.0027933 k( 269) = ( 0.2179487 0.2001017 0.9339339), wk = 0.0027933 k( 270) = ( 0.2243590 0.1890299 0.9467275), wk = 0.0027933 k( 271) = ( 0.2307692 0.1779581 0.9595211), wk = 0.0027933 k( 272) = ( 0.2371795 0.1668862 0.9723147), wk = 0.0027933 k( 273) = ( 0.2435897 0.1558144 0.9851083), wk = 0.0027933 k( 274) = ( 0.2500000 0.1447426 0.9979019), wk = 0.0027933 k( 275) = ( 0.2500000 0.1447426 0.9979019), wk = 0.0027933 k( 276) = ( 0.2631579 0.1523606 0.9890992), wk = 0.0027933 k( 277) = ( 0.2763158 0.1599787 0.9802965), wk = 0.0027933 k( 278) = ( 0.2894737 0.1675967 0.9714938), wk = 0.0027933 k( 279) = ( 0.3026316 0.1752147 0.9626910), wk = 0.0027933 k( 280) = ( 0.3157895 0.1828328 0.9538883), wk = 0.0027933 k( 281) = ( 0.3289474 0.1904508 0.9450856), wk = 0.0027933 k( 282) = ( 0.3421053 0.1980688 0.9362829), wk = 0.0027933 k( 283) = ( 0.3552632 0.2056869 0.9274802), wk = 0.0027933 k( 284) = ( 0.3684211 0.2133049 0.9186774), wk = 0.0027933 k( 285) = ( 0.3815789 0.2209229 0.9098747), wk = 0.0027933 k( 286) = ( 0.3947368 0.2285410 0.9010720), wk = 0.0027933 k( 287) = ( 0.4078947 0.2361590 0.8922692), wk = 0.0027933 k( 288) = ( 0.4210526 0.2437770 0.8834665), wk = 0.0027933 k( 289) = ( 0.4342105 0.2513951 0.8746638), wk = 0.0027933 k( 290) = ( 0.4473684 0.2590131 0.8658611), wk = 0.0027933 k( 291) = ( 0.4605263 0.2666311 0.8570584), wk = 0.0027933 k( 292) = ( 0.4736842 0.2742492 0.8482556), wk = 0.0027933 k( 293) = ( 0.4868421 0.2818672 0.8394529), wk = 0.0027933 k( 294) = ( 0.5000000 0.2894852 0.8306502), wk = 0.0027933 k( 295) = ( 0.5000000 0.2894852 0.8306502), wk = 0.0027933 k( 296) = ( 0.5000000 0.2894852 0.8125926), wk = 0.0027933 k( 297) = ( 0.5000000 0.2894852 0.7945349), wk = 0.0027933 k( 298) = ( 0.5000000 0.2894852 0.7764773), wk = 0.0027933 k( 299) = ( 0.5000000 0.2894852 0.7584197), wk = 0.0027933 k( 300) = ( 0.5000000 0.2894852 0.7403621), wk = 0.0027933 k( 301) = ( 0.5000000 0.2894852 0.7223045), wk = 0.0027933 k( 302) = ( 0.5000000 0.2894852 0.7042469), wk = 0.0027933 k( 303) = ( 0.5000000 0.2894852 0.6861893), wk = 0.0027933 k( 304) = ( 0.5000000 0.2894852 0.6681317), wk = 0.0027933 k( 305) = ( 0.5000000 0.2894852 0.6500741), wk = 0.0027933 k( 306) = ( 0.5000000 0.2894852 0.6320164), wk = 0.0027933 k( 307) = ( 0.5000000 0.2894852 0.6139588), wk = 0.0027933 k( 308) = ( 0.5000000 0.2894852 0.5959012), wk = 0.0027933 k( 309) = ( 0.5000000 0.2894852 0.5778436), wk = 0.0027933 k( 310) = ( 0.5000000 0.2894852 0.5597860), wk = 0.0027933 k( 311) = ( 0.5000000 0.2894852 0.5417284), wk = 0.0027933 k( 312) = ( 0.5000000 0.2894852 0.5236708), wk = 0.0027933 k( 313) = ( 0.5000000 0.2894852 0.5056132), wk = 0.0027933 k( 314) = ( 0.5000000 0.2894852 0.4875555), wk = 0.0027933 k( 315) = ( 0.5000000 0.2894852 0.4694979), wk = 0.0027933 k( 316) = ( 0.5000000 0.2894852 0.4514403), wk = 0.0027933 k( 317) = ( 0.5000000 0.2894852 0.4333827), wk = 0.0027933 k( 318) = ( 0.5000000 0.2894852 0.4153251), wk = 0.0027933 k( 319) = ( 0.5000000 0.2894852 0.3972675), wk = 0.0027933 k( 320) = ( 0.5000000 0.2894852 0.3792099), wk = 0.0027933 k( 321) = ( 0.5000000 0.2894852 0.3611522), wk = 0.0027933 k( 322) = ( 0.5000000 0.2894852 0.3430946), wk = 0.0027933 k( 323) = ( 0.5000000 0.2894852 0.3250370), wk = 0.0027933 k( 324) = ( 0.5000000 0.2894852 0.3069794), wk = 0.0027933 k( 325) = ( 0.5000000 0.2894852 0.2889218), wk = 0.0027933 k( 326) = ( 0.5000000 0.2894852 0.2708642), wk = 0.0027933 k( 327) = ( 0.5000000 0.2894852 0.2528066), wk = 0.0027933 k( 328) = ( 0.5000000 0.2894852 0.2347490), wk = 0.0027933 k( 329) = ( 0.5000000 0.2894852 0.2166914), wk = 0.0027933 k( 330) = ( 0.5000000 0.2894852 0.1986337), wk = 0.0027933 k( 331) = ( 0.5000000 0.2894852 0.1805761), wk = 0.0027933 k( 332) = ( 0.5000000 0.2894852 0.1625185), wk = 0.0027933 k( 333) = ( 0.5000000 0.2894852 0.1444609), wk = 0.0027933 k( 334) = ( 0.5000000 0.2894852 0.1264033), wk = 0.0027933 k( 335) = ( 0.5000000 0.2894852 0.1083457), wk = 0.0027933 k( 336) = ( 0.5000000 0.2894852 0.0902881), wk = 0.0027933 k( 337) = ( 0.5000000 0.2894852 0.0722305), wk = 0.0027933 k( 338) = ( 0.5000000 0.2894852 0.0541728), wk = 0.0027933 k( 339) = ( 0.5000000 0.2894852 0.0361152), wk = 0.0027933 k( 340) = ( 0.5000000 0.2894852 0.0180576), wk = 0.0027933 k( 341) = ( 0.5000000 0.2894852 -0.0000000), wk = 0.0027933 k( 342) = ( 0.0000000 0.0000000 0.9979019), wk = 0.0027933 k( 343) = ( 0.0156250 0.0090464 0.9979019), wk = 0.0027933 k( 344) = ( 0.0312500 0.0180928 0.9979019), wk = 0.0027933 k( 345) = ( 0.0468750 0.0271392 0.9979019), wk = 0.0027933 k( 346) = ( 0.0625000 0.0361857 0.9979019), wk = 0.0027933 k( 347) = ( 0.0781250 0.0452321 0.9979019), wk = 0.0027933 k( 348) = ( 0.0937500 0.0542785 0.9979019), wk = 0.0027933 k( 349) = ( 0.1093750 0.0633249 0.9979019), wk = 0.0027933 k( 350) = ( 0.1250000 0.0723713 0.9979019), wk = 0.0027933 k( 351) = ( 0.1406250 0.0814177 0.9979019), wk = 0.0027933 k( 352) = ( 0.1562500 0.0904641 0.9979019), wk = 0.0027933 k( 353) = ( 0.1718750 0.0995105 0.9979019), wk = 0.0027933 k( 354) = ( 0.1875000 0.1085570 0.9979019), wk = 0.0027933 k( 355) = ( 0.2031250 0.1176034 0.9979019), wk = 0.0027933 k( 356) = ( 0.2187500 0.1266498 0.9979019), wk = 0.0027933 k( 357) = ( 0.2343750 0.1356962 0.9979019), wk = 0.0027933 k( 358) = ( 0.2500000 0.1447426 0.9979019), wk = 0.0027933 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0027933 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0027933 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0027933 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0027933 k( 6) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0027933 k( 7) = ( 0.0000000 0.0000000 0.0545455), wk = 0.0027933 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0027933 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0027933 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0027933 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0027933 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0027933 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0027933 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0027933 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0027933 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0027933 k( 17) = ( 0.0000000 0.0000000 0.1454546), wk = 0.0027933 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0027933 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0027933 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0027933 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0027933 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0027933 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0027933 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0027933 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0027933 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0027933 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0027933 k( 28) = ( 0.0000000 0.0000000 0.2454546), wk = 0.0027933 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0027933 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0027933 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0027933 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0027933 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0027933 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0027933 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0027933 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0027933 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0027933 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0027933 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0027933 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0027933 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0027933 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0027933 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0027933 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0027933 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0027933 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0027933 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0027933 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0027933 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0027933 k( 50) = ( 0.0000000 0.0000000 0.4454546), wk = 0.0027933 k( 51) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0027933 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0027933 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0027933 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0027933 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0027933 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 58) = ( -0.0083802 0.0083802 0.5000000), wk = 0.0027933 k( 59) = ( -0.0167603 0.0167603 0.5000000), wk = 0.0027933 k( 60) = ( -0.0251405 0.0251405 0.5000000), wk = 0.0027933 k( 61) = ( -0.0335207 0.0335207 0.5000000), wk = 0.0027933 k( 62) = ( -0.0419009 0.0419009 0.5000000), wk = 0.0027933 k( 63) = ( -0.0502810 0.0502810 0.5000000), wk = 0.0027933 k( 64) = ( -0.0586612 0.0586612 0.5000000), wk = 0.0027933 k( 65) = ( -0.0670414 0.0670414 0.5000000), wk = 0.0027933 k( 66) = ( -0.0754215 0.0754215 0.5000000), wk = 0.0027933 k( 67) = ( -0.0838017 0.0838017 0.5000000), wk = 0.0027933 k( 68) = ( -0.0838017 0.0838017 0.5000000), wk = 0.0027933 k( 69) = ( -0.0901077 0.0901077 0.4936940), wk = 0.0027933 k( 70) = ( -0.0964138 0.0964138 0.4873879), wk = 0.0027933 k( 71) = ( -0.1027198 0.1027198 0.4810819), wk = 0.0027933 k( 72) = ( -0.1090258 0.1090258 0.4747759), wk = 0.0027933 k( 73) = ( -0.1153319 0.1153319 0.4684698), wk = 0.0027933 k( 74) = ( -0.1216379 0.1216379 0.4621638), wk = 0.0027933 k( 75) = ( -0.1279439 0.1279439 0.4558578), wk = 0.0027933 k( 76) = ( -0.1342500 0.1342500 0.4495517), wk = 0.0027933 k( 77) = ( -0.1405560 0.1405560 0.4432457), wk = 0.0027933 k( 78) = ( -0.1468620 0.1468621 0.4369397), wk = 0.0027933 k( 79) = ( -0.1531681 0.1531681 0.4306336), wk = 0.0027933 k( 80) = ( -0.1594741 0.1594741 0.4243276), wk = 0.0027933 k( 81) = ( -0.1657801 0.1657802 0.4180216), wk = 0.0027933 k( 82) = ( -0.1720862 0.1720862 0.4117155), wk = 0.0027933 k( 83) = ( -0.1783922 0.1783922 0.4054095), wk = 0.0027933 k( 84) = ( -0.1846983 0.1846983 0.3991034), wk = 0.0027933 k( 85) = ( -0.1910043 0.1910043 0.3927974), wk = 0.0027933 k( 86) = ( -0.1973103 0.1973103 0.3864914), wk = 0.0027933 k( 87) = ( -0.2036164 0.2036164 0.3801853), wk = 0.0027933 k( 88) = ( -0.2099224 0.2099224 0.3738793), wk = 0.0027933 k( 89) = ( -0.2162284 0.2162284 0.3675733), wk = 0.0027933 k( 90) = ( -0.2225345 0.2225345 0.3612672), wk = 0.0027933 k( 91) = ( -0.2288405 0.2288405 0.3549612), wk = 0.0027933 k( 92) = ( -0.2351465 0.2351465 0.3486552), wk = 0.0027933 k( 93) = ( -0.2414526 0.2414526 0.3423491), wk = 0.0027933 k( 94) = ( -0.2477586 0.2477586 0.3360431), wk = 0.0027933 k( 95) = ( -0.2540646 0.2540646 0.3297371), wk = 0.0027933 k( 96) = ( -0.2603707 0.2603707 0.3234310), wk = 0.0027933 k( 97) = ( -0.2666767 0.2666767 0.3171250), wk = 0.0027933 k( 98) = ( -0.2729827 0.2729827 0.3108189), wk = 0.0027933 k( 99) = ( -0.2792888 0.2792888 0.3045129), wk = 0.0027933 k( 100) = ( -0.2855948 0.2855948 0.2982069), wk = 0.0027933 k( 101) = ( -0.2919008 0.2919008 0.2919008), wk = 0.0027933 k( 102) = ( -0.2919008 0.2919008 0.2919008), wk = 0.0027933 k( 103) = ( -0.2855552 0.2855552 0.2855552), wk = 0.0027933 k( 104) = ( -0.2792095 0.2792095 0.2792095), wk = 0.0027933 k( 105) = ( -0.2728638 0.2728638 0.2728638), wk = 0.0027933 k( 106) = ( -0.2665182 0.2665182 0.2665182), wk = 0.0027933 k( 107) = ( -0.2601725 0.2601725 0.2601725), wk = 0.0027933 k( 108) = ( -0.2538268 0.2538268 0.2538268), wk = 0.0027933 k( 109) = ( -0.2474812 0.2474812 0.2474811), wk = 0.0027933 k( 110) = ( -0.2411355 0.2411355 0.2411355), wk = 0.0027933 k( 111) = ( -0.2347898 0.2347898 0.2347898), wk = 0.0027933 k( 112) = ( -0.2284441 0.2284441 0.2284441), wk = 0.0027933 k( 113) = ( -0.2220985 0.2220985 0.2220985), wk = 0.0027933 k( 114) = ( -0.2157528 0.2157528 0.2157528), wk = 0.0027933 k( 115) = ( -0.2094071 0.2094071 0.2094071), wk = 0.0027933 k( 116) = ( -0.2030615 0.2030615 0.2030615), wk = 0.0027933 k( 117) = ( -0.1967158 0.1967158 0.1967158), wk = 0.0027933 k( 118) = ( -0.1903701 0.1903701 0.1903701), wk = 0.0027933 k( 119) = ( -0.1840245 0.1840245 0.1840244), wk = 0.0027933 k( 120) = ( -0.1776788 0.1776788 0.1776788), wk = 0.0027933 k( 121) = ( -0.1713331 0.1713331 0.1713331), wk = 0.0027933 k( 122) = ( -0.1649874 0.1649874 0.1649874), wk = 0.0027933 k( 123) = ( -0.1586418 0.1586418 0.1586418), wk = 0.0027933 k( 124) = ( -0.1522961 0.1522961 0.1522961), wk = 0.0027933 k( 125) = ( -0.1459504 0.1459504 0.1459504), wk = 0.0027933 k( 126) = ( -0.1396047 0.1396048 0.1396047), wk = 0.0027933 k( 127) = ( -0.1332591 0.1332591 0.1332591), wk = 0.0027933 k( 128) = ( -0.1269134 0.1269134 0.1269134), wk = 0.0027933 k( 129) = ( -0.1205677 0.1205677 0.1205677), wk = 0.0027933 k( 130) = ( -0.1142221 0.1142221 0.1142221), wk = 0.0027933 k( 131) = ( -0.1078764 0.1078764 0.1078764), wk = 0.0027933 k( 132) = ( -0.1015307 0.1015307 0.1015307), wk = 0.0027933 k( 133) = ( -0.0951851 0.0951851 0.0951851), wk = 0.0027933 k( 134) = ( -0.0888394 0.0888394 0.0888394), wk = 0.0027933 k( 135) = ( -0.0824937 0.0824937 0.0824937), wk = 0.0027933 k( 136) = ( -0.0761480 0.0761481 0.0761480), wk = 0.0027933 k( 137) = ( -0.0698024 0.0698024 0.0698024), wk = 0.0027933 k( 138) = ( -0.0634567 0.0634567 0.0634567), wk = 0.0027933 k( 139) = ( -0.0571110 0.0571110 0.0571110), wk = 0.0027933 k( 140) = ( -0.0507654 0.0507654 0.0507654), wk = 0.0027933 k( 141) = ( -0.0444197 0.0444197 0.0444197), wk = 0.0027933 k( 142) = ( -0.0380740 0.0380740 0.0380740), wk = 0.0027933 k( 143) = ( -0.0317284 0.0317284 0.0317283), wk = 0.0027933 k( 144) = ( -0.0253827 0.0253827 0.0253827), wk = 0.0027933 k( 145) = ( -0.0190370 0.0190370 0.0190370), wk = 0.0027933 k( 146) = ( -0.0126913 0.0126913 0.0126913), wk = 0.0027933 k( 147) = ( -0.0063457 0.0063457 0.0063457), wk = 0.0027933 k( 148) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 149) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0027933 k( 150) = ( 0.0156250 0.0156250 -0.0156250), wk = 0.0027933 k( 151) = ( 0.0312500 0.0312500 -0.0312500), wk = 0.0027933 k( 152) = ( 0.0468750 0.0468750 -0.0468750), wk = 0.0027933 k( 153) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0027933 k( 154) = ( 0.0781250 0.0781250 -0.0781250), wk = 0.0027933 k( 155) = ( 0.0937500 0.0937500 -0.0937500), wk = 0.0027933 k( 156) = ( 0.1093750 0.1093750 -0.1093750), wk = 0.0027933 k( 157) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0027933 k( 158) = ( 0.1406250 0.1406250 -0.1406250), wk = 0.0027933 k( 159) = ( 0.1562500 0.1562500 -0.1562500), wk = 0.0027933 k( 160) = ( 0.1718750 0.1718750 -0.1718750), wk = 0.0027933 k( 161) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0027933 k( 162) = ( 0.2031250 0.2031250 -0.2031250), wk = 0.0027933 k( 163) = ( 0.2187500 0.2187500 -0.2187500), wk = 0.0027933 k( 164) = ( 0.2343750 0.2343750 -0.2343750), wk = 0.0027933 k( 165) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0027933 k( 166) = ( 0.2656250 0.2656250 -0.2656250), wk = 0.0027933 k( 167) = ( 0.2812500 0.2812500 -0.2812500), wk = 0.0027933 k( 168) = ( 0.2968750 0.2968750 -0.2968750), wk = 0.0027933 k( 169) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0027933 k( 170) = ( 0.3281250 0.3281250 -0.3281250), wk = 0.0027933 k( 171) = ( 0.3437500 0.3437500 -0.3437500), wk = 0.0027933 k( 172) = ( 0.3593750 0.3593750 -0.3593750), wk = 0.0027933 k( 173) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0027933 k( 174) = ( 0.3906250 0.3906250 -0.3906250), wk = 0.0027933 k( 175) = ( 0.4062500 0.4062500 -0.4062500), wk = 0.0027933 k( 176) = ( 0.4218750 0.4218750 -0.4218750), wk = 0.0027933 k( 177) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0027933 k( 178) = ( 0.4531250 0.4531250 -0.4531250), wk = 0.0027933 k( 179) = ( 0.4687500 0.4687500 -0.4687500), wk = 0.0027933 k( 180) = ( 0.4843750 0.4843750 -0.4843750), wk = 0.0027933 k( 181) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 182) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 183) = ( 0.4936940 0.5063060 -0.4936940), wk = 0.0027933 k( 184) = ( 0.4873879 0.5126121 -0.4873879), wk = 0.0027933 k( 185) = ( 0.4810819 0.5189181 -0.4810819), wk = 0.0027933 k( 186) = ( 0.4747759 0.5252241 -0.4747759), wk = 0.0027933 k( 187) = ( 0.4684698 0.5315302 -0.4684698), wk = 0.0027933 k( 188) = ( 0.4621638 0.5378362 -0.4621638), wk = 0.0027933 k( 189) = ( 0.4558578 0.5441422 -0.4558578), wk = 0.0027933 k( 190) = ( 0.4495517 0.5504483 -0.4495517), wk = 0.0027933 k( 191) = ( 0.4432457 0.5567543 -0.4432457), wk = 0.0027933 k( 192) = ( 0.4369397 0.5630603 -0.4369397), wk = 0.0027933 k( 193) = ( 0.4306336 0.5693664 -0.4306336), wk = 0.0027933 k( 194) = ( 0.4243276 0.5756724 -0.4243276), wk = 0.0027933 k( 195) = ( 0.4180216 0.5819785 -0.4180216), wk = 0.0027933 k( 196) = ( 0.4117155 0.5882845 -0.4117155), wk = 0.0027933 k( 197) = ( 0.4054095 0.5945905 -0.4054095), wk = 0.0027933 k( 198) = ( 0.3991034 0.6008966 -0.3991034), wk = 0.0027933 k( 199) = ( 0.3927974 0.6072026 -0.3927974), wk = 0.0027933 k( 200) = ( 0.3864914 0.6135086 -0.3864914), wk = 0.0027933 k( 201) = ( 0.3801853 0.6198147 -0.3801853), wk = 0.0027933 k( 202) = ( 0.3738793 0.6261207 -0.3738793), wk = 0.0027933 k( 203) = ( 0.3675733 0.6324267 -0.3675733), wk = 0.0027933 k( 204) = ( 0.3612672 0.6387328 -0.3612672), wk = 0.0027933 k( 205) = ( 0.3549612 0.6450388 -0.3549612), wk = 0.0027933 k( 206) = ( 0.3486552 0.6513448 -0.3486552), wk = 0.0027933 k( 207) = ( 0.3423491 0.6576509 -0.3423491), wk = 0.0027933 k( 208) = ( 0.3360431 0.6639569 -0.3360431), wk = 0.0027933 k( 209) = ( 0.3297371 0.6702629 -0.3297371), wk = 0.0027933 k( 210) = ( 0.3234310 0.6765690 -0.3234310), wk = 0.0027933 k( 211) = ( 0.3171250 0.6828750 -0.3171250), wk = 0.0027933 k( 212) = ( 0.3108189 0.6891810 -0.3108190), wk = 0.0027933 k( 213) = ( 0.3045129 0.6954871 -0.3045129), wk = 0.0027933 k( 214) = ( 0.2982069 0.7017931 -0.2982069), wk = 0.0027933 k( 215) = ( 0.2919008 0.7080992 -0.2919009), wk = 0.0027933 k( 216) = ( 0.2919008 0.7080992 -0.2919009), wk = 0.0027933 k( 217) = ( 0.2756841 0.6965381 -0.2756841), wk = 0.0027933 k( 218) = ( 0.2594674 0.6849770 -0.2594674), wk = 0.0027933 k( 219) = ( 0.2432507 0.6734160 -0.2432507), wk = 0.0027933 k( 220) = ( 0.2270340 0.6618549 -0.2270340), wk = 0.0027933 k( 221) = ( 0.2108173 0.6502938 -0.2108173), wk = 0.0027933 k( 222) = ( 0.1946006 0.6387328 -0.1946006), wk = 0.0027933 k( 223) = ( 0.1783839 0.6271717 -0.1783839), wk = 0.0027933 k( 224) = ( 0.1621671 0.6156106 -0.1621671), wk = 0.0027933 k( 225) = ( 0.1459504 0.6040496 -0.1459504), wk = 0.0027933 k( 226) = ( 0.1297337 0.5924885 -0.1297337), wk = 0.0027933 k( 227) = ( 0.1135170 0.5809275 -0.1135170), wk = 0.0027933 k( 228) = ( 0.0973003 0.5693664 -0.0973003), wk = 0.0027933 k( 229) = ( 0.0810836 0.5578053 -0.0810836), wk = 0.0027933 k( 230) = ( 0.0648669 0.5462443 -0.0648669), wk = 0.0027933 k( 231) = ( 0.0486501 0.5346832 -0.0486501), wk = 0.0027933 k( 232) = ( 0.0324334 0.5231221 -0.0324334), wk = 0.0027933 k( 233) = ( 0.0162167 0.5115611 -0.0162167), wk = 0.0027933 k( 234) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 235) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0027933 k( 236) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0027933 k( 237) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0027933 k( 238) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0027933 k( 239) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0027933 k( 240) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0027933 k( 241) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0027933 k( 242) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0027933 k( 243) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0027933 k( 244) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0027933 k( 245) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0027933 k( 246) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0027933 k( 247) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0027933 k( 248) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0027933 k( 249) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0027933 k( 250) = ( 0.0961538 0.4038462 0.0961539), wk = 0.0027933 k( 251) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0027933 k( 252) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0027933 k( 253) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0027933 k( 254) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0027933 k( 255) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0027933 k( 256) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0027933 k( 257) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0027933 k( 258) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0027933 k( 259) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0027933 k( 260) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0027933 k( 261) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0027933 k( 262) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0027933 k( 263) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0027933 k( 264) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0027933 k( 265) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0027933 k( 266) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0027933 k( 267) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0027933 k( 268) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0027933 k( 269) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0027933 k( 270) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0027933 k( 271) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0027933 k( 272) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0027933 k( 273) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0027933 k( 274) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 275) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 k( 276) = ( 0.2631579 0.2631579 0.2324315), wk = 0.0027933 k( 277) = ( 0.2763158 0.2763158 0.2148630), wk = 0.0027933 k( 278) = ( 0.2894737 0.2894737 0.1972945), wk = 0.0027933 k( 279) = ( 0.3026316 0.3026316 0.1797260), wk = 0.0027933 k( 280) = ( 0.3157895 0.3157895 0.1621575), wk = 0.0027933 k( 281) = ( 0.3289474 0.3289474 0.1445889), wk = 0.0027933 k( 282) = ( 0.3421053 0.3421053 0.1270204), wk = 0.0027933 k( 283) = ( 0.3552632 0.3552632 0.1094519), wk = 0.0027933 k( 284) = ( 0.3684211 0.3684211 0.0918834), wk = 0.0027933 k( 285) = ( 0.3815789 0.3815789 0.0743149), wk = 0.0027933 k( 286) = ( 0.3947368 0.3947368 0.0567464), wk = 0.0027933 k( 287) = ( 0.4078947 0.4078947 0.0391779), wk = 0.0027933 k( 288) = ( 0.4210526 0.4210526 0.0216094), wk = 0.0027933 k( 289) = ( 0.4342105 0.4342105 0.0040409), wk = 0.0027933 k( 290) = ( 0.4473684 0.4473684 -0.0135277), wk = 0.0027933 k( 291) = ( 0.4605263 0.4605263 -0.0310962), wk = 0.0027933 k( 292) = ( 0.4736842 0.4736842 -0.0486647), wk = 0.0027933 k( 293) = ( 0.4868421 0.4868421 -0.0662332), wk = 0.0027933 k( 294) = ( 0.5000000 0.5000000 -0.0838017), wk = 0.0027933 k( 295) = ( 0.5000000 0.5000000 -0.0838017), wk = 0.0027933 k( 296) = ( 0.5000000 0.5000000 -0.0928495), wk = 0.0027933 k( 297) = ( 0.5000000 0.5000000 -0.1018973), wk = 0.0027933 k( 298) = ( 0.5000000 0.5000000 -0.1109451), wk = 0.0027933 k( 299) = ( 0.5000000 0.5000000 -0.1199929), wk = 0.0027933 k( 300) = ( 0.5000000 0.5000000 -0.1290406), wk = 0.0027933 k( 301) = ( 0.5000000 0.5000000 -0.1380884), wk = 0.0027933 k( 302) = ( 0.5000000 0.5000000 -0.1471362), wk = 0.0027933 k( 303) = ( 0.5000000 0.5000000 -0.1561840), wk = 0.0027933 k( 304) = ( 0.5000000 0.5000000 -0.1652318), wk = 0.0027933 k( 305) = ( 0.5000000 0.5000000 -0.1742796), wk = 0.0027933 k( 306) = ( 0.5000000 0.5000000 -0.1833274), wk = 0.0027933 k( 307) = ( 0.5000000 0.5000000 -0.1923752), wk = 0.0027933 k( 308) = ( 0.5000000 0.5000000 -0.2014230), wk = 0.0027933 k( 309) = ( 0.5000000 0.5000000 -0.2104708), wk = 0.0027933 k( 310) = ( 0.5000000 0.5000000 -0.2195185), wk = 0.0027933 k( 311) = ( 0.5000000 0.5000000 -0.2285663), wk = 0.0027933 k( 312) = ( 0.5000000 0.5000000 -0.2376141), wk = 0.0027933 k( 313) = ( 0.5000000 0.5000000 -0.2466619), wk = 0.0027933 k( 314) = ( 0.5000000 0.5000000 -0.2557097), wk = 0.0027933 k( 315) = ( 0.5000000 0.5000000 -0.2647575), wk = 0.0027933 k( 316) = ( 0.5000000 0.5000000 -0.2738053), wk = 0.0027933 k( 317) = ( 0.5000000 0.5000000 -0.2828531), wk = 0.0027933 k( 318) = ( 0.5000000 0.5000000 -0.2919008), wk = 0.0027933 k( 319) = ( 0.5000000 0.5000000 -0.3009486), wk = 0.0027933 k( 320) = ( 0.5000000 0.5000000 -0.3099964), wk = 0.0027933 k( 321) = ( 0.5000000 0.5000000 -0.3190442), wk = 0.0027933 k( 322) = ( 0.5000000 0.5000000 -0.3280920), wk = 0.0027933 k( 323) = ( 0.5000000 0.5000000 -0.3371398), wk = 0.0027933 k( 324) = ( 0.5000000 0.5000000 -0.3461876), wk = 0.0027933 k( 325) = ( 0.5000000 0.5000000 -0.3552354), wk = 0.0027933 k( 326) = ( 0.5000000 0.5000000 -0.3642832), wk = 0.0027933 k( 327) = ( 0.5000000 0.5000000 -0.3733309), wk = 0.0027933 k( 328) = ( 0.5000000 0.5000000 -0.3823787), wk = 0.0027933 k( 329) = ( 0.5000000 0.5000000 -0.3914265), wk = 0.0027933 k( 330) = ( 0.5000000 0.5000000 -0.4004743), wk = 0.0027933 k( 331) = ( 0.5000000 0.5000000 -0.4095221), wk = 0.0027933 k( 332) = ( 0.5000000 0.5000000 -0.4185699), wk = 0.0027933 k( 333) = ( 0.5000000 0.5000000 -0.4276177), wk = 0.0027933 k( 334) = ( 0.5000000 0.5000000 -0.4366655), wk = 0.0027933 k( 335) = ( 0.5000000 0.5000000 -0.4457133), wk = 0.0027933 k( 336) = ( 0.5000000 0.5000000 -0.4547611), wk = 0.0027933 k( 337) = ( 0.5000000 0.5000000 -0.4638088), wk = 0.0027933 k( 338) = ( 0.5000000 0.5000000 -0.4728566), wk = 0.0027933 k( 339) = ( 0.5000000 0.5000000 -0.4819044), wk = 0.0027933 k( 340) = ( 0.5000000 0.5000000 -0.4909522), wk = 0.0027933 k( 341) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0027933 k( 342) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0027933 k( 343) = ( 0.0156250 0.0156250 0.4843750), wk = 0.0027933 k( 344) = ( 0.0312500 0.0312500 0.4687500), wk = 0.0027933 k( 345) = ( 0.0468750 0.0468750 0.4531250), wk = 0.0027933 k( 346) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0027933 k( 347) = ( 0.0781250 0.0781250 0.4218750), wk = 0.0027933 k( 348) = ( 0.0937500 0.0937500 0.4062500), wk = 0.0027933 k( 349) = ( 0.1093750 0.1093750 0.3906250), wk = 0.0027933 k( 350) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0027933 k( 351) = ( 0.1406250 0.1406250 0.3593750), wk = 0.0027933 k( 352) = ( 0.1562500 0.1562500 0.3437500), wk = 0.0027933 k( 353) = ( 0.1718750 0.1718750 0.3281250), wk = 0.0027933 k( 354) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0027933 k( 355) = ( 0.2031250 0.2031250 0.2968750), wk = 0.0027933 k( 356) = ( 0.2187500 0.2187500 0.2812500), wk = 0.0027933 k( 357) = ( 0.2343750 0.2343750 0.2656250), wk = 0.0027933 k( 358) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0027933 Dense grid: 42169 G-vectors FFT dimensions: ( 60, 60, 60) Smooth grid: 23109 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 162, 48) NL pseudopotentials 0.16 Mb ( 81, 130) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1173) G-vector shells 0.00 Mb ( 548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.47 Mb ( 162, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.19 Mb ( 130, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./CaxNiAsx2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.9 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 4.9 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 6.1 secs Computing kpt #: 7 total cpu time spent up to now is 6.6 secs Computing kpt #: 8 total cpu time spent up to now is 7.2 secs Computing kpt #: 9 total cpu time spent up to now is 7.7 secs Computing kpt #: 10 total cpu time spent up to now is 8.2 secs Computing kpt #: 11 total cpu time spent up to now is 8.8 secs Computing kpt #: 12 total cpu time spent up to now is 9.3 secs Computing kpt #: 13 total cpu time spent up to now is 9.9 secs Computing kpt #: 14 total cpu time spent up to now is 10.4 secs Computing kpt #: 15 total cpu time spent up to now is 11.0 secs Computing kpt #: 16 total cpu time spent up to now is 11.6 secs Computing kpt #: 17 total cpu time spent up to now is 12.2 secs Computing kpt #: 18 total cpu time spent up to now is 12.8 secs Computing kpt #: 19 total cpu time spent up to now is 13.4 secs Computing kpt #: 20 total cpu time spent up to now is 13.9 secs Computing kpt #: 21 total cpu time spent up to now is 14.5 secs Computing kpt #: 22 total cpu time spent up to now is 15.1 secs Computing kpt #: 23 total cpu time spent up to now is 15.7 secs Computing kpt #: 24 total cpu time spent up to now is 16.4 secs Computing kpt #: 25 total cpu time spent up to now is 17.0 secs Computing kpt #: 26 total cpu time spent up to now is 17.6 secs Computing kpt #: 27 total cpu time spent up to now is 18.2 secs Computing kpt #: 28 total cpu time spent up to now is 18.8 secs Computing kpt #: 29 total cpu time spent up to now is 19.5 secs Computing kpt #: 30 total cpu time spent up to now is 20.1 secs Computing kpt #: 31 total cpu time spent up to now is 21.0 secs Computing kpt #: 32 total cpu time spent up to now is 21.6 secs Computing kpt #: 33 total cpu time spent up to now is 22.2 secs Computing kpt #: 34 total cpu time spent up to now is 22.8 secs Computing kpt #: 35 total cpu time spent up to now is 23.4 secs Computing kpt #: 36 total cpu time spent up to now is 24.0 secs Computing kpt #: 37 total cpu time spent up to now is 24.5 secs Computing kpt #: 38 total cpu time spent up to now is 25.1 secs Computing kpt #: 39 total cpu time spent up to now is 25.7 secs Computing kpt #: 40 total cpu time spent up to now is 26.3 secs Computing kpt #: 41 total cpu time spent up to now is 26.9 secs Computing kpt #: 42 total cpu time spent up to now is 27.5 secs Computing kpt #: 43 total cpu time spent up to now is 28.0 secs Computing kpt #: 44 total cpu time spent up to now is 28.6 secs Computing kpt #: 45 total cpu time spent up to now is 29.2 secs Computing kpt #: 46 total cpu time spent up to now is 29.8 secs Computing kpt #: 47 total cpu time spent up to now is 30.4 secs Computing kpt #: 48 total cpu time spent up to now is 31.0 secs Computing kpt #: 49 total cpu time spent up to now is 31.6 secs Computing kpt #: 50 total cpu time spent up to now is 32.2 secs Computing kpt #: 51 total cpu time spent up to now is 32.8 secs Computing kpt #: 52 total cpu time spent up to now is 33.4 secs Computing kpt #: 53 total cpu time spent up to now is 34.0 secs Computing kpt #: 54 total cpu time spent up to now is 34.6 secs Computing kpt #: 55 total cpu time spent up to now is 35.2 secs Computing kpt #: 56 total cpu time spent up to now is 35.8 secs Computing kpt #: 57 total cpu time spent up to now is 36.5 secs Computing kpt #: 58 total cpu time spent up to now is 37.1 secs Computing kpt #: 59 total cpu time spent up to now is 37.7 secs Computing kpt #: 60 total cpu time spent up to now is 38.3 secs Computing kpt #: 61 total cpu time spent up to now is 38.9 secs Computing kpt #: 62 total cpu time spent up to now is 39.5 secs Computing kpt #: 63 total cpu time spent up to now is 40.1 secs Computing kpt #: 64 total cpu time spent up to now is 40.7 secs Computing kpt #: 65 total cpu time spent up to now is 41.3 secs Computing kpt #: 66 total cpu time spent up to now is 42.0 secs Computing kpt #: 67 total cpu time spent up to now is 42.6 secs Computing kpt #: 68 total cpu time spent up to now is 43.2 secs Computing kpt #: 69 total cpu time spent up to now is 43.8 secs Computing kpt #: 70 total cpu time spent up to now is 44.4 secs Computing kpt #: 71 total cpu time spent up to now is 45.0 secs Computing kpt #: 72 total cpu time spent up to now is 45.7 secs Computing kpt #: 73 total cpu time spent up to now is 46.3 secs Computing kpt #: 74 total cpu time spent up to now is 46.9 secs Computing kpt #: 75 total cpu time spent up to now is 47.5 secs Computing kpt #: 76 total cpu time spent up to now is 48.1 secs Computing kpt #: 77 total cpu time spent up to now is 48.7 secs Computing kpt #: 78 total cpu time spent up to now is 49.3 secs Computing kpt #: 79 total cpu time spent up to now is 49.9 secs Computing kpt #: 80 total cpu time spent up to now is 50.5 secs Computing kpt #: 81 total cpu time spent up to now is 51.2 secs Computing kpt #: 82 total cpu time spent up to now is 51.7 secs Computing kpt #: 83 total cpu time spent up to now is 52.3 secs Computing kpt #: 84 total cpu time spent up to now is 52.9 secs Computing kpt #: 85 total cpu time spent up to now is 53.5 secs Computing kpt #: 86 total cpu time spent up to now is 54.1 secs Computing kpt #: 87 total cpu time spent up to now is 54.7 secs Computing kpt #: 88 total cpu time spent up to now is 55.3 secs Computing kpt #: 89 total cpu time spent up to now is 55.8 secs Computing kpt #: 90 total cpu time spent up to now is 56.4 secs Computing kpt #: 91 total cpu time spent up to now is 56.9 secs Computing kpt #: 92 total cpu time spent up to now is 57.5 secs Computing kpt #: 93 total cpu time spent up to now is 58.0 secs Computing kpt #: 94 total cpu time spent up to now is 58.5 secs Computing kpt #: 95 total cpu time spent up to now is 59.3 secs Computing kpt #: 96 total cpu time spent up to now is 60.0 secs Computing kpt #: 97 total cpu time spent up to now is 60.8 secs Computing kpt #: 98 total cpu time spent up to now is 61.6 secs Computing kpt #: 99 total cpu time spent up to now is 62.4 secs Computing kpt #: 100 total cpu time spent up to now is 63.0 secs Computing kpt #: 101 total cpu time spent up to now is 63.8 secs Computing kpt #: 102 total cpu time spent up to now is 64.6 secs Computing kpt #: 103 total cpu time spent up to now is 65.3 secs Computing kpt #: 104 total cpu time spent up to now is 66.1 secs Computing kpt #: 105 total cpu time spent up to now is 66.7 secs Computing kpt #: 106 total cpu time spent up to now is 67.4 secs Computing kpt #: 107 total cpu time spent up to now is 68.0 secs Computing kpt #: 108 total cpu time spent up to now is 68.7 secs Computing kpt #: 109 total cpu time spent up to now is 69.7 secs Computing kpt #: 110 total cpu time spent up to now is 70.4 secs Computing kpt #: 111 total cpu time spent up to now is 71.2 secs Computing kpt #: 112 total cpu time spent up to now is 71.9 secs Computing kpt #: 113 total cpu time spent up to now is 72.6 secs Computing kpt #: 114 total cpu time spent up to now is 73.3 secs Computing kpt #: 115 total cpu time spent up to now is 73.9 secs Computing kpt #: 116 total cpu time spent up to now is 74.5 secs Computing kpt #: 117 total cpu time spent up to now is 75.2 secs Computing kpt #: 118 total cpu time spent up to now is 75.8 secs Computing kpt #: 119 total cpu time spent up to now is 76.5 secs Computing kpt #: 120 total cpu time spent up to now is 77.1 secs Computing kpt #: 121 total cpu time spent up to now is 77.9 secs Computing kpt #: 122 total cpu time spent up to now is 78.6 secs Computing kpt #: 123 total cpu time spent up to now is 79.3 secs Computing kpt #: 124 total cpu time spent up to now is 80.0 secs Computing kpt #: 125 total cpu time spent up to now is 80.8 secs Computing kpt #: 126 total cpu time spent up to now is 81.5 secs Computing kpt #: 127 total cpu time spent up to now is 82.2 secs Computing kpt #: 128 total cpu time spent up to now is 82.9 secs Computing kpt #: 129 total cpu time spent up to now is 83.5 secs Computing kpt #: 130 total cpu time spent up to now is 84.2 secs Computing kpt #: 131 total cpu time spent up to now is 84.8 secs Computing kpt #: 132 total cpu time spent up to now is 85.5 secs Computing kpt #: 133 total cpu time spent up to now is 86.2 secs Computing kpt #: 134 total cpu time spent up to now is 86.9 secs Computing kpt #: 135 total cpu time spent up to now is 87.5 secs Computing kpt #: 136 total cpu time spent up to now is 88.1 secs Computing kpt #: 137 total cpu time spent up to now is 88.7 secs Computing kpt #: 138 total cpu time spent up to now is 89.3 secs Computing kpt #: 139 total cpu time spent up to now is 89.9 secs Computing kpt #: 140 total cpu time spent up to now is 90.4 secs Computing kpt #: 141 total cpu time spent up to now is 90.9 secs Computing kpt #: 142 total cpu time spent up to now is 91.5 secs Computing kpt #: 143 total cpu time spent up to now is 92.0 secs Computing kpt #: 144 total cpu time spent up to now is 92.6 secs Computing kpt #: 145 total cpu time spent up to now is 93.2 secs Computing kpt #: 146 total cpu time spent up to now is 93.7 secs Computing kpt #: 147 total cpu time spent up to now is 94.2 secs Computing kpt #: 148 total cpu time spent up to now is 94.7 secs Computing kpt #: 149 total cpu time spent up to now is 95.2 secs Computing kpt #: 150 total cpu time spent up to now is 95.8 secs Computing kpt #: 151 total cpu time spent up to now is 96.4 secs Computing kpt #: 152 total cpu time spent up to now is 97.2 secs Computing kpt #: 153 total cpu time spent up to now is 98.0 secs Computing kpt #: 154 total cpu time spent up to now is 98.9 secs Computing kpt #: 155 total cpu time spent up to now is 100.2 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.6 secs Computing kpt #: 157 total cpu time spent up to now is 102.3 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.7 secs Computing kpt #: 159 total cpu time spent up to now is 104.3 secs Computing kpt #: 160 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 105.7 secs Computing kpt #: 161 total cpu time spent up to now is 107.0 secs Computing kpt #: 162 total cpu time spent up to now is 107.8 secs Computing kpt #: 163 total cpu time spent up to now is 108.6 secs Computing kpt #: 164 total cpu time spent up to now is 109.4 secs Computing kpt #: 165 total cpu time spent up to now is 110.0 secs Computing kpt #: 166 total cpu time spent up to now is 110.6 secs Computing kpt #: 167 total cpu time spent up to now is 111.2 secs Computing kpt #: 168 total cpu time spent up to now is 111.8 secs Computing kpt #: 169 total cpu time spent up to now is 112.3 secs Computing kpt #: 170 total cpu time spent up to now is 112.9 secs Computing kpt #: 171 total cpu time spent up to now is 113.4 secs Computing kpt #: 172 total cpu time spent up to now is 113.9 secs Computing kpt #: 173 total cpu time spent up to now is 114.4 secs Computing kpt #: 174 total cpu time spent up to now is 114.9 secs Computing kpt #: 175 total cpu time spent up to now is 115.4 secs Computing kpt #: 176 total cpu time spent up to now is 115.9 secs Computing kpt #: 177 total cpu time spent up to now is 116.5 secs Computing kpt #: 178 total cpu time spent up to now is 117.0 secs Computing kpt #: 179 total cpu time spent up to now is 117.5 secs Computing kpt #: 180 total cpu time spent up to now is 118.0 secs Computing kpt #: 181 total cpu time spent up to now is 118.5 secs Computing kpt #: 182 total cpu time spent up to now is 119.0 secs Computing kpt #: 183 total cpu time spent up to now is 119.5 secs Computing kpt #: 184 total cpu time spent up to now is 120.0 secs Computing kpt #: 185 total cpu time spent up to now is 120.5 secs Computing kpt #: 186 total cpu time spent up to now is 121.0 secs Computing kpt #: 187 total cpu time spent up to now is 121.5 secs Computing kpt #: 188 total cpu time spent up to now is 122.1 secs Computing kpt #: 189 total cpu time spent up to now is 122.6 secs Computing kpt #: 190 total cpu time spent up to now is 123.1 secs Computing kpt #: 191 total cpu time spent up to now is 123.6 secs Computing kpt #: 192 total cpu time spent up to now is 124.2 secs Computing kpt #: 193 total cpu time spent up to now is 124.8 secs Computing kpt #: 194 total cpu time spent up to now is 125.5 secs Computing kpt #: 195 total cpu time spent up to now is 126.2 secs Computing kpt #: 196 total cpu time spent up to now is 127.0 secs Computing kpt #: 197 total cpu time spent up to now is 127.7 secs Computing kpt #: 198 total cpu time spent up to now is 128.5 secs Computing kpt #: 199 total cpu time spent up to now is 129.3 secs Computing kpt #: 200 total cpu time spent up to now is 130.0 secs Computing kpt #: 201 total cpu time spent up to now is 130.7 secs Computing kpt #: 202 total cpu time spent up to now is 131.4 secs Computing kpt #: 203 total cpu time spent up to now is 132.1 secs Computing kpt #: 204 total cpu time spent up to now is 132.8 secs Computing kpt #: 205 total cpu time spent up to now is 133.6 secs Computing kpt #: 206 total cpu time spent up to now is 134.3 secs Computing kpt #: 207 total cpu time spent up to now is 135.1 secs Computing kpt #: 208 total cpu time spent up to now is 135.8 secs Computing kpt #: 209 total cpu time spent up to now is 136.5 secs Computing kpt #: 210 total cpu time spent up to now is 137.3 secs Computing kpt #: 211 total cpu time spent up to now is 138.2 secs Computing kpt #: 212 total cpu time spent up to now is 138.9 secs Computing kpt #: 213 total cpu time spent up to now is 139.7 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 141.1 secs Computing kpt #: 215 total cpu time spent up to now is 141.9 secs Computing kpt #: 216 total cpu time spent up to now is 142.6 secs Computing kpt #: 217 total cpu time spent up to now is 143.3 secs Computing kpt #: 218 total cpu time spent up to now is 143.9 secs Computing kpt #: 219 total cpu time spent up to now is 144.4 secs Computing kpt #: 220 total cpu time spent up to now is 145.0 secs Computing kpt #: 221 total cpu time spent up to now is 145.6 secs Computing kpt #: 222 total cpu time spent up to now is 146.1 secs Computing kpt #: 223 total cpu time spent up to now is 146.6 secs Computing kpt #: 224 total cpu time spent up to now is 147.2 secs Computing kpt #: 225 total cpu time spent up to now is 147.8 secs Computing kpt #: 226 total cpu time spent up to now is 148.4 secs Computing kpt #: 227 total cpu time spent up to now is 148.9 secs Computing kpt #: 228 total cpu time spent up to now is 149.5 secs Computing kpt #: 229 total cpu time spent up to now is 150.1 secs Computing kpt #: 230 total cpu time spent up to now is 150.6 secs Computing kpt #: 231 total cpu time spent up to now is 151.2 secs Computing kpt #: 232 total cpu time spent up to now is 151.7 secs Computing kpt #: 233 total cpu time spent up to now is 152.2 secs Computing kpt #: 234 total cpu time spent up to now is 152.8 secs Computing kpt #: 235 total cpu time spent up to now is 153.4 secs Computing kpt #: 236 total cpu time spent up to now is 153.9 secs Computing kpt #: 237 total cpu time spent up to now is 154.5 secs Computing kpt #: 238 total cpu time spent up to now is 155.3 secs Computing kpt #: 239 total cpu time spent up to now is 155.9 secs Computing kpt #: 240 total cpu time spent up to now is 156.6 secs Computing kpt #: 241 total cpu time spent up to now is 157.3 secs Computing kpt #: 242 total cpu time spent up to now is 158.1 secs Computing kpt #: 243 total cpu time spent up to now is 158.9 secs Computing kpt #: 244 total cpu time spent up to now is 159.8 secs Computing kpt #: 245 total cpu time spent up to now is 160.5 secs Computing kpt #: 246 total cpu time spent up to now is 161.3 secs Computing kpt #: 247 total cpu time spent up to now is 162.0 secs Computing kpt #: 248 total cpu time spent up to now is 162.6 secs Computing kpt #: 249 total cpu time spent up to now is 163.2 secs Computing kpt #: 250 total cpu time spent up to now is 163.9 secs Computing kpt #: 251 total cpu time spent up to now is 164.5 secs Computing kpt #: 252 total cpu time spent up to now is 165.2 secs Computing kpt #: 253 total cpu time spent up to now is 165.9 secs Computing kpt #: 254 total cpu time spent up to now is 166.5 secs Computing kpt #: 255 total cpu time spent up to now is 167.2 secs Computing kpt #: 256 total cpu time spent up to now is 167.9 secs Computing kpt #: 257 total cpu time spent up to now is 168.7 secs Computing kpt #: 258 total cpu time spent up to now is 169.6 secs Computing kpt #: 259 total cpu time spent up to now is 170.5 secs Computing kpt #: 260 total cpu time spent up to now is 171.2 secs Computing kpt #: 261 total cpu time spent up to now is 172.0 secs Computing kpt #: 262 total cpu time spent up to now is 172.8 secs Computing kpt #: 263 total cpu time spent up to now is 173.6 secs Computing kpt #: 264 total cpu time spent up to now is 174.4 secs Computing kpt #: 265 total cpu time spent up to now is 175.1 secs Computing kpt #: 266 total cpu time spent up to now is 175.8 secs Computing kpt #: 267 total cpu time spent up to now is 176.5 secs Computing kpt #: 268 total cpu time spent up to now is 177.2 secs Computing kpt #: 269 total cpu time spent up to now is 177.9 secs Computing kpt #: 270 total cpu time spent up to now is 178.7 secs Computing kpt #: 271 total cpu time spent up to now is 179.5 secs Computing kpt #: 272 total cpu time spent up to now is 180.3 secs Computing kpt #: 273 total cpu time spent up to now is 181.1 secs Computing kpt #: 274 total cpu time spent up to now is 181.9 secs Computing kpt #: 275 total cpu time spent up to now is 182.7 secs Computing kpt #: 276 total cpu time spent up to now is 183.5 secs Computing kpt #: 277 total cpu time spent up to now is 184.5 secs Computing kpt #: 278 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 185.9 secs Computing kpt #: 279 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 187.4 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 188.8 secs Computing kpt #: 281 total cpu time spent up to now is 189.9 secs Computing kpt #: 282 total cpu time spent up to now is 190.6 secs Computing kpt #: 283 total cpu time spent up to now is 191.2 secs Computing kpt #: 284 total cpu time spent up to now is 191.8 secs Computing kpt #: 285 total cpu time spent up to now is 192.5 secs Computing kpt #: 286 total cpu time spent up to now is 193.1 secs Computing kpt #: 287 total cpu time spent up to now is 193.7 secs Computing kpt #: 288 total cpu time spent up to now is 194.3 secs Computing kpt #: 289 total cpu time spent up to now is 194.9 secs Computing kpt #: 290 total cpu time spent up to now is 195.5 secs Computing kpt #: 291 total cpu time spent up to now is 196.1 secs Computing kpt #: 292 total cpu time spent up to now is 196.7 secs Computing kpt #: 293 total cpu time spent up to now is 197.4 secs Computing kpt #: 294 total cpu time spent up to now is 198.0 secs Computing kpt #: 295 total cpu time spent up to now is 198.6 secs Computing kpt #: 296 total cpu time spent up to now is 199.2 secs Computing kpt #: 297 total cpu time spent up to now is 199.8 secs Computing kpt #: 298 total cpu time spent up to now is 200.4 secs Computing kpt #: 299 total cpu time spent up to now is 201.0 secs Computing kpt #: 300 total cpu time spent up to now is 201.6 secs Computing kpt #: 301 total cpu time spent up to now is 202.2 secs Computing kpt #: 302 total cpu time spent up to now is 202.8 secs Computing kpt #: 303 total cpu time spent up to now is 203.4 secs Computing kpt #: 304 total cpu time spent up to now is 204.0 secs Computing kpt #: 305 total cpu time spent up to now is 204.6 secs Computing kpt #: 306 total cpu time spent up to now is 205.2 secs Computing kpt #: 307 total cpu time spent up to now is 205.8 secs Computing kpt #: 308 total cpu time spent up to now is 206.4 secs Computing kpt #: 309 total cpu time spent up to now is 207.0 secs Computing kpt #: 310 total cpu time spent up to now is 207.6 secs Computing kpt #: 311 total cpu time spent up to now is 208.2 secs Computing kpt #: 312 total cpu time spent up to now is 208.8 secs Computing kpt #: 313 total cpu time spent up to now is 209.4 secs Computing kpt #: 314 total cpu time spent up to now is 210.0 secs Computing kpt #: 315 total cpu time spent up to now is 210.6 secs Computing kpt #: 316 total cpu time spent up to now is 211.2 secs Computing kpt #: 317 total cpu time spent up to now is 211.8 secs Computing kpt #: 318 total cpu time spent up to now is 212.4 secs Computing kpt #: 319 total cpu time spent up to now is 213.0 secs Computing kpt #: 320 total cpu time spent up to now is 215.8 secs Computing kpt #: 321 total cpu time spent up to now is 216.4 secs Computing kpt #: 322 total cpu time spent up to now is 216.9 secs Computing kpt #: 323 total cpu time spent up to now is 217.4 secs Computing kpt #: 324 total cpu time spent up to now is 218.1 secs Computing kpt #: 325 total cpu time spent up to now is 218.6 secs Computing kpt #: 326 total cpu time spent up to now is 219.2 secs Computing kpt #: 327 total cpu time spent up to now is 219.8 secs Computing kpt #: 328 total cpu time spent up to now is 220.4 secs Computing kpt #: 329 total cpu time spent up to now is 221.0 secs Computing kpt #: 330 total cpu time spent up to now is 221.5 secs Computing kpt #: 331 total cpu time spent up to now is 222.1 secs Computing kpt #: 332 total cpu time spent up to now is 222.6 secs Computing kpt #: 333 total cpu time spent up to now is 223.1 secs Computing kpt #: 334 total cpu time spent up to now is 223.7 secs Computing kpt #: 335 total cpu time spent up to now is 224.2 secs Computing kpt #: 336 total cpu time spent up to now is 224.7 secs Computing kpt #: 337 total cpu time spent up to now is 225.2 secs Computing kpt #: 338 total cpu time spent up to now is 225.7 secs Computing kpt #: 339 total cpu time spent up to now is 226.2 secs Computing kpt #: 340 total cpu time spent up to now is 226.7 secs Computing kpt #: 341 total cpu time spent up to now is 227.2 secs Computing kpt #: 342 total cpu time spent up to now is 227.8 secs Computing kpt #: 343 total cpu time spent up to now is 228.4 secs Computing kpt #: 344 total cpu time spent up to now is 229.0 secs Computing kpt #: 345 total cpu time spent up to now is 229.6 secs Computing kpt #: 346 total cpu time spent up to now is 230.2 secs Computing kpt #: 347 total cpu time spent up to now is 230.8 secs Computing kpt #: 348 total cpu time spent up to now is 231.3 secs Computing kpt #: 349 total cpu time spent up to now is 231.9 secs Computing kpt #: 350 total cpu time spent up to now is 232.5 secs Computing kpt #: 351 total cpu time spent up to now is 233.1 secs Computing kpt #: 352 total cpu time spent up to now is 233.8 secs Computing kpt #: 353 total cpu time spent up to now is 234.6 secs Computing kpt #: 354 total cpu time spent up to now is 235.6 secs Computing kpt #: 355 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 237.1 secs Computing kpt #: 356 total cpu time spent up to now is 238.1 secs Computing kpt #: 357 total cpu time spent up to now is 238.9 secs Computing kpt #: 358 total cpu time spent up to now is 239.6 secs ethr = 2.50E-08, avg # of iterations = 30.0 total cpu time spent up to now is 239.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2030 -11.2030 -10.8314 -10.8314 -10.8244 -10.8244 -2.6873 -2.6873 0.5079 0.5079 4.3725 4.3725 6.8946 6.8946 6.9536 6.9536 7.6532 7.6532 7.6667 7.6667 7.7575 7.7575 8.0590 8.0590 9.2134 9.2134 9.2173 9.2173 9.5383 9.5383 9.6445 9.6445 9.7228 9.7228 10.1023 10.1023 11.4959 11.4959 11.6690 11.6690 11.7281 11.7281 13.5072 13.5072 14.1376 14.1376 k = 0.0000 0.0000 0.0181 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2031 -11.2031 -10.8314 -10.8314 -10.8244 -10.8244 -2.6863 -2.6863 0.5077 0.5077 4.3734 4.3734 6.8932 6.8932 6.9523 6.9523 7.6516 7.6516 7.6674 7.6674 7.7561 7.7561 8.0596 8.0596 9.2094 9.2094 9.2208 9.2208 9.5375 9.5375 9.6430 9.6430 9.7210 9.7210 10.1047 10.1047 11.4637 11.4637 11.6787 11.6787 11.7474 11.7474 13.5148 13.5148 14.1367 14.1367 k = 0.0000 0.0000 0.0363 ( 2875 PWs) bands (ev): -29.9093 -29.9093 -11.2032 -11.2032 -10.8316 -10.8316 -10.8245 -10.8245 -2.6832 -2.6832 0.5071 0.5071 4.3761 4.3761 6.8886 6.8886 6.9487 6.9487 7.6468 7.6468 7.6693 7.6693 7.7522 7.7522 8.0614 8.0614 9.2037 9.2037 9.2253 9.2253 9.5348 9.5348 9.6386 9.6386 9.7160 9.7160 10.1115 10.1115 11.3980 11.3980 11.6712 11.6712 11.8113 11.8113 13.5369 13.5369 14.1342 14.1342 k = 0.0000 0.0000 0.0544 ( 2887 PWs) bands (ev): -29.9093 -29.9093 -11.2034 -11.2034 -10.8320 -10.8320 -10.8245 -10.8245 -2.6780 -2.6780 0.5060 0.5060 4.3805 4.3805 6.8801 6.8801 6.9437 6.9437 7.6377 7.6377 7.6724 7.6724 7.7471 7.7471 8.0643 8.0643 9.1974 9.1974 9.2295 9.2295 9.5302 9.5302 9.6312 9.6312 9.7084 9.7084 10.1221 10.1221 11.3244 11.3244 11.6465 11.6465 11.8952 11.8952 13.5719 13.5719 14.1301 14.1301 k = 0.0000 0.0000 0.0726 ( 2885 PWs) bands (ev): -29.9093 -29.9093 -11.2036 -11.2036 -10.8325 -10.8325 -10.8246 -10.8246 -2.6708 -2.6708 0.5046 0.5046 4.3867 4.3867 6.8666 6.8666 6.9384 6.9384 7.6229 7.6229 7.6764 7.6764 7.7423 7.7423 8.0686 8.0686 9.1910 9.1910 9.2331 9.2331 9.5242 9.5242 9.6211 9.6211 9.6992 9.6992 10.1356 10.1356 11.2497 11.2497 11.6118 11.6118 11.9870 11.9870 13.6176 13.6176 14.1247 14.1247 k = 0.0000 0.0000 0.0907 ( 2897 PWs) bands (ev): -29.9092 -29.9092 -11.2040 -11.2040 -10.8331 -10.8331 -10.8247 -10.8247 -2.6615 -2.6615 0.5027 0.5027 4.3946 4.3946 6.8478 6.8478 6.9337 6.9337 7.6010 7.6010 7.6815 7.6815 7.7393 7.7393 8.0740 8.0740 9.1842 9.1842 9.2362 9.2362 9.5163 9.5163 9.6086 9.6086 9.6888 9.6888 10.1509 10.1509 11.1760 11.1760 11.5697 11.5697 12.0834 12.0834 13.6710 13.6710 14.1183 14.1183 k = 0.0000 0.0000 0.1089 ( 2913 PWs) bands (ev): -29.9092 -29.9092 -11.2045 -11.2045 -10.8339 -10.8339 -10.8249 -10.8249 -2.6503 -2.6503 0.5004 0.5004 4.4041 4.4041 6.8236 6.8236 6.9297 6.9297 7.5717 7.5717 7.6876 7.6876 7.7387 7.7387 8.0803 8.0803 9.1774 9.1774 9.2387 9.2387 9.5066 9.5066 9.5943 9.5943 9.6776 9.6776 10.1673 10.1673 11.1039 11.1039 11.5225 11.5225 12.1831 12.1831 13.7291 13.7291 14.1111 14.1111 k = 0.0000 0.0000 0.1270 ( 2917 PWs) bands (ev): -29.9091 -29.9091 -11.2049 -11.2049 -10.8347 -10.8347 -10.8250 -10.8250 -2.6371 -2.6371 0.4978 0.4978 4.4152 4.4152 6.7948 6.7948 6.9263 6.9263 7.5354 7.5354 7.6947 7.6947 7.7403 7.7403 8.0875 8.0875 9.1705 9.1705 9.2406 9.2406 9.4954 9.4954 9.5787 9.5787 9.6660 9.6660 10.1843 10.1843 11.0339 11.0339 11.4719 11.4719 12.2857 12.2857 13.7890 13.7890 14.1038 14.1038 k = 0.0000 0.0000 0.1451 ( 2925 PWs) bands (ev): -29.9090 -29.9090 -11.2055 -11.2055 -10.8357 -10.8357 -10.8252 -10.8252 -2.6220 -2.6220 0.4948 0.4948 4.4276 4.4276 6.7618 6.7618 6.9232 6.9232 7.4926 7.4926 7.7029 7.7029 7.7437 7.7437 8.0956 8.0956 9.1636 9.1636 9.2419 9.2419 9.4825 9.4825 9.5624 9.5624 9.6538 9.6538 10.2011 10.2011 10.9662 10.9662 11.4191 11.4191 12.3908 12.3908 13.8479 13.8479 14.0966 14.0966 k = 0.0000 0.0000 0.1633 ( 2923 PWs) bands (ev): -29.9089 -29.9089 -11.2061 -11.2061 -10.8367 -10.8367 -10.8253 -10.8253 -2.6049 -2.6049 0.4915 0.4915 4.4414 4.4414 6.7253 6.7253 6.9204 6.9204 7.4441 7.4441 7.7123 7.7123 7.7485 7.7485 8.1044 8.1044 9.1568 9.1568 9.2425 9.2425 9.4683 9.4683 9.5460 9.5460 9.6410 9.6410 10.2174 10.2174 10.9008 10.9008 11.3655 11.3655 12.4982 12.4982 13.9039 13.9039 14.0902 14.0902 k = 0.0000 0.0000 0.1814 ( 2919 PWs) bands (ev): -29.9088 -29.9088 -11.2067 -11.2067 -10.8379 -10.8379 -10.8255 -10.8255 -2.5861 -2.5861 0.4879 0.4879 4.4563 4.4563 6.6861 6.6861 6.9177 6.9177 7.3905 7.3905 7.7227 7.7227 7.7545 7.7545 8.1139 8.1139 9.1501 9.1501 9.2424 9.2424 9.4529 9.4529 9.5295 9.5295 9.6275 9.6275 10.2329 10.2329 10.8377 10.8377 11.3119 11.3119 12.6077 12.6077 13.9553 13.9553 14.0850 14.0850 k = 0.0000 0.0000 0.1996 ( 2907 PWs) bands (ev): -29.9087 -29.9087 -11.2074 -11.2074 -10.8391 -10.8391 -10.8256 -10.8256 -2.5655 -2.5655 0.4840 0.4840 4.4723 4.4723 6.6445 6.6445 6.9149 6.9149 7.3325 7.3325 7.7341 7.7341 7.7613 7.7613 8.1238 8.1238 9.1436 9.1436 9.2414 9.2414 9.4368 9.4368 9.5131 9.5131 9.6137 9.6137 10.2475 10.2475 10.7770 10.7770 11.2591 11.2591 12.7191 12.7191 14.0010 14.0010 14.0819 14.0819 k = 0.0000 0.0000 0.2177 ( 2907 PWs) bands (ev): -29.9086 -29.9086 -11.2081 -11.2081 -10.8404 -10.8404 -10.8257 -10.8257 -2.5432 -2.5432 0.4799 0.4799 4.4890 4.4890 6.6013 6.6013 6.9120 6.9120 7.2705 7.2705 7.7465 7.7465 7.7688 7.7688 8.1341 8.1341 9.1371 9.1371 9.2396 9.2396 9.4199 9.4199 9.4968 9.4968 9.5989 9.5989 10.2610 10.2610 10.7185 10.7185 11.2075 11.2075 12.8323 12.8323 14.0389 14.0389 14.0834 14.0834 k = 0.0000 0.0000 0.2359 ( 2907 PWs) bands (ev): -29.9084 -29.9084 -11.2089 -11.2089 -10.8419 -10.8419 -10.8259 -10.8259 -2.5193 -2.5193 0.4756 0.4756 4.5064 4.5064 6.5570 6.5570 6.9092 6.9092 7.2053 7.2053 7.7596 7.7596 7.7770 7.7770 8.1448 8.1448 9.1307 9.1307 9.2368 9.2368 9.4026 9.4026 9.4806 9.4806 9.5836 9.5836 10.2733 10.2733 10.6622 10.6622 11.1577 11.1577 12.9470 12.9470 14.0612 14.0612 14.0979 14.0979 k = 0.0000 0.0000 0.2540 ( 2907 PWs) bands (ev): -29.9083 -29.9083 -11.2098 -11.2098 -10.8434 -10.8434 -10.8261 -10.8261 -2.4938 -2.4938 0.4710 0.4710 4.5241 4.5241 6.5122 6.5122 6.9061 6.9061 7.1372 7.1372 7.7730 7.7730 7.7862 7.7862 8.1558 8.1558 9.1242 9.1242 9.2329 9.2329 9.3854 9.3854 9.4645 9.4645 9.5677 9.5677 10.2845 10.2845 10.6080 10.6080 11.1098 11.1098 13.0630 13.0630 14.0693 14.0693 14.1248 14.1248 k = 0.0000 0.0000 0.2722 ( 2899 PWs) bands (ev): -29.9081 -29.9081 -11.2107 -11.2107 -10.8450 -10.8450 -10.8263 -10.8263 -2.4669 -2.4669 0.4663 0.4663 4.5420 4.5420 6.4674 6.4674 6.9029 6.9029 7.0668 7.0668 7.7853 7.7853 7.7977 7.7977 8.1670 8.1670 9.1177 9.1177 9.2280 9.2280 9.3684 9.3684 9.4487 9.4487 9.5515 9.5515 10.2946 10.2946 10.5559 10.5559 11.0642 11.0642 13.1802 13.1802 14.0754 14.0754 14.1528 14.1528 k = 0.0000 0.0000 0.2903 ( 2891 PWs) bands (ev): -29.9080 -29.9080 -11.2116 -11.2116 -10.8466 -10.8466 -10.8264 -10.8264 -2.4385 -2.4385 0.4615 0.4615 4.5597 4.5597 6.4233 6.4233 6.8995 6.8995 6.9944 6.9944 7.7953 7.7953 7.8122 7.8122 8.1783 8.1783 9.1110 9.1110 9.2219 9.2219 9.3518 9.3518 9.4331 9.4331 9.5350 9.5350 10.3037 10.3037 10.5058 10.5058 11.0209 11.0209 13.2983 13.2983 14.0833 14.0833 14.1790 14.1790 k = 0.0000 0.0000 0.3084 ( 2896 PWs) bands (ev): -29.9078 -29.9078 -11.2126 -11.2126 -10.8483 -10.8483 -10.8266 -10.8266 -2.4089 -2.4089 0.4565 0.4565 4.5769 4.5769 6.3804 6.3804 6.8960 6.8960 6.9206 6.9206 7.8039 7.8039 7.8290 7.8290 8.1897 8.1897 9.1039 9.1039 9.2144 9.2144 9.3357 9.3357 9.4178 9.4178 9.5182 9.5182 10.3114 10.3114 10.4576 10.4576 10.9799 10.9799 13.4171 13.4171 14.0940 14.0940 14.2029 14.2029 k = 0.0000 0.0000 0.3266 ( 2896 PWs) bands (ev): -29.9076 -29.9076 -11.2136 -11.2136 -10.8501 -10.8501 -10.8268 -10.8268 -2.3780 -2.3780 0.4515 0.4515 4.5934 4.5934 6.3394 6.3394 6.8456 6.8456 6.8924 6.8924 7.8116 7.8116 7.8472 7.8472 8.2010 8.2010 9.0963 9.0963 9.2056 9.2056 9.3204 9.3204 9.4028 9.4028 9.5013 9.5013 10.3180 10.3180 10.4114 10.4114 10.9413 10.9413 13.5363 13.5363 14.1079 14.1079 14.2249 14.2249 k = 0.0000 0.0000 0.3447 ( 2888 PWs) bands (ev): -29.9074 -29.9074 -11.2146 -11.2146 -10.8518 -10.8518 -10.8270 -10.8270 -2.3461 -2.3461 0.4464 0.4464 4.6088 4.6088 6.3007 6.3007 6.7700 6.7700 6.8887 6.8887 7.8187 7.8187 7.8667 7.8667 8.2122 8.2122 9.0880 9.0880 9.1954 9.1954 9.3059 9.3059 9.3884 9.3884 9.4846 9.4846 10.3228 10.3228 10.3679 10.3679 10.9050 10.9050 13.6556 13.6556 14.1253 14.1253 14.2450 14.2450 k = 0.0000 0.0000 0.3629 ( 2884 PWs) bands (ev): -29.9072 -29.9072 -11.2157 -11.2157 -10.8536 -10.8536 -10.8272 -10.8272 -2.3132 -2.3132 0.4413 0.4413 4.6228 4.6228 6.2649 6.2649 6.6940 6.6940 6.8848 6.8848 7.8252 7.8252 7.8871 7.8871 8.2232 8.2232 9.0791 9.0791 9.1838 9.1838 9.2924 9.2924 9.3746 9.3746 9.4680 9.4680 10.3146 10.3146 10.3380 10.3380 10.8709 10.8709 13.7746 13.7746 14.1464 14.1464 14.2636 14.2636 k = 0.0000 0.0000 0.3810 ( 2888 PWs) bands (ev): -29.9071 -29.9071 -11.2168 -11.2168 -10.8555 -10.8555 -10.8274 -10.8274 -2.2794 -2.2794 0.4362 0.4362 4.6351 4.6351 6.2324 6.2324 6.6180 6.6180 6.8808 6.8808 7.8311 7.8311 7.9083 7.9083 8.2338 8.2338 9.0691 9.0691 9.1707 9.1707 9.2797 9.2797 9.3616 9.3616 9.4518 9.4518 10.2777 10.2777 10.3374 10.3374 10.8389 10.8389 13.8929 13.8929 14.1714 14.1714 14.2807 14.2807 k = 0.0000 0.0000 0.3992 ( 2888 PWs) bands (ev): -29.9069 -29.9069 -11.2179 -11.2179 -10.8573 -10.8573 -10.8276 -10.8276 -2.2448 -2.2448 0.4311 0.4311 4.6455 4.6455 6.2037 6.2037 6.5422 6.5422 6.8767 6.8767 7.8363 7.8363 7.9303 7.9303 8.2442 8.2442 9.0583 9.0583 9.1565 9.1565 9.2677 9.2677 9.3496 9.3496 9.4362 9.4362 10.2379 10.2379 10.3405 10.3405 10.8088 10.8088 14.0098 14.0098 14.2005 14.2005 14.2965 14.2965 k = 0.0000 0.0000 0.4173 ( 2896 PWs) bands (ev): -29.9067 -29.9067 -11.2190 -11.2190 -10.8592 -10.8592 -10.8278 -10.8278 -2.2096 -2.2096 0.4261 0.4261 4.6537 4.6537 6.1790 6.1790 6.4670 6.4670 6.8725 6.8725 7.8407 7.8407 7.9529 7.9529 8.2541 8.2541 9.0463 9.0463 9.1412 9.1412 9.2563 9.2563 9.3386 9.3386 9.4213 9.4213 10.1988 10.1988 10.3434 10.3434 10.7805 10.7805 14.1240 14.1240 14.2344 14.2344 14.3113 14.3113 k = 0.0000 0.0000 0.4354 ( 2886 PWs) bands (ev): -29.9065 -29.9065 -11.2201 -11.2201 -10.8610 -10.8610 -10.8279 -10.8279 -2.1739 -2.1739 0.4212 0.4212 4.6596 4.6596 6.1587 6.1587 6.3927 6.3927 6.8682 6.8682 7.8443 7.8443 7.9763 7.9763 8.2635 8.2635 9.0334 9.0334 9.1251 9.1251 9.2455 9.2455 9.3287 9.3287 9.4075 9.4075 10.1608 10.1608 10.3459 10.3459 10.7538 10.7538 14.2283 14.2283 14.2788 14.2788 14.3259 14.3259 k = 0.0000 0.0000 0.4536 ( 2886 PWs) bands (ev): -29.9063 -29.9063 -11.2212 -11.2212 -10.8629 -10.8629 -10.8281 -10.8281 -2.1378 -2.1378 0.4164 0.4164 4.6632 4.6632 6.1424 6.1424 6.3198 6.3198 6.8638 6.8638 7.8471 7.8471 8.0002 8.0002 8.2722 8.2722 9.0195 9.0195 9.1081 9.1081 9.2350 9.2350 9.3198 9.3198 9.3949 9.3949 10.1238 10.1238 10.3480 10.3480 10.7283 10.7283 14.2886 14.2886 14.3431 14.3431 14.3612 14.3612 k = 0.0000 0.0000 0.4717 ( 2886 PWs) bands (ev): -29.9061 -29.9061 -11.2223 -11.2223 -10.8647 -10.8647 -10.8282 -10.8282 -2.1015 -2.1015 0.4117 0.4117 4.6645 4.6645 6.1294 6.1294 6.2492 6.2492 6.8594 6.8594 7.8490 7.8490 8.0245 8.0245 8.2803 8.2803 9.0045 9.0045 9.0907 9.0907 9.2248 9.2248 9.3119 9.3119 9.3836 9.3836 10.0877 10.0877 10.3496 10.3496 10.7040 10.7040 14.3110 14.3110 14.3693 14.3693 14.3727 14.3727 k = 0.0000 0.0000 0.4899 ( 2888 PWs) bands (ev): -29.9059 -29.9059 -11.2234 -11.2234 -10.8665 -10.8665 -10.8284 -10.8284 -2.0650 -2.0650 0.4071 0.4071 4.6636 4.6636 6.1159 6.1159 6.1850 6.1850 6.8549 6.8549 7.8501 7.8501 8.0492 8.0492 8.2874 8.2874 8.9886 8.9886 9.0728 9.0728 9.2149 9.2149 9.3048 9.3048 9.3740 9.3740 10.0526 10.0526 10.3509 10.3509 10.6806 10.6806 14.2211 14.2211 14.3384 14.3384 14.4158 14.4158 k = 0.0000 0.0000 0.5080 ( 2884 PWs) bands (ev): -29.9057 -29.9057 -11.2245 -11.2245 -10.8683 -10.8683 -10.8285 -10.8285 -2.0285 -2.0285 0.4027 0.4027 4.6607 4.6607 6.0831 6.0831 6.1458 6.1458 6.8505 6.8505 7.8503 7.8503 8.0741 8.0741 8.2938 8.2938 8.9719 8.9719 9.0547 9.0547 9.2055 9.2055 9.2985 9.2985 9.3660 9.3660 10.0184 10.0184 10.3518 10.3518 10.6578 10.6578 14.0838 14.0838 14.3420 14.3420 14.4677 14.4677 k = 0.0000 0.0000 0.5262 ( 2878 PWs) bands (ev): -29.9054 -29.9054 -11.2256 -11.2256 -10.8700 -10.8700 -10.8286 -10.8286 -1.9921 -1.9921 0.3985 0.3985 4.6562 4.6562 6.0244 6.0244 6.1380 6.1380 6.8460 6.8460 7.8496 7.8496 8.0991 8.0991 8.2993 8.2993 8.9544 8.9544 9.0363 9.0363 9.1966 9.1966 9.2930 9.2930 9.3600 9.3600 9.9850 9.9850 10.3525 10.3525 10.6355 10.6355 13.9448 13.9448 14.3420 14.3420 14.5249 14.5249 k = 0.0000 0.0000 0.5443 ( 2884 PWs) bands (ev): -29.9052 -29.9052 -11.2267 -11.2267 -10.8718 -10.8718 -10.8288 -10.8288 -1.9560 -1.9560 0.3944 0.3944 4.6504 4.6504 5.9604 5.9604 6.1407 6.1407 6.8415 6.8415 7.8482 7.8482 8.1240 8.1240 8.3036 8.3036 8.9361 8.9361 9.0178 9.0178 9.1883 9.1883 9.2882 9.2882 9.3556 9.3556 9.9524 9.9524 10.3528 10.3528 10.6133 10.6133 13.8064 13.8064 14.3361 14.3361 14.5861 14.5861 k = 0.0000 0.0000 0.5625 ( 2876 PWs) bands (ev): -29.9050 -29.9050 -11.2277 -11.2277 -10.8734 -10.8734 -10.8288 -10.8288 -1.9203 -1.9203 0.3905 0.3905 4.6437 4.6437 5.8967 5.8967 6.1480 6.1480 6.8370 6.8370 7.8459 7.8459 8.1487 8.1487 8.3070 8.3070 8.9172 8.9172 8.9994 8.9994 9.1808 9.1808 9.2844 9.2844 9.3528 9.3528 9.9205 9.9205 10.3530 10.3530 10.5915 10.5915 13.6692 13.6692 14.3227 14.3227 14.6292 14.6292 k = 0.0000 0.0000 0.5806 ( 2888 PWs) bands (ev): -29.9049 -29.9049 -11.2287 -11.2287 -10.8751 -10.8751 -10.8290 -10.8290 -1.8852 -1.8852 0.3869 0.3869 4.6366 4.6366 5.8343 5.8343 6.1584 6.1584 6.8326 6.8326 7.8429 7.8429 8.1729 8.1729 8.3093 8.3093 8.8977 8.8977 8.9810 8.9810 9.1740 9.1740 9.2817 9.2817 9.3513 9.3513 9.8890 9.8890 10.3528 10.3528 10.5697 10.5697 13.5336 13.5336 14.2997 14.2997 14.5809 14.5809 k = 0.0000 0.0000 0.5987 ( 2898 PWs) bands (ev): -29.9047 -29.9047 -11.2298 -11.2298 -10.8767 -10.8767 -10.8291 -10.8291 -1.8507 -1.8507 0.3834 0.3834 4.6294 4.6294 5.7737 5.7737 6.1710 6.1710 6.8282 6.8282 7.8392 7.8392 8.1966 8.1966 8.3105 8.3105 8.8776 8.8776 8.9630 8.9630 9.1682 9.1682 9.2803 9.2803 9.3511 9.3511 9.8584 9.8584 10.3524 10.3524 10.5478 10.5478 13.3999 13.3999 14.2682 14.2682 14.5436 14.5436 k = 0.0000 0.0000 0.6169 ( 2898 PWs) bands (ev): -29.9045 -29.9045 -11.2307 -11.2307 -10.8782 -10.8782 -10.8292 -10.8292 -1.8169 -1.8169 0.3801 0.3801 4.6225 4.6225 5.7152 5.7152 6.1850 6.1850 6.8239 6.8239 7.8349 7.8349 8.2195 8.2195 8.3108 8.3108 8.8571 8.8571 8.9453 8.9453 9.1635 9.1635 9.2807 9.2807 9.3519 9.3519 9.8284 9.8284 10.3519 10.3519 10.5258 10.5258 13.2684 13.2684 14.2319 14.2319 14.5202 14.5202 k = 0.0000 0.0000 0.6350 ( 2894 PWs) bands (ev): -29.9043 -29.9043 -11.2316 -11.2316 -10.8797 -10.8797 -10.8293 -10.8293 -1.7841 -1.7841 0.3770 0.3770 4.6163 4.6163 5.6588 5.6588 6.1999 6.1999 6.8197 6.8197 7.8300 7.8300 8.2413 8.2413 8.3102 8.3102 8.8362 8.8362 8.9282 8.9282 9.1598 9.1598 9.2828 9.2828 9.3537 9.3537 9.7990 9.7990 10.3512 10.3512 10.5038 10.5038 13.1393 13.1393 14.1960 14.1960 14.5063 14.5063 k = 0.0000 0.0000 0.6532 ( 2890 PWs) bands (ev): -29.9041 -29.9041 -11.2325 -11.2325 -10.8811 -10.8811 -10.8293 -10.8293 -1.7522 -1.7522 0.3741 0.3741 4.6110 4.6110 5.6047 5.6047 6.2152 6.2152 6.8156 6.8156 7.8247 7.8247 8.2615 8.2615 8.3092 8.3092 8.8150 8.8150 8.9116 8.9116 9.1572 9.1572 9.2869 9.2869 9.3563 9.3563 9.7702 9.7702 10.3504 10.3504 10.4819 10.4819 13.0129 13.0129 14.1645 14.1645 14.4981 14.4981 k = 0.0000 0.0000 0.6713 ( 2894 PWs) bands (ev): -29.9039 -29.9039 -11.2334 -11.2334 -10.8824 -10.8824 -10.8294 -10.8294 -1.7215 -1.7215 0.3715 0.3715 4.6070 4.6070 5.5530 5.5530 6.2302 6.2302 6.8116 6.8116 7.8189 7.8189 8.2787 8.2787 8.3091 8.3091 8.7936 8.7936 8.8955 8.8955 9.1557 9.1557 9.2929 9.2929 9.3597 9.3597 9.7420 9.7420 10.3493 10.3493 10.4602 10.4602 12.8893 12.8893 14.1398 14.1398 14.4933 14.4933 k = 0.0000 0.0000 0.6895 ( 2894 PWs) bands (ev): -29.9038 -29.9038 -11.2342 -11.2342 -10.8837 -10.8837 -10.8295 -10.8295 -1.6920 -1.6920 0.3690 0.3690 4.6043 4.6043 5.5036 5.5036 6.2445 6.2445 6.8077 6.8077 7.8129 7.8129 8.2888 8.2888 8.3141 8.3141 8.7721 8.7721 8.8801 8.8801 9.1554 9.1554 9.3008 9.3008 9.3640 9.3640 9.7143 9.7143 10.3481 10.3481 10.4388 10.4388 12.7689 12.7689 14.1232 14.1232 14.4905 14.4905 k = 0.0000 0.0000 0.7076 ( 2896 PWs) bands (ev): -29.9036 -29.9036 -11.2350 -11.2350 -10.8849 -10.8849 -10.8295 -10.8295 -1.6638 -1.6638 0.3667 0.3667 4.6032 4.6032 5.4569 5.4569 6.2577 6.2577 6.8040 6.8040 7.8065 7.8065 8.2896 8.2896 8.3262 8.3262 8.7505 8.7505 8.8654 8.8654 9.1561 9.1561 9.3103 9.3103 9.3695 9.3695 9.6872 9.6872 10.3466 10.3466 10.4181 10.4181 12.6518 12.6518 14.1154 14.1154 14.4892 14.4892 k = 0.0000 0.0000 0.7257 ( 2900 PWs) bands (ev): -29.9034 -29.9034 -11.2357 -11.2357 -10.8861 -10.8861 -10.8296 -10.8296 -1.6370 -1.6370 0.3646 0.3646 4.6037 4.6037 5.4126 5.4126 6.2695 6.2695 6.8004 6.8004 7.8001 7.8001 8.2867 8.2867 8.3402 8.3402 8.7291 8.7291 8.8514 8.8514 9.1579 9.1579 9.3206 9.3206 9.3768 9.3768 9.6607 9.6607 10.3447 10.3447 10.3983 10.3983 12.5383 12.5383 14.1165 14.1165 14.4888 14.4888 k = 0.0000 0.0000 0.7439 ( 2898 PWs) bands (ev): -29.9033 -29.9033 -11.2364 -11.2364 -10.8872 -10.8872 -10.8296 -10.8296 -1.6116 -1.6116 0.3627 0.3627 4.6057 4.6057 5.3710 5.3710 6.2796 6.2796 6.7970 6.7970 7.7935 7.7935 8.2826 8.2826 8.3538 8.3538 8.7080 8.7080 8.8381 8.8381 9.1607 9.1607 9.3310 9.3310 9.3866 9.3866 9.6348 9.6348 10.3417 10.3417 10.3804 10.3804 12.4288 12.4288 14.1267 14.1267 14.4894 14.4894 k = 0.0000 0.0000 0.7620 ( 2894 PWs) bands (ev): -29.9032 -29.9032 -11.2370 -11.2370 -10.8882 -10.8882 -10.8296 -10.8296 -1.5878 -1.5878 0.3610 0.3610 4.6094 4.6094 5.3321 5.3321 6.2878 6.2878 6.7938 6.7938 7.7871 7.7871 8.2781 8.2781 8.3660 8.3660 8.6872 8.6872 8.8258 8.8258 9.1646 9.1646 9.3402 9.3402 9.3996 9.3996 9.6096 9.6096 10.3364 10.3364 10.3657 10.3657 12.3235 12.3235 14.1453 14.1453 14.4908 14.4908 k = 0.0000 0.0000 0.7802 ( 2890 PWs) bands (ev): -29.9030 -29.9030 -11.2376 -11.2376 -10.8891 -10.8891 -10.8297 -10.8297 -1.5655 -1.5655 0.3595 0.3595 4.6145 4.6145 5.2959 5.2959 6.2939 6.2939 6.7908 6.7908 7.7807 7.7807 8.2738 8.2738 8.3770 8.3770 8.6669 8.6669 8.8141 8.8141 9.1695 9.1695 9.3479 9.3479 9.4162 9.4162 9.5851 9.5851 10.3268 10.3268 10.3563 10.3563 12.2227 12.2227 14.1719 14.1719 14.4935 14.4935 k = 0.0000 0.0000 0.7983 ( 2890 PWs) bands (ev): -29.9029 -29.9029 -11.2382 -11.2382 -10.8899 -10.8899 -10.8297 -10.8297 -1.5449 -1.5449 0.3581 0.3581 4.6209 4.6209 5.2624 5.2624 6.2980 6.2980 6.7879 6.7879 7.7745 7.7745 8.2699 8.2699 8.3865 8.3865 8.6472 8.6472 8.8033 8.8033 9.1753 9.1753 9.3540 9.3540 9.4358 9.4358 9.5613 9.5613 10.3138 10.3138 10.3516 10.3516 12.1269 12.1269 14.2055 14.2055 14.4979 14.4979 k = 0.0000 0.0000 0.8165 ( 2894 PWs) bands (ev): -29.9028 -29.9028 -11.2387 -11.2387 -10.8907 -10.8907 -10.8297 -10.8297 -1.5260 -1.5260 0.3568 0.3568 4.6283 4.6283 5.2317 5.2317 6.3001 6.3001 6.7853 6.7853 7.7685 7.7685 8.2665 8.2665 8.3946 8.3946 8.6282 8.6282 8.7934 8.7934 9.1820 9.1820 9.3588 9.3588 9.4572 9.4572 9.5388 9.5388 10.2999 10.2999 10.3490 10.3490 12.0364 12.0364 14.2446 14.2446 14.5050 14.5050 k = 0.0000 0.0000 0.8346 ( 2896 PWs) bands (ev): -29.9027 -29.9027 -11.2392 -11.2392 -10.8915 -10.8915 -10.8297 -10.8297 -1.5089 -1.5089 0.3557 0.3557 4.6365 4.6365 5.2038 5.2038 6.3004 6.3004 6.7829 6.7829 7.7629 7.7629 8.2638 8.2638 8.4015 8.4015 8.6102 8.6102 8.7844 8.7844 9.1896 9.1896 9.3628 9.3628 9.4779 9.4779 9.5191 9.5191 10.2865 10.2865 10.3473 10.3473 11.9517 11.9517 14.2867 14.2867 14.5168 14.5168 k = 0.0000 0.0000 0.8528 ( 2892 PWs) bands (ev): -29.9026 -29.9026 -11.2396 -11.2396 -10.8921 -10.8921 -10.8297 -10.8297 -1.4934 -1.4934 0.3548 0.3548 4.6453 4.6453 5.1788 5.1788 6.2991 6.2991 6.7807 6.7807 7.7577 7.7577 8.2620 8.2620 8.4072 8.4072 8.5933 8.5933 8.7763 8.7763 9.1979 9.1979 9.3660 9.3660 9.4837 9.4837 9.5160 9.5160 10.2742 10.2742 10.3461 10.3461 11.8734 11.8734 14.3280 14.3280 14.5366 14.5366 k = 0.0000 0.0000 0.8709 ( 2894 PWs) bands (ev): -29.9025 -29.9025 -11.2400 -11.2400 -10.8927 -10.8927 -10.8297 -10.8297 -1.4798 -1.4798 0.3540 0.3540 4.6542 4.6542 5.1567 5.1567 6.2966 6.2966 6.7788 6.7788 7.7529 7.7529 8.2610 8.2610 8.4117 8.4117 8.5776 8.5776 8.7690 8.7690 9.2070 9.2070 9.3686 9.3686 9.4678 9.4678 9.5353 9.5353 10.2631 10.2631 10.3452 10.3452 11.8019 11.8019 14.3633 14.3633 14.5687 14.5687 k = 0.0000 0.0000 0.8890 ( 2894 PWs) bands (ev): -29.9024 -29.9024 -11.2403 -11.2403 -10.8931 -10.8931 -10.8297 -10.8297 -1.4679 -1.4679 0.3533 0.3533 4.6630 4.6630 5.1374 5.1374 6.2933 6.2933 6.7771 6.7771 7.7486 7.7486 8.2607 8.2607 8.4152 8.4152 8.5635 8.5635 8.7627 8.7627 9.2167 9.2167 9.3707 9.3707 9.4493 9.4493 9.5575 9.5575 10.2533 10.2533 10.3444 10.3444 11.7381 11.7381 14.3889 14.3889 14.6157 14.6157 k = 0.0000 0.0000 0.9072 ( 2882 PWs) bands (ev): -29.9024 -29.9024 -11.2405 -11.2405 -10.8935 -10.8935 -10.8297 -10.8297 -1.4578 -1.4578 0.3527 0.3527 4.6712 4.6712 5.1211 5.1211 6.2895 6.2895 6.7757 6.7757 7.7450 7.7450 8.2611 8.2611 8.4178 8.4178 8.5511 8.5511 8.7574 8.7574 9.2268 9.2268 9.3721 9.3721 9.4315 9.4315 9.5787 9.5787 10.2451 10.2451 10.3439 10.3439 11.6824 11.6824 14.4054 14.4054 14.6758 14.6758 k = 0.0000 0.0000 0.9253 ( 2874 PWs) bands (ev): -29.9023 -29.9023 -11.2407 -11.2407 -10.8938 -10.8938 -10.8296 -10.8296 -1.4496 -1.4496 0.3523 0.3523 4.6785 4.6785 5.1077 5.1077 6.2856 6.2856 6.7745 6.7745 7.7419 7.7419 8.2619 8.2619 8.4196 8.4196 8.5406 8.5406 8.7530 8.7530 9.2370 9.2370 9.3726 9.3726 9.4156 9.4156 9.5977 9.5977 10.2383 10.2383 10.3436 10.3436 11.6357 11.6357 14.4154 14.4154 14.7440 14.7440 k = 0.0000 0.0000 0.9435 ( 2870 PWs) bands (ev): -29.9023 -29.9023 -11.2408 -11.2408 -10.8941 -10.8941 -10.8296 -10.8296 -1.4432 -1.4432 0.3519 0.3519 4.6846 4.6846 5.0973 5.0973 6.2822 6.2822 6.7736 6.7736 7.7395 7.7395 8.2629 8.2629 8.4207 8.4207 8.5322 8.5322 8.7495 8.7495 9.2467 9.2467 9.3718 9.3718 9.4026 9.4026 9.6133 9.6133 10.2330 10.2330 10.3433 10.3433 11.5985 11.5985 14.4215 14.4215 14.8143 14.8143 k = 0.0000 0.0000 0.9616 ( 2866 PWs) bands (ev): -29.9022 -29.9022 -11.2409 -11.2409 -10.8942 -10.8942 -10.8296 -10.8296 -1.4386 -1.4386 0.3517 0.3517 4.6892 4.6892 5.0898 5.0898 6.2794 6.2794 6.7729 6.7729 7.7377 7.7377 8.2638 8.2638 8.4213 8.4213 8.5262 8.5262 8.7471 8.7471 9.2553 9.2553 9.3690 9.3690 9.3939 9.3939 9.6251 9.6251 10.2291 10.2291 10.3430 10.3430 11.5714 11.5714 14.4251 14.4251 14.8793 14.8793 k = 0.0000 0.0000 0.9798 ( 2874 PWs) bands (ev): -29.9022 -29.9022 -11.2410 -11.2410 -10.8944 -10.8944 -10.8297 -10.8297 -1.4359 -1.4359 0.3515 0.3515 4.6920 4.6920 5.0853 5.0853 6.2776 6.2776 6.7725 6.7725 7.7366 7.7366 8.2644 8.2644 8.4215 8.4215 8.5225 8.5225 8.7455 8.7455 9.2613 9.2613 9.3650 9.3650 9.3899 9.3899 9.6324 9.6324 10.2268 10.2268 10.3429 10.3429 11.5550 11.5550 14.4270 14.4270 14.9278 14.9278 k = 0.0000 0.0000 0.9979 ( 2868 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8296 -10.8296 -1.4349 -1.4349 0.3515 0.3515 4.6930 4.6930 5.0838 5.0838 6.2770 6.2770 6.7724 6.7724 7.7363 7.7363 8.2647 8.2647 8.4216 8.4216 8.5213 8.5213 8.7450 8.7450 9.2636 9.2636 9.3632 9.3632 9.3888 9.3888 9.6349 9.6349 10.2262 10.2262 10.3428 10.3428 11.5495 11.5495 14.4276 14.4276 14.9464 14.9464 k = 0.0000 0.0000 0.9979 ( 2868 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8296 -10.8296 -1.4349 -1.4349 0.3515 0.3515 4.6930 4.6930 5.0838 5.0838 6.2770 6.2770 6.7724 6.7724 7.7363 7.7363 8.2647 8.2647 8.4216 8.4216 8.5213 8.5213 8.7450 8.7450 9.2636 9.2636 9.3632 9.3632 9.3888 9.3888 9.6349 9.6349 10.2262 10.2262 10.3428 10.3428 11.5495 11.5495 14.4276 14.4276 14.9464 14.9464 k =-0.0084 0.0145 0.9979 ( 2868 PWs) bands (ev): -29.9022 -29.9022 -11.2410 -11.2410 -10.8943 -10.8943 -10.8297 -10.8297 -1.4348 -1.4348 0.3496 0.3496 4.6941 4.6941 5.0862 5.0862 6.2752 6.2752 6.7728 6.7728 7.7360 7.7360 8.2652 8.2652 8.4216 8.4216 8.5217 8.5217 8.7445 8.7445 9.2647 9.2647 9.3623 9.3623 9.3861 9.3861 9.6405 9.6405 10.2262 10.2262 10.3429 10.3429 11.5506 11.5506 14.4298 14.4298 14.9450 14.9450 k =-0.0168 0.0289 0.9979 ( 2874 PWs) bands (ev): -29.9022 -29.9022 -11.2410 -11.2410 -10.8943 -10.8943 -10.8297 -10.8297 -1.4345 -1.4345 0.3441 0.3441 4.6973 4.6973 5.0935 5.0935 6.2697 6.2697 6.7738 6.7738 7.7350 7.7350 8.2667 8.2667 8.4214 8.4214 8.5228 8.5228 8.7431 8.7431 9.2677 9.2677 9.3589 9.3589 9.3800 9.3800 9.6564 9.6564 10.2261 10.2261 10.3431 10.3431 11.5540 11.5540 14.4361 14.4361 14.9409 14.9409 k =-0.0251 0.0434 0.9979 ( 2884 PWs) bands (ev): -29.9023 -29.9023 -11.2409 -11.2409 -10.8942 -10.8942 -10.8297 -10.8297 -1.4339 -1.4339 0.3350 0.3350 4.7028 4.7028 5.1056 5.1056 6.2606 6.2606 6.7756 6.7756 7.7335 7.7335 8.2691 8.2691 8.4211 8.4211 8.5248 8.5248 8.7406 8.7406 9.2718 9.2718 9.3516 9.3516 9.3746 9.3746 9.6805 9.6805 10.2259 10.2259 10.3436 10.3436 11.5596 11.5596 14.4464 14.4464 14.9342 14.9342 k =-0.0335 0.0579 0.9979 ( 2886 PWs) bands (ev): -29.9023 -29.9023 -11.2408 -11.2408 -10.8939 -10.8939 -10.8298 -10.8298 -1.4331 -1.4331 0.3223 0.3223 4.7105 4.7105 5.1224 5.1224 6.2481 6.2481 6.7779 6.7779 7.7314 7.7314 8.2725 8.2725 8.4207 8.4207 8.5277 8.5277 8.7372 8.7372 9.2752 9.2752 9.3429 9.3429 9.3715 9.3715 9.7108 9.7108 10.2257 10.2257 10.3445 10.3445 11.5674 11.5674 14.4599 14.4599 14.9250 14.9250 k =-0.0419 0.0724 0.9979 ( 2886 PWs) bands (ev): -29.9023 -29.9023 -11.2406 -11.2406 -10.8937 -10.8937 -10.8298 -10.8298 -1.4322 -1.4322 0.3062 0.3062 4.7204 4.7204 5.1437 5.1437 6.2325 6.2325 6.7808 6.7808 7.7287 7.7287 8.2769 8.2769 8.4201 8.4201 8.5314 8.5314 8.7329 8.7329 9.2737 9.2737 9.3394 9.3394 9.3698 9.3698 9.7457 9.7457 10.2255 10.2255 10.3459 10.3459 11.5773 11.5773 14.4758 14.4758 14.9135 14.9135 k =-0.0503 0.0868 0.9979 ( 2886 PWs) bands (ev): -29.9024 -29.9024 -11.2404 -11.2404 -10.8933 -10.8933 -10.8299 -10.8299 -1.4310 -1.4310 0.2868 0.2868 4.7324 4.7324 5.1693 5.1693 6.2140 6.2140 6.7841 6.7841 7.7254 7.7254 8.2823 8.2823 8.4193 8.4193 8.5359 8.5359 8.7277 8.7277 9.2649 9.2649 9.3449 9.3449 9.3690 9.3690 9.7841 9.7841 10.2252 10.2252 10.3479 10.3479 11.5893 11.5893 14.4929 14.4929 14.8999 14.8999 k =-0.0587 0.1013 0.9979 ( 2882 PWs) bands (ev): -29.9025 -29.9025 -11.2402 -11.2402 -10.8929 -10.8929 -10.8300 -10.8300 -1.4297 -1.4297 0.2644 0.2644 4.7466 4.7466 5.1991 5.1991 6.1930 6.1930 6.7877 6.7877 7.7214 7.7214 8.2885 8.2885 8.4184 8.4184 8.5413 8.5413 8.7216 8.7216 9.2513 9.2513 9.3559 9.3559 9.3707 9.3707 9.8254 9.8254 10.2251 10.2251 10.3505 10.3505 11.6031 11.6031 14.5096 14.5096 14.8845 14.8845 k =-0.0670 0.1158 0.9979 ( 2890 PWs) bands (ev): -29.9025 -29.9025 -11.2399 -11.2399 -10.8924 -10.8924 -10.8301 -10.8301 -1.4283 -1.4283 0.2389 0.2389 4.7630 4.7630 5.2328 5.2328 6.1696 6.1696 6.7917 6.7917 7.7168 7.7168 8.2954 8.2954 8.4173 8.4173 8.5476 8.5476 8.7146 8.7146 9.2358 9.2358 9.3609 9.3609 9.3838 9.3838 9.8692 9.8692 10.2250 10.2250 10.3538 10.3538 11.6188 11.6188 14.5242 14.5242 14.8674 14.8674 k =-0.0754 0.1303 0.9979 ( 2886 PWs) bands (ev): -29.9026 -29.9026 -11.2395 -11.2395 -10.8918 -10.8918 -10.8302 -10.8302 -1.4268 -1.4268 0.2108 0.2108 4.7815 4.7815 5.2701 5.2701 6.1442 6.1442 6.7958 6.7958 7.7116 7.7116 8.3031 8.3031 8.4161 8.4161 8.5547 8.5547 8.7068 8.7068 9.2203 9.2203 9.3605 9.3605 9.4061 9.4061 9.9151 9.9151 10.2250 10.2250 10.3583 10.3583 11.6363 11.6363 14.5348 14.5348 14.8489 14.8489 k =-0.0838 0.1447 0.9979 ( 2890 PWs) bands (ev): -29.9027 -29.9027 -11.2392 -11.2392 -10.8912 -10.8912 -10.8303 -10.8303 -1.4253 -1.4253 0.1801 0.1801 4.8022 4.8022 5.3107 5.3107 6.1172 6.1172 6.8001 6.8001 7.7058 7.7058 8.3114 8.3114 8.4148 8.4148 8.5626 8.5626 8.6983 8.6983 9.2054 9.2054 9.3591 9.3591 9.4327 9.4327 9.9629 9.9629 10.2253 10.2253 10.3636 10.3636 11.6554 11.6554 14.5394 14.5394 14.8291 14.8291 k =-0.0838 0.1447 0.9979 ( 2890 PWs) bands (ev): -29.9027 -29.9027 -11.2392 -11.2392 -10.8912 -10.8912 -10.8303 -10.8303 -1.4253 -1.4253 0.1801 0.1801 4.8022 4.8022 5.3107 5.3107 6.1172 6.1172 6.8001 6.8001 7.7058 7.7058 8.3114 8.3114 8.4148 8.4148 8.5626 8.5626 8.6983 8.6983 9.2054 9.2054 9.3591 9.3591 9.4327 9.4327 9.9629 9.9629 10.2253 10.2253 10.3636 10.3636 11.6554 11.6554 14.5394 14.5394 14.8291 14.8291 k =-0.0901 0.1556 0.9853 ( 2890 PWs) bands (ev): -29.9028 -29.9028 -11.2389 -11.2389 -10.8907 -10.8907 -10.8304 -10.8304 -1.4245 -1.4245 0.1556 0.1556 4.8182 4.8182 5.3438 5.3438 6.0971 6.0971 6.8032 6.8032 7.7011 7.7011 8.3178 8.3178 8.4138 8.4138 8.5697 8.5697 8.6917 8.6917 9.1948 9.1948 9.3563 9.3563 9.4565 9.4565 9.9985 9.9985 10.2262 10.2262 10.3692 10.3692 11.6732 11.6732 14.5380 14.5380 14.8067 14.8067 k =-0.0964 0.1665 0.9727 ( 2890 PWs) bands (ev): -29.9028 -29.9028 -11.2386 -11.2386 -10.8901 -10.8901 -10.8304 -10.8304 -1.4244 -1.4244 0.1302 0.1302 4.8333 4.8333 5.3796 5.3796 6.0787 6.0787 6.8058 6.8058 7.6962 7.6962 8.3240 8.3240 8.4127 8.4127 8.5784 8.5784 8.6851 8.6851 9.1847 9.1847 9.3517 9.3517 9.4837 9.4837 10.0316 10.0316 10.2289 10.2289 10.3772 10.3772 11.6966 11.6966 14.5321 14.5321 14.7727 14.7727 k =-0.1027 0.1774 0.9601 ( 2888 PWs) bands (ev): -29.9029 -29.9029 -11.2382 -11.2382 -10.8895 -10.8895 -10.8305 -10.8305 -1.4251 -1.4251 0.1039 0.1039 4.8469 4.8469 5.4179 5.4179 6.0628 6.0628 6.8080 6.8080 7.6910 7.6910 8.3300 8.3300 8.4118 8.4118 8.5886 8.5886 8.6788 8.6788 9.1752 9.1752 9.3463 9.3463 9.5128 9.5128 10.0614 10.0614 10.2336 10.2336 10.3885 10.3885 11.7254 11.7254 14.5208 14.5208 14.7309 14.7309 k =-0.1090 0.1883 0.9476 ( 2892 PWs) bands (ev): -29.9030 -29.9030 -11.2378 -11.2378 -10.8889 -10.8889 -10.8305 -10.8305 -1.4264 -1.4264 0.0769 0.0769 4.8587 4.8587 5.4582 5.4582 6.0500 6.0500 6.8094 6.8094 7.6856 7.6856 8.3355 8.3355 8.4113 8.4113 8.6000 8.6000 8.6728 8.6728 9.1663 9.1663 9.3404 9.3404 9.5432 9.5432 10.0872 10.0872 10.2406 10.2406 10.4040 10.4040 11.7591 11.7591 14.5034 14.5034 14.6853 14.6853 k =-0.1153 0.1992 0.9350 ( 2892 PWs) bands (ev): -29.9031 -29.9031 -11.2374 -11.2374 -10.8882 -10.8882 -10.8306 -10.8306 -1.4283 -1.4283 0.0494 0.0494 4.8682 4.8682 5.5005 5.5005 6.0408 6.0408 6.8103 6.8103 7.6798 7.6798 8.3402 8.3402 8.4117 8.4117 8.6122 8.6122 8.6675 8.6675 9.1582 9.1582 9.3344 9.3344 9.5742 9.5742 10.1085 10.1085 10.2502 10.2502 10.4246 10.4246 11.7976 11.7976 14.4788 14.4788 14.6393 14.6393 k =-0.1216 0.2101 0.9224 ( 2893 PWs) bands (ev): -29.9033 -29.9033 -11.2370 -11.2370 -10.8874 -10.8874 -10.8306 -10.8306 -1.4308 -1.4308 0.0215 0.0215 4.8750 4.8750 5.5444 5.5444 6.0358 6.0358 6.8105 6.8105 7.6737 7.6737 8.3436 8.3436 8.4133 8.4133 8.6240 8.6240 8.6640 8.6640 9.1508 9.1508 9.3281 9.3281 9.6055 9.6055 10.1255 10.1255 10.2622 10.2622 10.4509 10.4509 11.8404 11.8404 14.4463 14.4463 14.5954 14.5954 k =-0.1279 0.2210 0.9098 ( 2895 PWs) bands (ev): -29.9034 -29.9034 -11.2365 -11.2365 -10.8867 -10.8867 -10.8305 -10.8305 -1.4339 -1.4339 -0.0066 -0.0066 4.8788 4.8788 5.5897 5.5897 6.0351 6.0351 6.8101 6.8101 7.6670 7.6670 8.3455 8.3455 8.4168 8.4168 8.6324 8.6324 8.6653 8.6653 9.1442 9.1442 9.3216 9.3216 9.6366 9.6366 10.1387 10.1387 10.2764 10.2764 10.4829 10.4829 11.8874 11.8874 14.4062 14.4062 14.5548 14.5548 k =-0.1342 0.2319 0.8972 ( 2897 PWs) bands (ev): -29.9035 -29.9035 -11.2361 -11.2361 -10.8859 -10.8859 -10.8305 -10.8305 -1.4374 -1.4374 -0.0347 -0.0347 4.8794 4.8794 5.6360 5.6360 6.0391 6.0391 6.8091 6.8091 7.6598 7.6598 8.3457 8.3457 8.4224 8.4224 8.6339 8.6339 8.6745 8.6745 9.1381 9.1381 9.3148 9.3148 9.6673 9.6673 10.1492 10.1492 10.2927 10.2927 10.5205 10.5205 11.9380 11.9380 14.3602 14.3602 14.5170 14.5170 k =-0.1406 0.2428 0.8846 ( 2899 PWs) bands (ev): -29.9036 -29.9036 -11.2356 -11.2356 -10.8852 -10.8852 -10.8303 -10.8303 -1.4414 -1.4414 -0.0629 -0.0629 4.8767 4.8767 5.6831 5.6831 6.0477 6.0477 6.8076 6.8076 7.6520 7.6520 8.3445 8.3445 8.4300 8.4300 8.6308 8.6308 8.6893 8.6893 9.1327 9.1327 9.3076 9.3076 9.6971 9.6971 10.1577 10.1577 10.3110 10.3110 10.5633 10.5633 11.9922 11.9922 14.3106 14.3106 14.4804 14.4804 k =-0.1469 0.2537 0.8720 ( 2896 PWs) bands (ev): -29.9038 -29.9038 -11.2352 -11.2352 -10.8844 -10.8844 -10.8302 -10.8302 -1.4457 -1.4457 -0.0908 -0.0908 4.8709 4.8709 5.7307 5.7307 6.0608 6.0608 6.8057 6.8057 7.6437 7.6437 8.3422 8.3422 8.4395 8.4395 8.6262 8.6262 8.7067 8.7067 9.1278 9.1278 9.3002 9.3002 9.7260 9.7260 10.1649 10.1649 10.3313 10.3313 10.6110 10.6110 12.0494 12.0494 14.2593 14.2593 14.4436 14.4436 k =-0.1532 0.2646 0.8595 ( 2894 PWs) bands (ev): -29.9039 -29.9039 -11.2347 -11.2347 -10.8836 -10.8836 -10.8299 -10.8299 -1.4503 -1.4503 -0.1184 -0.1184 4.8621 4.8621 5.7786 5.7786 6.0781 6.0781 6.8035 6.8035 7.6346 7.6346 8.3391 8.3391 8.4506 8.4506 8.6212 8.6212 8.7253 8.7253 9.1233 9.1233 9.2923 9.2923 9.7538 9.7538 10.1713 10.1713 10.3539 10.3539 10.6632 10.6632 12.1096 12.1096 14.2079 14.2079 14.4059 14.4059 k =-0.1595 0.2754 0.8469 ( 2898 PWs) bands (ev): -29.9040 -29.9040 -11.2343 -11.2343 -10.8829 -10.8829 -10.8296 -10.8296 -1.4552 -1.4552 -0.1455 -0.1455 4.8506 4.8506 5.8265 5.8265 6.0990 6.0990 6.8011 6.8011 7.6250 7.6250 8.3355 8.3355 8.4629 8.4629 8.6160 8.6160 8.7446 8.7446 9.1192 9.1192 9.2840 9.2840 9.7806 9.7806 10.1772 10.1772 10.3787 10.3787 10.7196 10.7196 12.1722 12.1722 14.1572 14.1572 14.3664 14.3664 k =-0.1658 0.2863 0.8343 ( 2892 PWs) bands (ev): -29.9042 -29.9042 -11.2338 -11.2338 -10.8822 -10.8822 -10.8293 -10.8293 -1.4602 -1.4602 -0.1721 -0.1721 4.8368 4.8368 5.8742 5.8742 6.1231 6.1231 6.7987 6.7987 7.6147 7.6147 8.3319 8.3319 8.4764 8.4764 8.6111 8.6111 8.7644 8.7644 9.1153 9.1153 9.2753 9.2753 9.8067 9.8067 10.1827 10.1827 10.4055 10.4055 10.7802 10.7802 12.2372 12.2372 14.1081 14.1081 14.3251 14.3251 k =-0.1721 0.2972 0.8217 ( 2894 PWs) bands (ev): -29.9043 -29.9043 -11.2334 -11.2334 -10.8816 -10.8816 -10.8289 -10.8289 -1.4655 -1.4655 -0.1981 -0.1981 4.8211 4.8211 5.9213 5.9213 6.1498 6.1498 6.7965 6.7965 7.6038 7.6038 8.3283 8.3283 8.4908 8.4908 8.6063 8.6063 8.7842 8.7842 9.1116 9.1116 9.2660 9.2660 9.8321 9.8321 10.1881 10.1881 10.4339 10.4339 10.8449 10.8449 12.3042 12.3042 14.0607 14.0607 14.2814 14.2814 k =-0.1784 0.3081 0.8091 ( 2890 PWs) bands (ev): -29.9044 -29.9044 -11.2330 -11.2330 -10.8810 -10.8810 -10.8284 -10.8284 -1.4708 -1.4708 -0.2232 -0.2232 4.8038 4.8038 5.9677 5.9677 6.1783 6.1783 6.7946 6.7946 7.5923 7.5923 8.3249 8.3249 8.5061 8.5061 8.6020 8.6020 8.8039 8.8039 9.1080 9.1080 9.2561 9.2561 9.8575 9.8575 10.1933 10.1933 10.4637 10.4637 10.9136 10.9136 12.3730 12.3730 14.0156 14.0156 14.2354 14.2354 k =-0.1847 0.3190 0.7965 ( 2890 PWs) bands (ev): -29.9046 -29.9046 -11.2326 -11.2326 -10.8804 -10.8804 -10.8279 -10.8279 -1.4761 -1.4761 -0.2476 -0.2476 4.7856 4.7856 6.0131 6.0131 6.2080 6.2080 6.7932 6.7932 7.5803 7.5803 8.3217 8.3217 8.5220 8.5220 8.5981 8.5981 8.8232 8.8232 9.1046 9.1046 9.2456 9.2456 9.8830 9.8830 10.1985 10.1985 10.4940 10.4940 10.9862 10.9862 12.4433 12.4433 13.9728 13.9728 14.1870 14.1870 k =-0.1910 0.3299 0.7839 ( 2887 PWs) bands (ev): -29.9047 -29.9047 -11.2322 -11.2322 -10.8799 -10.8799 -10.8273 -10.8273 -1.4814 -1.4814 -0.2709 -0.2709 4.7666 4.7666 6.0572 6.0572 6.2382 6.2382 6.7925 6.7925 7.5679 7.5679 8.3190 8.3190 8.5381 8.5381 8.5950 8.5950 8.8419 8.8419 9.1013 9.1013 9.2346 9.2346 9.9093 9.9093 10.2037 10.2037 10.5244 10.5244 11.0628 11.0628 12.5150 12.5150 13.9323 13.9323 14.1361 14.1361 k =-0.1973 0.3408 0.7714 ( 2885 PWs) bands (ev): -29.9048 -29.9048 -11.2319 -11.2319 -10.8795 -10.8795 -10.8267 -10.8267 -1.4867 -1.4867 -0.2933 -0.2933 4.7473 4.7473 6.0998 6.0998 6.2682 6.2682 6.7928 6.7928 7.5551 7.5551 8.3167 8.3167 8.5537 8.5537 8.5935 8.5935 8.8597 8.8597 9.0982 9.0982 9.2230 9.2230 9.9367 9.9367 10.2089 10.2089 10.5541 10.5541 11.1433 11.1433 12.5877 12.5877 13.8942 13.8942 14.0830 14.0830 k =-0.2036 0.3517 0.7588 ( 2887 PWs) bands (ev): -29.9049 -29.9049 -11.2316 -11.2316 -10.8791 -10.8791 -10.8261 -10.8261 -1.4919 -1.4919 -0.3145 -0.3145 4.7280 4.7280 6.1408 6.1408 6.2976 6.2976 6.7941 6.7941 7.5420 7.5420 8.3147 8.3147 8.5663 8.5663 8.5957 8.5957 8.8765 8.8765 9.0952 9.0952 9.2107 9.2107 9.9655 9.9655 10.2140 10.2140 10.5826 10.5826 11.2275 11.2275 12.6612 12.6612 13.8582 13.8582 14.0283 14.0283 k =-0.2099 0.3626 0.7462 ( 2893 PWs) bands (ev): -29.9051 -29.9051 -11.2313 -11.2313 -10.8787 -10.8787 -10.8254 -10.8254 -1.4969 -1.4969 -0.3346 -0.3346 4.7090 4.7090 6.1798 6.1798 6.3256 6.3256 6.7967 6.7967 7.5288 7.5288 8.3131 8.3131 8.5722 8.5722 8.6054 8.6054 8.8919 8.8919 9.0924 9.0924 9.1979 9.1979 9.9962 9.9962 10.2191 10.2191 10.6090 10.6090 11.3153 11.3153 12.7353 12.7353 13.8237 13.8237 13.9727 13.9727 k =-0.2162 0.3735 0.7336 ( 2889 PWs) bands (ev): -29.9052 -29.9052 -11.2310 -11.2310 -10.8784 -10.8784 -10.8247 -10.8247 -1.5017 -1.5017 -0.3534 -0.3534 4.6905 4.6905 6.2165 6.2165 6.3519 6.3519 6.8006 6.8006 7.5157 7.5157 8.3120 8.3120 8.5729 8.5729 8.6209 8.6209 8.9058 8.9058 9.0900 9.0900 9.1847 9.1847 10.0289 10.0289 10.2242 10.2242 10.6329 10.6329 11.4065 11.4065 12.8097 12.8097 13.7897 13.7897 13.9179 13.9179 k =-0.2225 0.3844 0.7210 ( 2889 PWs) bands (ev): -29.9053 -29.9053 -11.2308 -11.2308 -10.8782 -10.8782 -10.8241 -10.8241 -1.5063 -1.5063 -0.3709 -0.3709 4.6728 4.6728 6.2509 6.2509 6.3762 6.3762 6.8059 6.8059 7.5027 7.5027 8.3112 8.3112 8.5720 8.5720 8.6387 8.6387 8.9180 8.9180 9.0880 9.0880 9.1710 9.1710 10.0636 10.0636 10.2293 10.2293 10.6535 10.6535 11.5007 11.5007 12.8840 12.8840 13.7541 13.7541 13.8666 13.8666 k =-0.2288 0.3953 0.7084 ( 2883 PWs) bands (ev): -29.9054 -29.9054 -11.2305 -11.2305 -10.8779 -10.8779 -10.8234 -10.8234 -1.5106 -1.5106 -0.3871 -0.3871 4.6560 4.6560 6.2825 6.2825 6.3984 6.3984 6.8125 6.8125 7.4901 7.4901 8.3108 8.3108 8.5706 8.5706 8.6572 8.6572 8.9285 8.9285 9.0864 9.0864 9.1570 9.1570 10.1004 10.1004 10.2344 10.2344 10.6703 10.6703 11.5976 11.5976 12.9578 12.9578 13.7142 13.7142 13.8225 13.8225 k =-0.2351 0.4061 0.6958 ( 2885 PWs) bands (ev): -29.9055 -29.9055 -11.2303 -11.2303 -10.8778 -10.8778 -10.8227 -10.8227 -1.5146 -1.5146 -0.4019 -0.4019 4.6404 4.6404 6.3111 6.3111 6.4183 6.4183 6.8202 6.8202 7.4779 7.4779 8.3105 8.3105 8.5693 8.5693 8.6760 8.6760 8.9371 8.9371 9.0852 9.0852 9.1427 9.1427 10.1387 10.1387 10.2399 10.2399 10.6828 10.6828 11.6965 11.6965 13.0307 13.0307 13.6685 13.6685 13.7879 13.7879 k =-0.2415 0.4170 0.6833 ( 2891 PWs) bands (ev): -29.9056 -29.9056 -11.2302 -11.2302 -10.8777 -10.8777 -10.8221 -10.8221 -1.5182 -1.5182 -0.4152 -0.4152 4.6261 4.6261 6.3364 6.3364 6.4361 6.4361 6.8286 6.8286 7.4664 7.4664 8.3104 8.3104 8.5680 8.5680 8.6946 8.6946 8.9440 8.9440 9.0844 9.0844 9.1285 9.1285 10.1772 10.1772 10.2466 10.2466 10.6906 10.6906 11.7967 11.7967 13.1020 13.1020 13.6189 13.6189 13.7620 13.7620 k =-0.2478 0.4279 0.6707 ( 2891 PWs) bands (ev): -29.9056 -29.9056 -11.2300 -11.2300 -10.8775 -10.8775 -10.8216 -10.8216 -1.5215 -1.5215 -0.4270 -0.4270 4.6132 4.6132 6.3582 6.3582 6.4521 6.4521 6.8375 6.8375 7.4556 7.4556 8.3106 8.3106 8.5669 8.5669 8.7128 8.7128 8.9494 8.9494 9.0835 9.0835 9.1149 9.1149 10.2117 10.2117 10.2586 10.2586 10.6932 10.6932 11.8970 11.8970 13.1708 13.1708 13.5688 13.5688 13.7424 13.7424 k =-0.2541 0.4388 0.6581 ( 2897 PWs) bands (ev): -29.9057 -29.9057 -11.2299 -11.2299 -10.8775 -10.8775 -10.8211 -10.8211 -1.5244 -1.5244 -0.4374 -0.4374 4.6018 4.6018 6.3765 6.3765 6.4663 6.4663 6.8463 6.8463 7.4459 7.4459 8.3107 8.3107 8.5660 8.5660 8.7302 8.7302 8.9534 8.9534 9.0814 9.0814 9.1030 9.1030 10.2323 10.2323 10.2851 10.2851 10.6907 10.6907 11.9961 11.9961 13.2362 13.2362 13.5211 13.5211 13.7274 13.7274 k =-0.2604 0.4497 0.6455 ( 2893 PWs) bands (ev): -29.9058 -29.9058 -11.2298 -11.2298 -10.8774 -10.8774 -10.8206 -10.8206 -1.5269 -1.5269 -0.4461 -0.4461 4.5920 4.5920 6.3912 6.3912 6.4788 6.4788 6.8547 6.8547 7.4373 7.4373 8.3110 8.3110 8.5653 8.5653 8.7464 8.7464 8.9564 8.9564 9.0760 9.0760 9.0954 9.0954 10.2408 10.2408 10.3236 10.3236 10.6828 10.6828 12.0919 12.0919 13.2966 13.2966 13.4779 13.4779 13.7157 13.7157 k =-0.2667 0.4606 0.6329 ( 2891 PWs) bands (ev): -29.9058 -29.9058 -11.2297 -11.2297 -10.8773 -10.8773 -10.8202 -10.8202 -1.5290 -1.5290 -0.4534 -0.4534 4.5839 4.5839 6.4025 6.4025 6.4895 6.4895 6.8622 6.8622 7.4301 7.4301 8.3113 8.3113 8.5648 8.5648 8.7609 8.7609 8.9586 8.9586 9.0668 9.0668 9.0927 9.0927 10.2453 10.2453 10.3650 10.3650 10.6701 10.6701 12.1814 12.1814 13.3500 13.3500 13.4410 13.4410 13.7069 13.7069 k =-0.2730 0.4715 0.6203 ( 2889 PWs) bands (ev): -29.9058 -29.9058 -11.2296 -11.2296 -10.8773 -10.8773 -10.8199 -10.8199 -1.5306 -1.5306 -0.4590 -0.4590 4.5775 4.5775 6.4108 6.4108 6.4983 6.4983 6.8685 6.8685 7.4242 7.4242 8.3115 8.3115 8.5644 8.5644 8.7733 8.7733 8.9603 8.9603 9.0571 9.0571 9.0921 9.0921 10.2480 10.2480 10.4057 10.4057 10.6530 10.6530 12.2606 12.2606 13.3914 13.3914 13.4138 13.4138 13.7003 13.7003 k =-0.2793 0.4824 0.6077 ( 2893 PWs) bands (ev): -29.9059 -29.9059 -11.2296 -11.2296 -10.8773 -10.8773 -10.8197 -10.8197 -1.5318 -1.5318 -0.4630 -0.4630 4.5729 4.5729 6.4164 6.4164 6.5048 6.5048 6.8731 6.8731 7.4200 7.4200 8.3118 8.3118 8.5641 8.5641 8.7828 8.7828 8.9615 8.9615 9.0488 9.0488 9.0921 9.0921 10.2499 10.2499 10.4428 10.4428 10.6333 10.6333 12.3243 12.3243 13.3863 13.3863 13.4293 13.4293 13.6954 13.6954 k =-0.2856 0.4933 0.5952 ( 2891 PWs) bands (ev): -29.9059 -29.9059 -11.2295 -11.2295 -10.8773 -10.8773 -10.8195 -10.8195 -1.5325 -1.5325 -0.4655 -0.4655 4.5702 4.5702 6.4197 6.4197 6.5088 6.5088 6.8760 6.8760 7.4174 7.4174 8.3119 8.3119 8.5639 8.5639 8.7889 8.7889 8.9623 8.9623 9.0433 9.0433 9.0922 9.0922 10.2509 10.2509 10.4719 10.4719 10.6149 10.6149 12.3662 12.3662 13.3736 13.3736 13.4470 13.4470 13.6732 13.6732 k =-0.2919 0.5042 0.5826 ( 2890 PWs) bands (ev): -29.9059 -29.9059 -11.2295 -11.2295 -10.8773 -10.8773 -10.8195 -10.8195 -1.5327 -1.5327 -0.4663 -0.4663 4.5693 4.5693 6.4208 6.4208 6.5101 6.5101 6.8770 6.8770 7.4165 7.4165 8.3120 8.3120 8.5638 8.5638 8.7910 8.7910 8.9627 8.9627 9.0414 9.0414 9.0923 9.0923 10.2512 10.2512 10.4839 10.4839 10.6065 10.6065 12.3810 12.3810 13.3692 13.3692 13.4526 13.4526 13.6593 13.6593 k =-0.2919 0.5042 0.5826 ( 2890 PWs) bands (ev): -29.9059 -29.9059 -11.2295 -11.2295 -10.8773 -10.8773 -10.8195 -10.8195 -1.5327 -1.5327 -0.4663 -0.4663 4.5693 4.5693 6.4208 6.4208 6.5101 6.5101 6.8770 6.8770 7.4165 7.4165 8.3120 8.3120 8.5638 8.5638 8.7910 8.7910 8.9627 8.9627 9.0414 9.0414 9.0923 9.0923 10.2512 10.2512 10.4839 10.4839 10.6065 10.6065 12.3810 12.3810 13.3692 13.3692 13.4526 13.4526 13.6593 13.6593 k =-0.2856 0.4932 0.5699 ( 2890 PWs) bands (ev): -29.9058 -29.9058 -11.2300 -11.2300 -10.8780 -10.8780 -10.8191 -10.8191 -1.5460 -1.5460 -0.4234 -0.4234 4.5445 4.5445 6.4047 6.4047 6.4949 6.4949 6.8694 6.8694 7.4247 7.4247 8.3113 8.3113 8.5903 8.5903 8.7890 8.7890 8.9532 8.9532 9.0142 9.0142 9.0830 9.0830 10.2006 10.2006 10.4589 10.4589 10.6185 10.6185 12.3131 12.3131 13.4398 13.4398 13.4806 13.4806 13.6710 13.6710 k =-0.2792 0.4823 0.5572 ( 2890 PWs) bands (ev): -29.9058 -29.9058 -11.2305 -11.2305 -10.8786 -10.8786 -10.8188 -10.8188 -1.5612 -1.5612 -0.3806 -0.3806 4.5242 4.5242 6.3883 6.3883 6.4796 6.4796 6.8624 6.8624 7.4330 7.4330 8.3083 8.3083 8.6169 8.6169 8.7881 8.7881 8.9457 8.9457 8.9872 8.9872 9.0759 9.0759 10.1511 10.1511 10.4345 10.4345 10.6321 10.6321 12.2439 12.2439 13.4873 13.4873 13.5149 13.5149 13.7049 13.7049 k =-0.2729 0.4713 0.5446 ( 2886 PWs) bands (ev): -29.9057 -29.9057 -11.2308 -11.2308 -10.8791 -10.8791 -10.8185 -10.8185 -1.5786 -1.5786 -0.3378 -0.3378 4.5081 4.5081 6.3719 6.3719 6.4642 6.4642 6.8560 6.8560 7.4413 7.4413 8.3030 8.3030 8.6434 8.6434 8.7884 8.7884 8.9399 8.9399 8.9615 8.9615 9.0707 9.0707 10.1028 10.1028 10.4114 10.4114 10.6466 10.6466 12.1738 12.1738 13.4873 13.4873 13.5839 13.5839 13.7558 13.7558 k =-0.2665 0.4603 0.5319 ( 2882 PWs) bands (ev): -29.9057 -29.9057 -11.2311 -11.2311 -10.8795 -10.8795 -10.8183 -10.8183 -1.5980 -1.5980 -0.2953 -0.2953 4.4963 4.4963 6.3553 6.3553 6.4491 6.4491 6.8502 6.8502 7.4497 7.4497 8.2954 8.2954 8.6697 8.6697 8.7889 8.7889 8.9322 8.9322 8.9419 8.9419 9.0673 9.0673 10.0557 10.0557 10.3897 10.3897 10.6618 10.6618 12.1031 12.1031 13.4808 13.4808 13.6515 13.6515 13.8164 13.8164 k =-0.2602 0.4494 0.5193 ( 2890 PWs) bands (ev): -29.9057 -29.9057 -11.2313 -11.2313 -10.8797 -10.8797 -10.8181 -10.8181 -1.6193 -1.6193 -0.2532 -0.2532 4.4887 4.4887 6.3382 6.3382 6.4349 6.4349 6.8449 6.8449 7.4581 7.4581 8.2857 8.2857 8.6951 8.6951 8.7885 8.7885 8.9143 8.9143 8.9381 8.9381 9.0655 9.0655 10.0098 10.0098 10.3696 10.3696 10.6777 10.6777 12.0320 12.0320 13.4727 13.4727 13.7132 13.7132 13.8736 13.8736 k =-0.2538 0.4384 0.5066 ( 2890 PWs) bands (ev): -29.9057 -29.9057 -11.2313 -11.2313 -10.8799 -10.8799 -10.8179 -10.8179 -1.6426 -1.6426 -0.2115 -0.2115 4.4850 4.4850 6.3201 6.3201 6.4225 6.4225 6.8403 6.8403 7.4665 7.4665 8.2739 8.2739 8.7184 8.7184 8.7863 8.7863 8.8999 8.8999 8.9392 8.9392 9.0653 9.0653 9.9654 9.9654 10.3510 10.3510 10.6943 10.6943 11.9607 11.9607 13.4649 13.4649 13.7642 13.7642 13.9219 13.9219 k =-0.2475 0.4275 0.4939 ( 2890 PWs) bands (ev): -29.9057 -29.9057 -11.2313 -11.2313 -10.8798 -10.8798 -10.8177 -10.8177 -1.6678 -1.6678 -0.1704 -0.1704 4.4851 4.4851 6.3006 6.3006 6.4130 6.4130 6.8363 6.8363 7.4749 7.4749 8.2603 8.2603 8.7353 8.7353 8.7842 8.7842 8.8933 8.8933 8.9427 8.9427 9.0667 9.0667 9.9223 9.9223 10.3341 10.3341 10.7116 10.7116 11.8895 11.8895 13.4584 13.4584 13.8009 13.8009 13.9779 13.9779 k =-0.2411 0.4165 0.4813 ( 2894 PWs) bands (ev): -29.9057 -29.9057 -11.2312 -11.2312 -10.8797 -10.8797 -10.8176 -10.8176 -1.6947 -1.6947 -0.1300 -0.1300 4.4887 4.4887 6.2794 6.2794 6.4069 6.4069 6.8329 6.8329 7.4834 7.4834 8.2451 8.2451 8.7352 8.7352 8.7922 8.7922 8.8952 8.8952 8.9484 8.9484 9.0694 9.0694 9.8808 9.8808 10.3187 10.3187 10.7297 10.7297 11.8185 11.8185 13.4535 13.4535 13.8231 13.8231 14.0414 14.0414 k =-0.2348 0.4055 0.4686 ( 2894 PWs) bands (ev): -29.9057 -29.9057 -11.2309 -11.2309 -10.8794 -10.8794 -10.8176 -10.8176 -1.7232 -1.7232 -0.0905 -0.0905 4.4955 4.4955 6.2568 6.2568 6.4048 6.4048 6.8300 6.8300 7.4918 7.4918 8.2284 8.2284 8.7194 8.7194 8.8104 8.8104 8.9039 8.9039 8.9564 8.9564 9.0736 9.0736 9.8408 9.8408 10.3050 10.3050 10.7485 10.7485 11.7479 11.7479 13.4505 13.4505 13.8327 13.8327 14.1094 14.1094 k =-0.2284 0.3946 0.4559 ( 2894 PWs) bands (ev): -29.9058 -29.9058 -11.2306 -11.2306 -10.8790 -10.8790 -10.8176 -10.8176 -1.7533 -1.7533 -0.0518 -0.0518 4.5050 4.5050 6.2332 6.2332 6.4066 6.4066 6.8279 6.8279 7.5003 7.5003 8.2106 8.2106 8.6970 8.6970 8.8312 8.8312 8.9176 8.9176 8.9665 8.9665 9.0789 9.0789 9.8023 9.8023 10.2928 10.2928 10.7682 10.7682 11.6779 11.6779 13.4495 13.4495 13.8314 13.8314 14.1792 14.1792 k =-0.2221 0.3836 0.4433 ( 2898 PWs) bands (ev): -29.9058 -29.9058 -11.2302 -11.2302 -10.8784 -10.8784 -10.8176 -10.8176 -1.7847 -1.7847 -0.0142 -0.0142 4.5169 4.5169 6.2094 6.2094 6.4123 6.4123 6.8262 6.8262 7.5087 7.5087 8.1917 8.1917 8.6718 8.6718 8.8522 8.8522 8.9345 8.9345 8.9789 8.9789 9.0854 9.0854 9.7655 9.7655 10.2822 10.2822 10.7886 10.7886 11.6085 11.6085 13.4505 13.4505 13.8201 13.8201 14.2493 14.2493 k =-0.2158 0.3726 0.4306 ( 2894 PWs) bands (ev): -29.9059 -29.9059 -11.2296 -11.2296 -10.8777 -10.8777 -10.8176 -10.8176 -1.8174 -1.8174 0.0223 0.0223 4.5307 4.5307 6.1861 6.1861 6.4220 6.4220 6.8252 6.8252 7.5172 7.5172 8.1720 8.1720 8.6453 8.6453 8.8726 8.8726 8.9536 8.9536 8.9937 8.9937 9.0929 9.0929 9.7305 9.7305 10.2731 10.2731 10.8100 10.8100 11.5400 11.5400 13.4535 13.4535 13.7994 13.7994 14.3184 14.3184 k =-0.2094 0.3617 0.4179 ( 2886 PWs) bands (ev): -29.9059 -29.9059 -11.2290 -11.2290 -10.8769 -10.8769 -10.8177 -10.8177 -1.8511 -1.8511 0.0576 0.0576 4.5458 4.5458 6.1639 6.1639 6.4355 6.4355 6.8247 6.8247 7.5256 7.5256 8.1517 8.1517 8.6182 8.6182 8.8922 8.8922 8.9740 8.9740 9.0108 9.0108 9.1014 9.1014 9.6974 9.6974 10.2657 10.2657 10.8323 10.8323 11.4725 11.4725 13.4586 13.4586 13.7700 13.7700 14.3859 14.3859 k =-0.2031 0.3507 0.4053 ( 2886 PWs) bands (ev): -29.9060 -29.9060 -11.2283 -11.2283 -10.8760 -10.8760 -10.8178 -10.8178 -1.8858 -1.8858 0.0917 0.0917 4.5616 4.5616 6.1438 6.1438 6.4528 6.4528 6.8248 6.8248 7.5340 7.5340 8.1308 8.1308 8.5909 8.5909 8.9110 8.9110 8.9950 8.9950 9.0302 9.0302 9.1106 9.1106 9.6660 9.6660 10.2599 10.2599 10.8554 10.8554 11.4059 11.4059 13.4656 13.4656 13.7326 13.7326 14.4512 14.4512 k =-0.1967 0.3398 0.3926 ( 2888 PWs) bands (ev): -29.9061 -29.9061 -11.2275 -11.2275 -10.8749 -10.8749 -10.8179 -10.8179 -1.9212 -1.9212 0.1243 0.1243 4.5775 4.5775 6.1263 6.1263 6.4737 6.4737 6.8253 6.8253 7.5424 7.5424 8.1095 8.1095 8.5635 8.5635 8.9289 8.9289 9.0162 9.0162 9.0515 9.0515 9.1207 9.1207 9.6368 9.6368 10.2557 10.2557 10.8795 10.8795 11.3405 11.3405 13.4746 13.4746 13.6881 13.6881 14.5138 14.5138 k =-0.1904 0.3288 0.3799 ( 2884 PWs) bands (ev): -29.9062 -29.9062 -11.2266 -11.2266 -10.8737 -10.8737 -10.8181 -10.8181 -1.9573 -1.9573 0.1556 0.1556 4.5928 4.5928 6.1122 6.1122 6.4984 6.4984 6.8265 6.8265 7.5508 7.5508 8.0880 8.0880 8.5364 8.5364 8.9462 8.9462 9.0377 9.0377 9.0740 9.0740 9.1315 9.1315 9.6097 9.6097 10.2533 10.2533 10.9044 10.9044 11.2762 11.2762 13.4855 13.4855 13.6376 13.6376 14.5734 14.5734 k =-0.1840 0.3178 0.3673 ( 2888 PWs) bands (ev): -29.9063 -29.9063 -11.2257 -11.2257 -10.8725 -10.8725 -10.8183 -10.8183 -1.9938 -1.9938 0.1854 0.1854 4.6070 4.6070 6.1021 6.1021 6.5266 6.5266 6.8280 6.8280 7.5590 7.5590 8.0663 8.0663 8.5095 8.5095 8.9628 8.9628 9.0595 9.0595 9.0968 9.0968 9.1434 9.1434 9.5847 9.5847 10.2528 10.2528 10.9302 10.9302 11.2132 11.2132 13.4981 13.4981 13.5820 13.5820 14.6296 14.6296 k =-0.1777 0.3069 0.3546 ( 2876 PWs) bands (ev): -29.9064 -29.9064 -11.2247 -11.2247 -10.8710 -10.8710 -10.8185 -10.8185 -2.0306 -2.0306 0.2137 0.2137 4.6194 4.6194 6.0967 6.0967 6.5582 6.5582 6.8301 6.8301 7.5673 7.5673 8.0446 8.0446 8.4830 8.4830 8.9788 8.9788 9.0816 9.0816 9.1191 9.1191 9.1570 9.1570 9.5621 9.5621 10.2541 10.2541 10.9567 10.9567 11.1518 11.1518 13.5099 13.5099 13.5248 13.5248 14.6823 14.6823 k =-0.1713 0.2959 0.3419 ( 2880 PWs) bands (ev): -29.9065 -29.9065 -11.2237 -11.2237 -10.8696 -10.8696 -10.8188 -10.8188 -2.0675 -2.0675 0.2405 0.2405 4.6295 4.6295 6.0964 6.0964 6.5933 6.5933 6.8326 6.8326 7.5754 7.5754 8.0229 8.0229 8.4569 8.4569 8.9941 8.9941 9.1038 9.1038 9.1391 9.1391 9.1732 9.1732 9.5420 9.5420 10.2575 10.2575 10.9834 10.9834 11.0925 11.0925 13.4576 13.4576 13.5300 13.5300 14.7311 14.7311 k =-0.1650 0.2850 0.3293 ( 2880 PWs) bands (ev): -29.9066 -29.9066 -11.2226 -11.2226 -10.8680 -10.8680 -10.8191 -10.8191 -2.1044 -2.1044 0.2658 0.2658 4.6369 4.6369 6.1016 6.1016 6.6316 6.6316 6.8355 6.8355 7.5835 7.5835 8.0014 8.0014 8.4312 8.4312 9.0088 9.0088 9.1259 9.1259 9.1559 9.1559 9.1930 9.1930 9.5243 9.5243 10.2630 10.2630 11.0041 11.0041 11.0415 11.0415 13.3920 13.3920 13.5478 13.5478 14.7756 14.7756 k =-0.1586 0.2740 0.3166 ( 2880 PWs) bands (ev): -29.9068 -29.9068 -11.2215 -11.2215 -10.8663 -10.8663 -10.8194 -10.8194 -2.1412 -2.1412 0.2895 0.2895 4.6412 4.6412 6.1125 6.1125 6.6729 6.6729 6.8388 6.8388 7.5915 7.5915 7.9800 7.9800 8.4061 8.4061 9.0228 9.0228 9.1476 9.1476 9.1701 9.1701 9.2156 9.2156 9.5095 9.5095 10.2708 10.2708 10.9691 10.9691 11.0485 11.0485 13.3244 13.3244 13.5673 13.5673 14.8154 14.8154 k =-0.1523 0.2630 0.3040 ( 2874 PWs) bands (ev): -29.9069 -29.9069 -11.2204 -11.2204 -10.8646 -10.8646 -10.8197 -10.8197 -2.1776 -2.1776 0.3117 0.3117 4.6423 4.6423 6.1291 6.1291 6.7170 6.7170 6.8425 6.8425 7.5993 7.5993 7.9590 7.9590 8.3816 8.3816 9.0361 9.0361 9.1677 9.1677 9.1840 9.1840 9.2395 9.2395 9.4975 9.4975 10.2811 10.2811 10.9148 10.9148 11.0769 11.0769 13.2556 13.2556 13.5885 13.5885 14.8501 14.8501 k =-0.1460 0.2521 0.2913 ( 2878 PWs) bands (ev): -29.9071 -29.9071 -11.2193 -11.2193 -10.8628 -10.8628 -10.8200 -10.8200 -2.2136 -2.2136 0.3324 0.3324 4.6402 4.6402 6.1512 6.1512 6.7636 6.7636 6.8468 6.8468 7.6070 7.6070 7.9382 7.9382 8.3576 8.3576 9.0485 9.0485 9.1836 9.1836 9.2006 9.2006 9.2640 9.2640 9.4885 9.4885 10.2940 10.2940 10.8606 10.8606 11.1076 11.1076 13.1862 13.1862 13.6112 13.6112 14.8788 14.8788 k =-0.1396 0.2411 0.2786 ( 2878 PWs) bands (ev): -29.9072 -29.9072 -11.2182 -11.2182 -10.8609 -10.8609 -10.8203 -10.8203 -2.2490 -2.2490 0.3516 0.3516 4.6349 4.6349 6.1786 6.1786 6.8114 6.8114 6.8525 6.8525 7.6146 7.6146 7.9179 7.9179 8.3344 8.3344 9.0601 9.0601 9.1950 9.1950 9.2206 9.2206 9.2885 9.2885 9.4825 9.4825 10.3097 10.3097 10.8077 10.8077 11.1392 11.1392 13.1165 13.1165 13.6352 13.6352 14.9005 14.9005 k =-0.1333 0.2302 0.2660 ( 2879 PWs) bands (ev): -29.9073 -29.9073 -11.2170 -11.2170 -10.8590 -10.8590 -10.8207 -10.8207 -2.2837 -2.2837 0.3693 0.3693 4.6269 4.6269 6.2107 6.2107 6.8478 6.8478 6.8719 6.8719 7.6221 7.6221 7.8980 7.8980 8.3118 8.3118 9.0707 9.0707 9.2041 9.2041 9.2418 9.2418 9.3129 9.3129 9.4796 9.4796 10.3284 10.3284 10.7562 10.7562 11.1717 11.1717 13.0471 13.0471 13.6604 13.6604 14.9137 14.9137 k =-0.1269 0.2192 0.2533 ( 2883 PWs) bands (ev): -29.9075 -29.9075 -11.2159 -11.2159 -10.8571 -10.8571 -10.8210 -10.8210 -2.3176 -2.3176 0.3857 0.3857 4.6162 4.6162 6.2470 6.2470 6.8567 6.8567 6.9208 6.9208 7.6293 7.6293 7.8786 7.8786 8.2900 8.2900 9.0804 9.0804 9.2119 9.2119 9.2631 9.2631 9.3367 9.3367 9.4797 9.4797 10.3503 10.3503 10.7063 10.7063 11.2047 11.2047 12.9781 12.9781 13.6869 13.6869 14.9163 14.9163 k =-0.1206 0.2082 0.2406 ( 2889 PWs) bands (ev): -29.9076 -29.9076 -11.2148 -11.2148 -10.8552 -10.8552 -10.8214 -10.8214 -2.3505 -2.3505 0.4006 0.4006 4.6035 4.6035 6.2869 6.2869 6.8622 6.8622 6.9747 6.9747 7.6364 7.6364 7.8598 7.8598 8.2689 8.2689 9.0891 9.0891 9.2187 9.2187 9.2843 9.2843 9.3601 9.3601 9.4829 9.4829 10.3753 10.3753 10.6582 10.6582 11.2382 11.2382 12.9099 12.9099 13.7143 13.7143 14.9056 14.9056 k =-0.1142 0.1973 0.2280 ( 2893 PWs) bands (ev): -29.9078 -29.9078 -11.2138 -11.2138 -10.8532 -10.8532 -10.8218 -10.8218 -2.3824 -2.3824 0.4143 0.4143 4.5889 4.5889 6.3297 6.3297 6.8673 6.8673 7.0300 7.0300 7.6434 7.6434 7.8416 7.8416 8.2486 8.2486 9.0971 9.0971 9.2246 9.2246 9.3053 9.3053 9.3827 9.3827 9.4887 9.4887 10.4036 10.4036 10.6120 10.6120 11.2720 11.2720 12.8426 12.8426 13.7427 13.7427 14.8784 14.8784 k =-0.1079 0.1863 0.2153 ( 2903 PWs) bands (ev): -29.9079 -29.9079 -11.2128 -11.2128 -10.8513 -10.8513 -10.8221 -10.8221 -2.4131 -2.4131 0.4267 0.4267 4.5731 4.5731 6.3746 6.3746 6.8724 6.8724 7.0860 7.0860 7.6501 7.6501 7.8240 7.8240 8.2292 8.2292 9.1044 9.1044 9.2297 9.2297 9.3258 9.3258 9.4045 9.4045 9.4972 9.4972 10.4345 10.4345 10.5686 10.5686 11.3059 11.3059 12.7763 12.7763 13.7719 13.7719 14.8323 14.8323 k =-0.1015 0.1754 0.2026 ( 2903 PWs) bands (ev): -29.9081 -29.9081 -11.2117 -11.2117 -10.8493 -10.8493 -10.8225 -10.8225 -2.4426 -2.4426 0.4380 0.4380 4.5563 4.5563 6.4211 6.4211 6.8774 6.8774 7.1421 7.1421 7.6568 7.6568 7.8072 7.8072 8.2107 8.2107 9.1112 9.1112 9.2341 9.2341 9.3461 9.3461 9.4255 9.4255 9.5080 9.5080 10.4636 10.4636 10.5327 10.5327 11.3400 11.3400 12.7110 12.7110 13.8017 13.8017 14.7670 14.7670 k =-0.0952 0.1644 0.1900 ( 2905 PWs) bands (ev): -29.9082 -29.9082 -11.2108 -11.2108 -10.8474 -10.8474 -10.8228 -10.8228 -2.4707 -2.4707 0.4481 0.4481 4.5390 4.5390 6.4683 6.4683 6.8825 6.8825 7.1979 7.1979 7.6632 7.6632 7.7912 7.7912 8.1930 8.1930 9.1177 9.1177 9.2377 9.2377 9.3659 9.3659 9.4457 9.4457 9.5208 9.5208 10.4626 10.4626 10.5328 10.5328 11.3738 11.3738 12.6468 12.6468 13.8318 13.8318 14.6844 14.6844 k =-0.0888 0.1534 0.1773 ( 2905 PWs) bands (ev): -29.9084 -29.9084 -11.2098 -11.2098 -10.8455 -10.8455 -10.8231 -10.8231 -2.4974 -2.4974 0.4572 0.4572 4.5214 4.5214 6.5157 6.5157 6.8875 6.8875 7.2527 7.2527 7.6695 7.6695 7.7760 7.7760 8.1764 8.1764 9.1240 9.1240 9.2405 9.2405 9.3852 9.3852 9.4651 9.4651 9.5352 9.5352 10.4300 10.4300 10.5704 10.5704 11.4073 11.4073 12.5835 12.5835 13.8622 13.8622 14.5887 14.5887 k =-0.0825 0.1425 0.1646 ( 2905 PWs) bands (ev): -29.9085 -29.9085 -11.2089 -11.2089 -10.8437 -10.8437 -10.8234 -10.8234 -2.5225 -2.5225 0.4654 0.4654 4.5039 4.5039 6.5626 6.5626 6.8925 6.8925 7.3060 7.3060 7.6756 7.6756 7.7616 7.7616 8.1607 8.1607 9.1302 9.1302 9.2426 9.2426 9.4039 9.4039 9.4838 9.4838 9.5510 9.5510 10.3933 10.3933 10.6181 10.6181 11.4403 11.4403 12.5210 12.5210 13.8926 13.8926 14.4840 14.4840 k =-0.0761 0.1315 0.1520 ( 2913 PWs) bands (ev): -29.9086 -29.9086 -11.2081 -11.2081 -10.8420 -10.8420 -10.8237 -10.8237 -2.5461 -2.5461 0.4726 0.4726 4.4868 4.4868 6.6083 6.6083 6.8974 6.8974 7.3573 7.3573 7.6817 7.6817 7.7482 7.7482 8.1459 8.1459 9.1366 9.1366 9.2440 9.2440 9.4219 9.4219 9.5019 9.5019 9.5675 9.5675 10.3572 10.3572 10.6713 10.6713 11.4725 11.4725 12.4589 12.4589 13.9226 13.9226 14.3743 14.3743 k =-0.0698 0.1206 0.1393 ( 2913 PWs) bands (ev): -29.9087 -29.9087 -11.2074 -11.2074 -10.8404 -10.8404 -10.8239 -10.8239 -2.5681 -2.5681 0.4789 0.4789 4.4703 4.4703 6.6523 6.6523 6.9022 6.9022 7.4059 7.4059 7.6877 7.6877 7.7357 7.7357 8.1322 8.1322 9.1430 9.1430 9.2447 9.2447 9.4392 9.4392 9.5194 9.5194 9.5847 9.5847 10.3224 10.3224 10.7294 10.7294 11.5036 11.5036 12.3972 12.3972 13.9520 13.9520 14.2630 14.2630 k =-0.0635 0.1096 0.1266 ( 2917 PWs) bands (ev): -29.9089 -29.9089 -11.2067 -11.2067 -10.8388 -10.8388 -10.8241 -10.8241 -2.5883 -2.5883 0.4845 0.4845 4.4546 4.4546 6.6941 6.6941 6.9069 6.9069 7.4514 7.4514 7.6937 7.6937 7.7242 7.7242 8.1197 8.1197 9.1497 9.1497 9.2448 9.2448 9.4555 9.4555 9.5365 9.5365 9.6022 9.6022 10.2892 10.2892 10.7918 10.7918 11.5334 11.5334 12.3352 12.3352 13.9799 13.9799 14.1532 14.1533 k =-0.0571 0.0986 0.1140 ( 2921 PWs) bands (ev): -29.9090 -29.9090 -11.2060 -11.2060 -10.8375 -10.8375 -10.8243 -10.8243 -2.6068 -2.6068 0.4893 0.4893 4.4399 4.4399 6.7330 6.7330 6.9117 6.9117 7.4930 7.4930 7.6997 7.6997 7.7138 7.7138 8.1082 8.1082 9.1565 9.1565 9.2442 9.2442 9.4706 9.4706 9.5531 9.5531 9.6196 9.6196 10.2580 10.2580 10.8584 10.8584 11.5616 11.5616 12.2727 12.2727 14.0016 14.0016 14.0519 14.0519 k =-0.0508 0.0877 0.1013 ( 2921 PWs) bands (ev): -29.9090 -29.9090 -11.2054 -11.2054 -10.8362 -10.8362 -10.8244 -10.8244 -2.6235 -2.6235 0.4935 0.4935 4.4264 4.4264 6.7687 6.7687 6.9164 6.9164 7.5303 7.5303 7.7026 7.7026 7.7080 7.7080 8.0979 8.0979 9.1634 9.1634 9.2430 9.2430 9.4843 9.4843 9.5691 9.5691 9.6368 9.6368 10.2290 10.2290 10.9288 10.9288 11.5879 11.5879 12.2091 12.2091 13.9387 13.9387 14.0390 14.0390 k =-0.0444 0.0767 0.0887 ( 2917 PWs) bands (ev): -29.9091 -29.9091 -11.2049 -11.2049 -10.8351 -10.8351 -10.8245 -10.8245 -2.6383 -2.6383 0.4971 0.4971 4.4142 4.4142 6.8006 6.8006 6.9212 6.9212 7.5627 7.5627 7.6951 7.6951 7.7140 7.7140 8.0887 8.0887 9.1704 9.1704 9.2413 9.2413 9.4967 9.4967 9.5843 9.5843 9.6535 9.6535 10.2021 10.2021 11.0027 11.0027 11.6120 11.6120 12.1441 12.1441 13.8461 13.8461 14.0612 14.0612 k =-0.0381 0.0658 0.0760 ( 2911 PWs) bands (ev): -29.9092 -29.9092 -11.2044 -11.2044 -10.8341 -10.8341 -10.8246 -10.8246 -2.6512 -2.6512 0.5001 0.5001 4.4034 4.4034 6.8281 6.8281 6.9262 6.9262 7.5898 7.5898 7.6879 7.6879 7.7216 7.7216 8.0808 8.0808 9.1774 9.1774 9.2391 9.2391 9.5076 9.5076 9.5986 9.5986 9.6693 9.6693 10.1778 10.1778 11.0795 11.0795 11.6336 11.6336 12.0773 12.0773 13.7611 13.7611 14.0822 14.0822 k =-0.0317 0.0548 0.0633 ( 2905 PWs) bands (ev): -29.9092 -29.9092 -11.2040 -11.2040 -10.8332 -10.8332 -10.8246 -10.8246 -2.6622 -2.6622 0.5025 0.5025 4.3941 4.3941 6.8508 6.8508 6.9317 6.9317 7.6114 7.6114 7.6816 7.6816 7.7297 7.7297 8.0740 8.0740 9.1844 9.1844 9.2363 9.2363 9.5169 9.5169 9.6114 9.6114 9.6839 9.6839 10.1562 10.1562 11.1586 11.1586 11.6522 11.6522 12.0084 12.0084 13.6863 13.6863 14.1005 14.1005 k =-0.0254 0.0438 0.0507 ( 2885 PWs) bands (ev): -29.9093 -29.9093 -11.2036 -11.2036 -10.8325 -10.8325 -10.8245 -10.8245 -2.6712 -2.6712 0.5045 0.5045 4.3864 4.3864 6.8684 6.8684 6.9375 6.9375 7.6278 7.6278 7.6765 7.6765 7.7380 7.7380 8.0686 8.0686 9.1912 9.1912 9.2331 9.2331 9.5246 9.5246 9.6227 9.6227 9.6969 9.6969 10.1378 10.1378 11.2391 11.2391 11.6676 11.6676 11.9378 11.9378 13.6233 13.6233 14.1154 14.1154 k =-0.0190 0.0329 0.0380 ( 2883 PWs) bands (ev): -29.9093 -29.9093 -11.2034 -11.2034 -10.8320 -10.8320 -10.8245 -10.8245 -2.6782 -2.6782 0.5060 0.5060 4.3803 4.3803 6.8809 6.8809 6.9434 6.9434 7.6395 7.6395 7.6724 7.6724 7.7457 7.7457 8.0643 8.0643 9.1977 9.1977 9.2294 9.2294 9.5306 9.5306 9.6319 9.6319 9.7077 9.7077 10.1227 10.1227 11.3194 11.3194 11.6792 11.6792 11.8666 11.8666 13.5731 13.5731 14.1264 14.1264 k =-0.0127 0.0219 0.0253 ( 2875 PWs) bands (ev): -29.9093 -29.9093 -11.2032 -11.2032 -10.8316 -10.8316 -10.8244 -10.8244 -2.6833 -2.6833 0.5071 0.5071 4.3760 4.3760 6.8889 6.8889 6.9487 6.9487 7.6472 7.6472 7.6693 7.6693 7.7520 7.7520 8.0614 8.0614 9.2038 9.2038 9.2252 9.2252 9.5349 9.5349 9.6388 9.6388 9.7160 9.7160 10.1115 10.1115 11.3969 11.3969 11.6854 11.6854 11.7981 11.7981 13.5367 13.5367 14.1333 14.1333 k =-0.0063 0.0110 0.0127 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2031 -11.2031 -10.8314 -10.8314 -10.8244 -10.8244 -2.6863 -2.6863 0.5077 0.5077 4.3733 4.3733 6.8932 6.8932 6.9523 6.9523 7.6517 7.6517 7.6674 7.6674 7.7561 7.7561 8.0596 8.0596 9.2095 9.2095 9.2208 9.2208 9.5375 9.5375 9.6430 9.6430 9.7211 9.7211 10.1046 10.1046 11.4640 11.4640 11.6809 11.6809 11.7450 11.7450 13.5146 13.5146 14.1367 14.1367 k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2030 -11.2030 -10.8314 -10.8314 -10.8244 -10.8244 -2.6873 -2.6873 0.5079 0.5079 4.3725 4.3725 6.8946 6.8946 6.9536 6.9536 7.6532 7.6532 7.6667 7.6667 7.7575 7.7575 8.0590 8.0590 9.2134 9.2134 9.2173 9.2173 9.5383 9.5383 9.6445 9.6445 9.7228 9.7228 10.1023 10.1023 11.4959 11.4959 11.6690 11.6690 11.7281 11.7281 13.5072 13.5072 14.1376 14.1376 k = 0.0000 0.0000 0.0000 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2030 -11.2030 -10.8314 -10.8314 -10.8244 -10.8244 -2.6873 -2.6873 0.5079 0.5079 4.3725 4.3725 6.8946 6.8946 6.9536 6.9536 7.6532 7.6532 7.6667 7.6667 7.7575 7.7575 8.0590 8.0590 9.2134 9.2134 9.2173 9.2173 9.5383 9.5383 9.6445 9.6445 9.7228 9.7228 10.1023 10.1023 11.4959 11.4959 11.6690 11.6690 11.7281 11.7281 13.5072 13.5072 14.1376 14.1376 k = 0.0156 0.0090-0.0000 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2030 -11.2030 -10.8314 -10.8314 -10.8244 -10.8244 -2.6860 -2.6860 0.5040 0.5040 4.3768 4.3768 6.8949 6.8949 6.9539 6.9539 7.6522 7.6522 7.6664 7.6664 7.7566 7.7566 8.0590 8.0590 9.2120 9.2120 9.2183 9.2183 9.5384 9.5384 9.6445 9.6445 9.7229 9.7229 10.1023 10.1023 11.4972 11.4972 11.6716 11.6716 11.7309 11.7309 13.5010 13.5010 14.1456 14.1456 k = 0.0312 0.0181-0.0000 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2031 -11.2031 -10.8314 -10.8314 -10.8245 -10.8245 -2.6823 -2.6823 0.4921 0.4921 4.3898 4.3898 6.8956 6.8956 6.9547 6.9547 7.6495 7.6495 7.6654 7.6654 7.7540 7.7540 8.0591 8.0591 9.2079 9.2079 9.2212 9.2212 9.5385 9.5385 9.6447 9.6447 9.7230 9.7230 10.1023 10.1023 11.5010 11.5010 11.6796 11.6796 11.7391 11.7391 13.4834 13.4834 14.1685 14.1685 k = 0.0469 0.0271-0.0000 ( 2873 PWs) bands (ev): -29.9094 -29.9094 -11.2031 -11.2031 -10.8314 -10.8314 -10.8246 -10.8246 -2.6760 -2.6760 0.4726 0.4726 4.4112 4.4112 6.8968 6.8968 6.9560 6.9560 7.6451 7.6451 7.6638 7.6638 7.7496 7.7496 8.0593 8.0593 9.2011 9.2011 9.2262 9.2262 9.5387 9.5387 9.6450 9.6450 9.7234 9.7234 10.1023 10.1023 11.5074 11.5074 11.6928 11.6928 11.7529 11.7529 13.4569 13.4569 14.2037 14.2037 k = 0.0625 0.0362-0.0000 ( 2897 PWs) bands (ev): -29.9094 -29.9094 -11.2032 -11.2032 -10.8314 -10.8314 -10.8249 -10.8249 -2.6672 -2.6672 0.4457 0.4457 4.4404 4.4404 6.8984 6.8984 6.9579 6.9579 7.6389 7.6389 7.6616 7.6616 7.7433 7.7433 8.0594 8.0594 9.1918 9.1918 9.2330 9.2330 9.5387 9.5387 9.6452 9.6452 9.7236 9.7236 10.1023 10.1023 11.5160 11.5160 11.7111 11.7111 11.7720 11.7720 13.4240 13.4240 14.2480 14.2480 k = 0.0781 0.0452-0.0000 ( 2905 PWs) bands (ev): -29.9094 -29.9094 -11.2034 -11.2034 -10.8315 -10.8315 -10.8251 -10.8251 -2.6560 -2.6560 0.4119 0.4119 4.4770 4.4770 6.9006 6.9006 6.9602 6.9602 7.6314 7.6314 7.6588 7.6588 7.7355 7.7355 8.0596 8.0596 9.1802 9.1802 9.2421 9.2421 9.5389 9.5389 9.6457 9.6457 9.7241 9.7241 10.1023 10.1023 11.5269 11.5269 11.7345 11.7345 11.7962 11.7962 13.3874 13.3874 14.2982 14.2982 k = 0.0938 0.0543-0.0000 ( 2909 PWs) bands (ev): -29.9094 -29.9094 -11.2035 -11.2035 -10.8315 -10.8315 -10.8253 -10.8253 -2.6422 -2.6422 0.3717 0.3717 4.5204 4.5204 6.9032 6.9032 6.9632 6.9632 7.6226 7.6226 7.6557 7.6557 7.7261 7.7261 8.0601 8.0601 9.1662 9.1662 9.2534 9.2534 9.5392 9.5392 9.6464 9.6464 9.7249 9.7249 10.1023 10.1023 11.5397 11.5397 11.7627 11.7627 11.8255 11.8255 13.3488 13.3488 14.3518 14.3519 k = 0.1094 0.0633-0.0000 ( 2908 PWs) bands (ev): -29.9094 -29.9094 -11.2036 -11.2036 -10.8315 -10.8315 -10.8256 -10.8256 -2.6260 -2.6260 0.3255 0.3255 4.5696 4.5696 6.9063 6.9063 6.9666 6.9666 7.6124 7.6124 7.6525 7.6525 7.7153 7.7153 8.0606 8.0606 9.1505 9.1505 9.2670 9.2670 9.5395 9.5395 9.6474 9.6474 9.7258 9.7258 10.1023 10.1023 11.5543 11.5543 11.7957 11.7957 11.8596 11.8596 13.3095 13.3095 14.4014 14.4042 k = 0.1250 0.0724-0.0000 ( 2916 PWs) bands (ev): -29.9094 -29.9094 -11.2037 -11.2037 -10.8315 -10.8315 -10.8259 -10.8259 -2.6074 -2.6074 0.2741 0.2741 4.6239 4.6239 6.9098 6.9098 6.9705 6.9705 7.6010 7.6010 7.6494 7.6494 7.7029 7.7029 8.0612 8.0612 9.1331 9.1331 9.2829 9.2829 9.5399 9.5399 9.6487 9.6487 9.7270 9.7270 10.1022 10.1022 11.5704 11.5704 11.8331 11.8331 11.8982 11.8982 13.2705 13.2705 14.4406 14.4406 k = 0.1406 0.0814-0.0000 ( 2920 PWs) bands (ev): -29.9094 -29.9094 -11.2039 -11.2039 -10.8316 -10.8316 -10.8263 -10.8263 -2.5863 -2.5863 0.2180 0.2180 4.6824 4.6824 6.9139 6.9139 6.9750 6.9750 7.5884 7.5884 7.6467 7.6467 7.6893 7.6893 8.0619 8.0619 9.1143 9.1143 9.3014 9.3014 9.5402 9.5402 9.6502 9.6502 9.7283 9.7283 10.1022 10.1022 11.5877 11.5877 11.8749 11.8749 11.9412 11.9412 13.2322 13.2322 14.4853 14.4854 k = 0.1562 0.0905-0.0000 ( 2920 PWs) bands (ev): -29.9094 -29.9094 -11.2040 -11.2040 -10.8316 -10.8316 -10.8266 -10.8266 -2.5629 -2.5629 0.1577 0.1577 4.7441 4.7441 6.9184 6.9184 6.9802 6.9802 7.5747 7.5747 7.6449 7.6449 7.6744 7.6744 8.0626 8.0626 9.0944 9.0944 9.3225 9.3225 9.5406 9.5406 9.6521 9.6521 9.7298 9.7298 10.1023 10.1023 11.6059 11.6059 11.9207 11.9207 11.9884 11.9884 13.1950 13.1950 14.5352 14.5353 k = 0.1719 0.0995-0.0000 ( 2908 PWs) bands (ev): -29.9094 -29.9094 -11.2042 -11.2042 -10.8315 -10.8315 -10.8270 -10.8270 -2.5370 -2.5370 0.0938 0.0938 4.8081 4.8081 6.9236 6.9236 6.9859 6.9859 7.5601 7.5601 7.6441 7.6441 7.6585 7.6585 8.0635 8.0635 9.0737 9.0737 9.3464 9.3464 9.5410 9.5410 9.6546 9.6546 9.7317 9.7317 10.1023 10.1023 11.6248 11.6248 11.9704 11.9704 12.0395 12.0395 13.1593 13.1593 14.5950 14.5973 k = 0.1875 0.1086-0.0000 ( 2908 PWs) bands (ev): -29.9093 -29.9093 -11.2043 -11.2043 -10.8316 -10.8316 -10.8274 -10.8274 -2.5089 -2.5089 0.0268 0.0268 4.8735 4.8735 6.9292 6.9292 6.9921 6.9921 7.5446 7.5446 7.6415 7.6415 7.6447 7.6447 8.0644 8.0644 9.0522 9.0522 9.3733 9.3733 9.5413 9.5413 9.6574 9.6574 9.7336 9.7336 10.1023 10.1023 11.6440 11.6440 12.0235 12.0235 12.0940 12.0940 13.1251 13.1251 14.5986 14.5987 k = 0.2031 0.1176-0.0000 ( 2920 PWs) bands (ev): -29.9093 -29.9093 -11.2046 -11.2046 -10.8316 -10.8316 -10.8278 -10.8278 -2.4784 -2.4784 -0.0427 -0.0427 4.9394 4.9394 6.9352 6.9352 6.9989 6.9989 7.5283 7.5283 7.6236 7.6236 7.6469 7.6469 8.0653 8.0653 9.0304 9.0304 9.4032 9.4032 9.5417 9.5417 9.6608 9.6608 9.7357 9.7357 10.1021 10.1021 11.6633 11.6633 12.0797 12.0797 12.1517 12.1517 13.0923 13.0923 14.5947 14.5947 k = 0.2188 0.1266-0.0000 ( 2920 PWs) bands (ev): -29.9093 -29.9093 -11.2047 -11.2047 -10.8316 -10.8316 -10.8282 -10.8282 -2.4456 -2.4456 -0.1144 -0.1144 5.0050 5.0050 6.9418 6.9418 7.0062 7.0062 7.5113 7.5113 7.6049 7.6049 7.6510 7.6510 8.0662 8.0662 9.0084 9.0084 9.4364 9.4364 9.5421 9.5421 9.6652 9.6652 9.7380 9.7380 10.1021 10.1021 11.6825 11.6825 12.1388 12.1388 12.2124 12.2124 13.0611 13.0611 14.5907 14.5907 k = 0.2344 0.1357-0.0000 ( 2900 PWs) bands (ev): -29.9093 -29.9093 -11.2049 -11.2049 -10.8316 -10.8316 -10.8286 -10.8286 -2.4106 -2.4106 -0.1878 -0.1878 5.0693 5.0693 6.9489 6.9489 7.0142 7.0142 7.4937 7.4937 7.5856 7.5856 7.6572 7.6572 8.0673 8.0673 8.9869 8.9869 9.4726 9.4726 9.5426 9.5426 9.6711 9.6711 9.7406 9.7406 10.1022 10.1022 11.7014 11.7014 12.2003 12.2003 12.2756 12.2756 13.0313 13.0313 14.5866 14.5867 k = 0.2500 0.1447-0.0000 ( 2900 PWs) bands (ev): -29.9093 -29.9093 -11.2051 -11.2051 -10.8316 -10.8316 -10.8290 -10.8290 -2.3735 -2.3735 -0.2626 -0.2626 5.1316 5.1316 6.9564 6.9564 7.0227 7.0227 7.4756 7.4756 7.5657 7.5657 7.6656 7.6656 8.0683 8.0683 8.9653 8.9653 9.5111 9.5111 9.5430 9.5430 9.6791 9.6791 9.7432 9.7432 10.1023 10.1023 11.7197 11.7197 12.2639 12.2639 12.3410 12.3410 13.0027 13.0027 14.5274 14.5274 k = 0.2656 0.1538-0.0000 ( 2908 PWs) bands (ev): -29.9093 -29.9093 -11.2053 -11.2053 -10.8317 -10.8317 -10.8295 -10.8295 -2.3342 -2.3342 -0.3383 -0.3383 5.1913 5.1913 6.9645 6.9645 7.0318 7.0318 7.4572 7.4572 7.5453 7.5453 7.6762 7.6762 8.0693 8.0693 8.9441 8.9441 9.5433 9.5433 9.5503 9.5503 9.6916 9.6916 9.7459 9.7459 10.1022 10.1022 11.7373 11.7373 12.3292 12.3292 12.4081 12.4081 12.9749 12.9749 14.3676 14.3676 k = 0.2812 0.1628-0.0000 ( 2916 PWs) bands (ev): -29.9093 -29.9093 -11.2055 -11.2055 -10.8317 -10.8317 -10.8299 -10.8299 -2.2928 -2.2928 -0.4148 -0.4148 5.2477 5.2477 6.9731 6.9731 7.0415 7.0415 7.4384 7.4384 7.5245 7.5245 7.6889 7.6889 8.0702 8.0702 8.9236 8.9236 9.5434 9.5434 9.5864 9.5864 9.7126 9.7126 9.7486 9.7486 10.1023 10.1023 11.7541 11.7541 12.3955 12.3955 12.4764 12.4764 12.9475 12.9475 14.1783 14.1783 k = 0.2969 0.1719-0.0000 ( 2908 PWs) bands (ev): -29.9093 -29.9093 -11.2057 -11.2057 -10.8317 -10.8317 -10.8303 -10.8303 -2.2494 -2.2494 -0.4916 -0.4916 5.3005 5.3005 6.9822 6.9822 7.0519 7.0519 7.4195 7.4195 7.5036 7.5036 7.7036 7.7036 8.0712 8.0712 8.9039 8.9039 9.5437 9.5437 9.6142 9.6142 9.7477 9.7477 9.7514 9.7514 10.1027 10.1027 11.7701 11.7701 12.4624 12.4624 12.5456 12.5456 12.9199 12.9199 13.9798 13.9798 k = 0.3125 0.1809-0.0000 ( 2908 PWs) bands (ev): -29.9093 -29.9093 -11.2058 -11.2058 -10.8317 -10.8317 -10.8307 -10.8307 -2.2040 -2.2040 -0.5686 -0.5686 5.3492 5.3492 6.9917 6.9917 7.0627 7.0627 7.4005 7.4005 7.4824 7.4824 7.7200 7.7200 8.0721 8.0721 8.8851 8.8851 9.5440 9.5440 9.6322 9.6322 9.7542 9.7542 9.7985 9.7985 10.1031 10.1031 11.7850 11.7850 12.5291 12.5291 12.6148 12.6148 12.8906 12.8906 13.7811 13.7811 k = 0.3281 0.1900-0.0000 ( 2908 PWs) bands (ev): -29.9093 -29.9093 -11.2060 -11.2060 -10.8318 -10.8318 -10.8311 -10.8311 -2.1568 -2.1568 -0.6454 -0.6454 5.3935 5.3935 7.0016 7.0016 7.0742 7.0742 7.3815 7.3815 7.4611 7.4611 7.7377 7.7377 8.0731 8.0731 8.8673 8.8673 9.5443 9.5443 9.6435 9.6435 9.7570 9.7570 9.8621 9.8621 10.1038 10.1038 11.7988 11.7988 12.5949 12.5949 12.6836 12.6836 12.8574 12.8574 13.5882 13.5882 k = 0.3438 0.1990-0.0000 ( 2896 PWs) bands (ev): -29.9093 -29.9093 -11.2061 -11.2061 -10.8318 -10.8318 -10.8314 -10.8314 -2.1078 -2.1078 -0.7219 -0.7219 5.4334 5.4334 7.0121 7.0121 7.0863 7.0863 7.3626 7.3626 7.4399 7.4399 7.7562 7.7562 8.0739 8.0739 8.8508 8.8508 9.5446 9.5446 9.6512 9.6512 9.7597 9.7597 9.9352 9.9352 10.1054 10.1054 11.8115 11.8115 12.6580 12.6580 12.7513 12.7513 12.8162 12.8162 13.4078 13.4078 k = 0.3594 0.2081-0.0000 ( 2896 PWs) bands (ev): -29.9093 -29.9093 -11.2063 -11.2063 -10.8319 -10.8319 -10.8316 -10.8316 -2.0572 -2.0572 -0.7977 -0.7977 5.4688 5.4688 7.0228 7.0228 7.0989 7.0989 7.3439 7.3439 7.4187 7.4187 7.7750 7.7750 8.0748 8.0748 8.8355 8.8355 9.5448 9.5448 9.6568 9.6568 9.7622 9.7622 10.0138 10.0138 10.1100 10.1100 11.8231 11.8231 12.7071 12.7071 12.7688 12.7688 12.8169 12.8169 13.2503 13.2503 k = 0.3750 0.2171-0.0000 ( 2892 PWs) bands (ev): -29.9092 -29.9092 -11.2064 -11.2064 -10.8322 -10.8322 -10.8316 -10.8316 -2.0052 -2.0052 -0.8725 -0.8725 5.4997 5.4997 7.0339 7.0339 7.1122 7.1122 7.3256 7.3256 7.3976 7.3976 7.7936 7.7936 8.0756 8.0756 8.8216 8.8216 9.5451 9.5451 9.6614 9.6614 9.7647 9.7647 10.0774 10.0774 10.1373 10.1373 11.8334 11.8334 12.6524 12.6524 12.7923 12.7923 12.8797 12.8797 13.1284 13.1284 k = 0.3906 0.2262-0.0000 ( 2892 PWs) bands (ev): -29.9092 -29.9092 -11.2066 -11.2066 -10.8324 -10.8324 -10.8317 -10.8317 -1.9519 -1.9519 -0.9461 -0.9461 5.5263 5.5263 7.0452 7.0452 7.1260 7.1260 7.3078 7.3078 7.3768 7.3768 7.8114 7.8114 8.0763 8.0763 8.8092 8.8092 9.5453 9.5453 9.6650 9.6650 9.7669 9.7669 10.0931 10.0931 10.2193 10.2193 11.8426 11.8426 12.5312 12.5312 12.8438 12.8438 12.9386 12.9386 13.0479 13.0479 k = 0.4062 0.2352-0.0000 ( 2884 PWs) bands (ev): -29.9092 -29.9092 -11.2066 -11.2066 -10.8326 -10.8326 -10.8317 -10.8317 -1.8977 -1.8977 -1.0180 -1.0180 5.5489 5.5489 7.0566 7.0566 7.1405 7.1405 7.2907 7.2907 7.3562 7.3562 7.8280 7.8280 8.0769 8.0769 8.7982 8.7982 9.5455 9.5455 9.6680 9.6680 9.7690 9.7690 10.0964 10.0964 10.3198 10.3198 11.8505 11.8505 12.3842 12.3842 12.8903 12.8903 12.9928 12.9928 13.0015 13.0015 k = 0.4219 0.2443-0.0000 ( 2892 PWs) bands (ev): -29.9092 -29.9092 -11.2068 -11.2068 -10.8329 -10.8329 -10.8317 -10.8317 -1.8432 -1.8432 -1.0877 -1.0877 5.5675 5.5675 7.0679 7.0679 7.1554 7.1554 7.2743 7.2743 7.3359 7.3359 7.8428 7.8428 8.0774 8.0774 8.7887 8.7887 9.5456 9.5456 9.6704 9.6704 9.7707 9.7707 10.0976 10.0976 10.4267 10.4267 11.8572 11.8572 12.2273 12.2273 12.9207 12.9207 12.9851 12.9851 13.0410 13.0410 k = 0.4375 0.2533-0.0000 ( 2892 PWs) bands (ev): -29.9092 -29.9092 -11.2068 -11.2068 -10.8331 -10.8331 -10.8317 -10.8317 -1.7893 -1.7893 -1.1540 -1.1540 5.5823 5.5823 7.0788 7.0788 7.1709 7.1709 7.2593 7.2593 7.3160 7.3160 7.8554 7.8554 8.0779 8.0779 8.7810 8.7810 9.5457 9.5457 9.6724 9.6724 9.7722 9.7722 10.0982 10.0982 10.5362 10.5362 11.8627 11.8627 12.0716 12.0716 12.9230 12.9230 13.0014 13.0014 13.0824 13.0824 k = 0.4531 0.2623-0.0000 ( 2896 PWs) bands (ev): -29.9092 -29.9092 -11.2069 -11.2069 -10.8332 -10.8332 -10.8317 -10.8317 -1.7376 -1.7376 -1.2155 -1.2155 5.5937 5.5937 7.0888 7.0888 7.1869 7.1869 7.2461 7.2461 7.2965 7.2965 7.8656 7.8656 8.0782 8.0782 8.7750 8.7750 9.5457 9.5457 9.6739 9.6739 9.7733 9.7733 10.0986 10.0986 10.6435 10.6435 11.8669 11.8669 11.9259 11.9259 12.9152 12.9152 13.0273 13.0273 13.1158 13.1158 k = 0.4688 0.2714-0.0000 ( 2908 PWs) bands (ev): -29.9092 -29.9092 -11.2070 -11.2070 -10.8334 -10.8334 -10.8318 -10.8318 -1.6914 -1.6914 -1.2686 -1.2686 5.6016 5.6016 7.0972 7.0972 7.2032 7.2032 7.2352 7.2352 7.2775 7.2775 7.8730 7.8730 8.0785 8.0785 8.7706 8.7706 9.5458 9.5458 9.6750 9.6750 9.7742 9.7742 10.0987 10.0987 10.7404 10.7404 11.8005 11.8005 11.8699 11.8699 12.9085 12.9085 13.0485 13.0485 13.1402 13.1402 k = 0.4844 0.2804-0.0000 ( 2912 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8318 -10.8318 -1.6569 -1.6569 -1.3073 -1.3073 5.6063 5.6063 7.1030 7.1030 7.2195 7.2195 7.2281 7.2281 7.2597 7.2597 7.8776 7.8776 8.0786 8.0786 8.7678 8.7678 9.5458 9.5458 9.6756 9.6756 9.7747 9.7747 10.0988 10.0988 10.8125 10.8125 11.7109 11.7109 11.8717 11.8717 12.9044 12.9044 13.0620 13.0620 13.1553 13.1553 k = 0.5000 0.2895-0.0000 ( 2908 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8318 -10.8318 -1.6436 -1.6436 -1.3221 -1.3221 5.6079 5.6079 7.1051 7.1051 7.2255 7.2255 7.2306 7.2306 7.2481 7.2481 7.8793 7.8793 8.0786 8.0786 8.7669 8.7669 9.5458 9.5458 9.6759 9.6759 9.7749 9.7749 10.0988 10.0988 10.8402 10.8402 11.6775 11.6775 11.8723 11.8723 12.9031 12.9031 13.0666 13.0666 13.1604 13.1604 k = 0.5000 0.2895-0.0000 ( 2908 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8318 -10.8318 -1.6436 -1.6436 -1.3221 -1.3221 5.6079 5.6079 7.1051 7.1051 7.2255 7.2255 7.2306 7.2306 7.2481 7.2481 7.8793 7.8793 8.0786 8.0786 8.7669 8.7669 9.5458 9.5458 9.6759 9.6759 9.7749 9.7749 10.0988 10.0988 10.8402 10.8402 11.6775 11.6775 11.8723 11.8723 12.9031 12.9031 13.0666 13.0666 13.1604 13.1604 k = 0.4937 0.3004 0.0126 ( 2898 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8318 -10.8318 -1.6431 -1.6431 -1.3211 -1.3211 5.6076 5.6076 7.1028 7.1028 7.2248 7.2248 7.2282 7.2282 7.2475 7.2475 7.8806 7.8806 8.0792 8.0792 8.7683 8.7683 9.5452 9.5452 9.6734 9.6734 9.7723 9.7723 10.1003 10.1003 10.8423 10.8423 11.6759 11.6759 11.8765 11.8765 12.9074 12.9074 13.0654 13.0654 13.1589 13.1589 k = 0.4874 0.3113 0.0252 ( 2902 PWs) bands (ev): -29.9092 -29.9092 -11.2072 -11.2072 -10.8335 -10.8335 -10.8320 -10.8320 -1.6418 -1.6418 -1.3184 -1.3184 5.6066 5.6066 7.0955 7.0955 7.2212 7.2212 7.2223 7.2223 7.2461 7.2461 7.8843 7.8843 8.0805 8.0805 8.7723 8.7723 9.5427 9.5427 9.6655 9.6655 9.7644 9.7644 10.1047 10.1047 10.8482 10.8482 11.6713 11.6713 11.8887 11.8887 12.9205 12.9205 13.0615 13.0615 13.1549 13.1549 k = 0.4811 0.3222 0.0378 ( 2902 PWs) bands (ev): -29.9092 -29.9092 -11.2073 -11.2073 -10.8336 -10.8336 -10.8322 -10.8322 -1.6396 -1.6396 -1.3138 -1.3138 5.6049 5.6049 7.0828 7.0828 7.2109 7.2109 7.2171 7.2171 7.2449 7.2449 7.8904 7.8904 8.0828 8.0828 8.7787 8.7787 9.5383 9.5383 9.6525 9.6525 9.7526 9.7526 10.1117 10.1117 10.8575 10.8575 11.6636 11.6636 11.9085 11.9085 12.9421 12.9421 13.0550 13.0550 13.1491 13.1491 k = 0.4748 0.3331 0.0503 ( 2892 PWs) bands (ev): -29.9091 -29.9091 -11.2075 -11.2075 -10.8339 -10.8339 -10.8323 -10.8323 -1.6366 -1.6366 -1.3074 -1.3074 5.6024 5.6024 7.0635 7.0635 7.1988 7.1988 7.2086 7.2086 7.2447 7.2447 7.8987 7.8987 8.0860 8.0860 8.7873 8.7873 9.5322 9.5322 9.6345 9.6345 9.7381 9.7381 10.1213 10.1213 10.8692 10.8692 11.6525 11.6525 11.9351 11.9351 12.9709 12.9709 13.0468 13.0468 13.1430 13.1430 k = 0.4685 0.3439 0.0629 ( 2888 PWs) bands (ev): -29.9091 -29.9091 -11.2077 -11.2077 -10.8345 -10.8345 -10.8323 -10.8323 -1.6327 -1.6327 -1.2992 -1.2992 5.5987 5.5987 7.0373 7.0373 7.1862 7.1862 7.1969 7.1969 7.2455 7.2455 7.9090 7.9090 8.0902 8.0902 8.7976 8.7976 9.5238 9.5238 9.6122 9.6122 9.7221 9.7221 10.1328 10.1328 10.8824 10.8824 11.6381 11.6381 11.9672 11.9672 12.9976 12.9976 13.0463 13.0463 13.1373 13.1373 k = 0.4622 0.3548 0.0755 ( 2892 PWs) bands (ev): -29.9090 -29.9090 -11.2081 -11.2081 -10.8353 -10.8353 -10.8321 -10.8321 -1.6281 -1.6281 -1.2892 -1.2892 5.5937 5.5937 7.0043 7.0043 7.1740 7.1740 7.1823 7.1823 7.2473 7.2473 7.9210 7.9210 8.0952 8.0952 8.8091 8.8091 9.5124 9.5124 9.5869 9.5869 9.7051 9.7051 10.1461 10.1461 10.8962 10.8962 11.6200 11.6200 12.0036 12.0036 12.9963 12.9963 13.0798 13.0798 13.1329 13.1329 k = 0.4559 0.3657 0.0881 ( 2888 PWs) bands (ev): -29.9089 -29.9089 -11.2084 -11.2084 -10.8363 -10.8363 -10.8319 -10.8319 -1.6227 -1.6227 -1.2774 -1.2774 5.5870 5.5870 6.9655 6.9655 7.1613 7.1613 7.1664 7.1664 7.2498 7.2498 7.9347 7.9347 8.1011 8.1011 8.8215 8.8215 9.4972 9.4972 9.5610 9.5610 9.6877 9.6877 10.1610 10.1610 10.9100 10.9100 11.5982 11.5982 12.0431 12.0431 12.9795 12.9795 13.1253 13.1253 13.1402 13.1402 k = 0.4496 0.3766 0.1007 ( 2888 PWs) bands (ev): -29.9089 -29.9089 -11.2089 -11.2089 -10.8375 -10.8375 -10.8316 -10.8316 -1.6166 -1.6166 -1.2638 -1.2638 5.5782 5.5782 6.9225 6.9225 7.1441 7.1441 7.1534 7.1534 7.2528 7.2528 7.9496 7.9496 8.1080 8.1080 8.8342 8.8342 9.4767 9.4767 9.5371 9.5371 9.6699 9.6699 10.1769 10.1769 10.9230 10.9230 11.5725 11.5725 12.0847 12.0847 12.9595 12.9595 13.1246 13.1246 13.2060 13.2060 k = 0.4432 0.3875 0.1133 ( 2888 PWs) bands (ev): -29.9088 -29.9088 -11.2094 -11.2094 -10.8388 -10.8388 -10.8313 -10.8313 -1.6099 -1.6099 -1.2485 -1.2485 5.5669 5.5669 6.8766 6.8766 7.1233 7.1233 7.1423 7.1423 7.2563 7.2563 7.9656 7.9656 8.1158 8.1158 8.8468 8.8468 9.4507 9.4507 9.5163 9.5163 9.6515 9.6515 10.1939 10.1939 10.9348 10.9348 11.5427 11.5427 12.1273 12.1273 12.9393 12.9393 13.1219 13.1219 13.2833 13.2833 k = 0.4369 0.3984 0.1259 ( 2888 PWs) bands (ev): -29.9087 -29.9087 -11.2100 -11.2100 -10.8402 -10.8402 -10.8309 -10.8309 -1.6027 -1.6027 -1.2315 -1.2315 5.5526 5.5526 6.8295 6.8295 7.1006 7.1006 7.1315 7.1315 7.2602 7.2602 7.9825 7.9825 8.1246 8.1246 8.8590 8.8590 9.4209 9.4209 9.4980 9.4980 9.6327 9.6327 10.2115 10.2115 10.9450 10.9450 11.5089 11.5089 12.1704 12.1704 12.9205 12.9205 13.1189 13.1189 13.3688 13.3688 k = 0.4306 0.4093 0.1384 ( 2892 PWs) bands (ev): -29.9086 -29.9086 -11.2106 -11.2106 -10.8417 -10.8417 -10.8306 -10.8306 -1.5949 -1.5949 -1.2128 -1.2128 5.5347 5.5347 6.7826 6.7826 7.0765 7.0765 7.1206 7.1206 7.2644 7.2644 8.0001 8.0001 8.1343 8.1343 8.8703 8.8703 9.3894 9.3894 9.4807 9.4807 9.6132 9.6132 10.2297 10.2297 10.9532 10.9532 11.4711 11.4711 12.2134 12.2134 12.9041 12.9041 13.1156 13.1156 13.4610 13.4610 k = 0.4243 0.4202 0.1510 ( 2890 PWs) bands (ev): -29.9085 -29.9085 -11.2112 -11.2112 -10.8434 -10.8434 -10.8301 -10.8301 -1.5868 -1.5868 -1.1924 -1.1924 5.5129 5.5129 6.7372 6.7372 7.0512 7.0512 7.1095 7.1095 7.2691 7.2691 8.0183 8.0183 8.1450 8.1450 8.8804 8.8804 9.3578 9.3578 9.4634 9.4634 9.5932 9.5932 10.2481 10.2481 10.9591 10.9591 11.4295 11.4295 12.2562 12.2562 12.8909 12.8909 13.1116 13.1116 13.5582 13.5582 k = 0.4180 0.4311 0.1636 ( 2890 PWs) bands (ev): -29.9083 -29.9083 -11.2119 -11.2119 -10.8451 -10.8451 -10.8297 -10.8297 -1.5784 -1.5784 -1.1703 -1.1703 5.4868 5.4868 6.6945 6.6945 7.0249 7.0249 7.0983 7.0983 7.2742 7.2742 8.0368 8.0368 8.1566 8.1566 8.8890 8.8890 9.3269 9.3269 9.4458 9.4458 9.5725 9.5725 10.2668 10.2668 10.9623 10.9623 11.3844 11.3844 12.2987 12.2987 12.8815 12.8815 13.1067 13.1067 13.6581 13.6581 k = 0.4117 0.4420 0.1762 ( 2888 PWs) bands (ev): -29.9082 -29.9082 -11.2127 -11.2127 -10.8469 -10.8469 -10.8292 -10.8292 -1.5698 -1.5698 -1.1467 -1.1467 5.4560 5.4560 6.6554 6.6554 6.9977 6.9977 7.0867 7.0867 7.2796 7.2796 8.0556 8.0556 8.1691 8.1691 8.8959 8.8959 9.2975 9.2975 9.4276 9.4276 9.5512 9.5512 10.2855 10.2855 10.9626 10.9626 11.3361 11.3361 12.3411 12.3411 12.8760 12.8760 13.1007 13.1007 13.7511 13.7511 k = 0.4054 0.4529 0.1888 ( 2882 PWs) bands (ev): -29.9081 -29.9081 -11.2135 -11.2135 -10.8487 -10.8487 -10.8287 -10.8287 -1.5610 -1.5610 -1.1215 -1.1215 5.4204 5.4204 6.6206 6.6206 6.9698 6.9698 7.0750 7.0750 7.2852 7.2852 8.0746 8.0746 8.1825 8.1825 8.9008 8.9008 9.2697 9.2697 9.4086 9.4086 9.5293 9.5293 10.3042 10.3042 10.9597 10.9597 11.2850 11.2850 12.3833 12.3833 12.8747 12.8747 13.0931 13.0931 13.7529 13.7529 k = 0.3991 0.4638 0.2014 ( 2890 PWs) bands (ev): -29.9080 -29.9080 -11.2144 -11.2144 -10.8506 -10.8506 -10.8282 -10.8282 -1.5523 -1.5523 -1.0947 -1.0947 5.3802 5.3802 6.5905 6.5905 6.9412 6.9412 7.0630 7.0630 7.2911 7.2911 8.0935 8.0935 8.1969 8.1969 8.9035 8.9035 9.2438 9.2438 9.3890 9.3890 9.5067 9.5067 10.3227 10.3227 10.9533 10.9533 11.2316 11.2316 12.4257 12.4257 12.8775 12.8775 13.0839 13.0839 13.6953 13.6953 k = 0.3928 0.4746 0.2140 ( 2888 PWs) bands (ev): -29.9078 -29.9078 -11.2152 -11.2152 -10.8525 -10.8525 -10.8277 -10.8277 -1.5438 -1.5438 -1.0665 -1.0665 5.3356 5.3356 6.5653 6.5653 6.9121 6.9121 7.0509 7.0509 7.2973 7.2973 8.1124 8.1124 8.2122 8.2122 8.9041 8.9041 9.2199 9.2199 9.3687 9.3687 9.4836 9.4836 10.3410 10.3410 10.9432 10.9432 11.1763 11.1763 12.4685 12.4685 12.8842 12.8842 13.0726 13.0726 13.6404 13.6404 k = 0.3865 0.4855 0.2265 ( 2888 PWs) bands (ev): -29.9077 -29.9077 -11.2162 -11.2162 -10.8544 -10.8544 -10.8271 -10.8271 -1.5355 -1.5355 -1.0369 -1.0369 5.2872 5.2872 6.5446 6.5446 6.8827 6.8827 7.0388 7.0388 7.3037 7.3037 8.1310 8.1310 8.2284 8.2284 8.9025 8.9025 9.1979 9.1979 9.3480 9.3480 9.4598 9.4598 10.3589 10.3589 10.9292 10.9292 11.1196 11.1196 12.5119 12.5119 12.8945 12.8945 13.0594 13.0594 13.5930 13.5930 k = 0.3802 0.4964 0.2391 ( 2886 PWs) bands (ev): -29.9075 -29.9075 -11.2171 -11.2171 -10.8563 -10.8563 -10.8266 -10.8266 -1.5276 -1.5276 -1.0059 -1.0059 5.2357 5.2357 6.5284 6.5284 6.8531 6.8531 7.0265 7.0265 7.3103 7.3103 8.1494 8.1494 8.2456 8.2456 8.8988 8.8988 9.1776 9.1776 9.3268 9.3268 9.4355 9.4355 10.3766 10.3766 10.9113 10.9113 11.0622 11.0622 12.5560 12.5560 12.9078 12.9078 13.0442 13.0442 13.5538 13.5538 k = 0.3739 0.5073 0.2517 ( 2888 PWs) bands (ev): -29.9074 -29.9074 -11.2181 -11.2181 -10.8583 -10.8583 -10.8260 -10.8260 -1.5202 -1.5202 -0.9735 -0.9735 5.1817 5.1817 6.5159 6.5159 6.8233 6.8233 7.0143 7.0143 7.3171 7.3171 8.1674 8.1674 8.2636 8.2636 8.8933 8.8933 9.1589 9.1589 9.3051 9.3051 9.4105 9.4105 10.3937 10.3937 10.8893 10.8893 11.0046 11.0046 12.6012 12.6012 12.9223 12.9223 13.0284 13.0284 13.5233 13.5233 k = 0.3676 0.5182 0.2643 ( 2886 PWs) bands (ev): -29.9073 -29.9073 -11.2191 -11.2191 -10.8601 -10.8601 -10.8254 -10.8254 -1.5135 -1.5135 -0.9400 -0.9400 5.1261 5.1261 6.5067 6.5067 6.7937 6.7937 7.0021 7.0021 7.3241 7.3241 8.1849 8.1849 8.2826 8.2826 8.8862 8.8862 9.1415 9.1415 9.2836 9.2836 9.3850 9.3850 10.4105 10.4105 10.8629 10.8629 10.9477 10.9477 12.6476 12.6476 12.9335 12.9335 13.0162 13.0162 13.5011 13.5011 k = 0.3613 0.5291 0.2769 ( 2886 PWs) bands (ev): -29.9071 -29.9071 -11.2200 -11.2200 -10.8620 -10.8620 -10.8249 -10.8249 -1.5075 -1.5075 -0.9052 -0.9052 5.0697 5.0697 6.5001 6.5001 6.7641 6.7641 6.9900 6.9900 7.3312 7.3312 8.2018 8.2018 8.3023 8.3023 8.8778 8.8778 9.1249 9.1249 9.2622 9.2622 9.3590 9.3590 10.4267 10.4267 10.8310 10.8310 10.8933 10.8933 12.6951 12.6951 12.9312 12.9312 13.0175 13.0175 13.4871 13.4871 k = 0.3550 0.5400 0.2895 ( 2890 PWs) bands (ev): -29.9070 -29.9070 -11.2211 -11.2211 -10.8638 -10.8638 -10.8243 -10.8243 -1.5026 -1.5026 -0.8693 -0.8693 5.0133 5.0133 6.4954 6.4954 6.7350 6.7350 6.9780 6.9780 7.3385 7.3385 8.2180 8.2180 8.3229 8.3229 8.8685 8.8685 9.1088 9.1088 9.2409 9.2409 9.3325 9.3325 10.4423 10.4423 10.7914 10.7914 10.8443 10.8443 12.7434 12.7434 12.9122 12.9122 13.0358 13.0358 13.4807 13.4807 k = 0.3487 0.5509 0.3021 ( 2888 PWs) bands (ev): -29.9068 -29.9068 -11.2220 -11.2220 -10.8655 -10.8655 -10.8237 -10.8237 -1.4987 -1.4987 -0.8323 -0.8323 4.9575 4.9575 6.4920 6.4920 6.7063 6.7063 6.9663 6.9663 7.3459 7.3459 8.2334 8.2334 8.3442 8.3442 8.8587 8.8587 9.0931 9.0931 9.2202 9.2202 9.3056 9.3056 10.4574 10.4574 10.7433 10.7433 10.8023 10.8023 12.7896 12.7896 12.8864 12.8864 13.0643 13.0643 13.4814 13.4814 k = 0.3423 0.5618 0.3146 ( 2884 PWs) bands (ev): -29.9067 -29.9067 -11.2230 -11.2230 -10.8672 -10.8672 -10.8232 -10.8232 -1.4960 -1.4960 -0.7944 -0.7944 4.9030 4.9030 6.4891 6.4891 6.6785 6.6785 6.9549 6.9549 7.3534 7.3534 8.2478 8.2478 8.3663 8.3663 8.8488 8.8488 9.0774 9.0774 9.2000 9.2000 9.2784 9.2784 10.4719 10.4719 10.6901 10.6901 10.7648 10.7648 12.8111 12.8111 12.8804 12.8804 13.0984 13.0984 13.4885 13.4885 k = 0.3360 0.5727 0.3272 ( 2878 PWs) bands (ev): -29.9066 -29.9066 -11.2240 -11.2240 -10.8688 -10.8688 -10.8226 -10.8226 -1.4947 -1.4947 -0.7555 -0.7555 4.8504 4.8504 6.4862 6.4862 6.6517 6.6517 6.9437 6.9437 7.3610 7.3610 8.2611 8.2611 8.3890 8.3890 8.8390 8.8390 9.0617 9.0617 9.1808 9.1808 9.2509 9.2509 10.4854 10.4854 10.6354 10.6354 10.7293 10.7293 12.7824 12.7824 12.9217 12.9217 13.1365 13.1365 13.5013 13.5013 k = 0.3297 0.5836 0.3398 ( 2874 PWs) bands (ev): -29.9065 -29.9065 -11.2249 -11.2249 -10.8703 -10.8703 -10.8221 -10.8221 -1.4949 -1.4949 -0.7159 -0.7159 4.8002 4.8002 6.4826 6.4826 6.6261 6.6261 6.9329 6.9329 7.3688 7.3688 8.2734 8.2734 8.4125 8.4125 8.8294 8.8294 9.0460 9.0460 9.1625 9.1625 9.2232 9.2232 10.4965 10.4965 10.5817 10.5817 10.6949 10.6949 12.7374 12.7374 12.9770 12.9770 13.1779 13.1779 13.5191 13.5191 k = 0.3234 0.5945 0.3524 ( 2888 PWs) bands (ev): -29.9064 -29.9064 -11.2258 -11.2258 -10.8718 -10.8718 -10.8216 -10.8216 -1.4967 -1.4967 -0.6755 -0.6755 4.7528 4.7528 6.4776 6.4776 6.6020 6.6020 6.9224 6.9224 7.3765 7.3765 8.2841 8.2841 8.4365 8.4365 8.8204 8.8204 9.0303 9.0303 9.1449 9.1449 9.1955 9.1955 10.4966 10.4966 10.5380 10.5380 10.6619 10.6619 12.6863 12.6863 13.0366 13.0366 13.2221 13.2221 13.5411 13.5412 k = 0.3171 0.6053 0.3650 ( 2888 PWs) bands (ev): -29.9062 -29.9062 -11.2267 -11.2267 -10.8731 -10.8731 -10.8211 -10.8211 -1.5001 -1.5001 -0.6345 -0.6345 4.7086 4.7086 6.4706 6.4706 6.5800 6.5800 6.9124 6.9124 7.3844 7.3844 8.2934 8.2934 8.4611 8.4611 8.8123 8.8123 9.0150 9.0150 9.1279 9.1279 9.1683 9.1683 10.4589 10.4589 10.5309 10.5309 10.6316 10.6316 12.6310 12.6310 13.0991 13.0991 13.2686 13.2686 13.5668 13.5668 k = 0.3108 0.6162 0.3776 ( 2888 PWs) bands (ev): -29.9061 -29.9061 -11.2275 -11.2275 -10.8743 -10.8743 -10.8207 -10.8207 -1.5054 -1.5054 -0.5930 -0.5930 4.6679 4.6679 6.4614 6.4614 6.5599 6.5599 6.9028 6.9028 7.3923 7.3923 8.3010 8.3010 8.4862 8.4862 8.8052 8.8052 9.0003 9.0003 9.1106 9.1106 9.1428 9.1428 10.4073 10.4073 10.5334 10.5334 10.6072 10.6072 12.5723 12.5723 13.1639 13.1639 13.3166 13.3166 13.5954 13.5954 k = 0.3045 0.6271 0.3902 ( 2896 PWs) bands (ev): -29.9061 -29.9061 -11.2283 -11.2283 -10.8754 -10.8754 -10.8203 -10.8203 -1.5126 -1.5126 -0.5511 -0.5511 4.6310 4.6310 6.4497 6.4497 6.5420 6.5420 6.8937 6.8937 7.4003 7.4003 8.3066 8.3066 8.5117 8.5117 8.7991 8.7991 8.9864 8.9864 9.0910 9.0910 9.1209 9.1209 10.3546 10.3546 10.5265 10.5265 10.5953 10.5953 12.5108 12.5108 13.2308 13.2308 13.3652 13.3652 13.6263 13.6263 k = 0.2982 0.6380 0.4027 ( 2890 PWs) bands (ev): -29.9060 -29.9060 -11.2289 -11.2289 -10.8764 -10.8764 -10.8199 -10.8199 -1.5216 -1.5216 -0.5088 -0.5088 4.5980 4.5980 6.4359 6.4359 6.5256 6.5256 6.8851 6.8851 7.4084 7.4084 8.3104 8.3104 8.5376 8.5376 8.7944 8.7944 8.9738 8.9738 9.0675 9.0675 9.1044 9.1044 10.3025 10.3025 10.5078 10.5078 10.5973 10.5973 12.4469 12.4469 13.2994 13.2994 13.4120 13.4120 13.6590 13.6595 k = 0.2919 0.6489 0.4153 ( 2890 PWs) bands (ev): -29.9059 -29.9059 -11.2295 -11.2295 -10.8773 -10.8773 -10.8195 -10.8195 -1.5327 -1.5327 -0.4663 -0.4663 4.5693 4.5693 6.4208 6.4208 6.5101 6.5101 6.8770 6.8770 7.4165 7.4165 8.3120 8.3120 8.5638 8.5638 8.7910 8.7910 8.9627 8.9627 9.0414 9.0414 9.0923 9.0923 10.2512 10.2512 10.4839 10.4839 10.6065 10.6065 12.3810 12.3810 13.3692 13.3692 13.4526 13.4526 13.6593 13.6593 k = 0.2919 0.6489 0.4153 ( 2890 PWs) bands (ev): -29.9059 -29.9059 -11.2295 -11.2295 -10.8773 -10.8773 -10.8195 -10.8195 -1.5327 -1.5327 -0.4663 -0.4663 4.5693 4.5693 6.4208 6.4208 6.5101 6.5101 6.8770 6.8770 7.4165 7.4165 8.3120 8.3120 8.5638 8.5638 8.7910 8.7910 8.9627 8.9627 9.0414 9.0414 9.0923 9.0923 10.2512 10.2512 10.4839 10.4839 10.6065 10.6065 12.3810 12.3810 13.3692 13.3692 13.4526 13.4526 13.6593 13.6593 k = 0.2757 0.6449 0.4200 ( 2890 PWs) bands (ev): -29.9059 -29.9059 -11.2297 -11.2297 -10.8775 -10.8775 -10.8194 -10.8194 -1.5381 -1.5381 -0.4496 -0.4496 4.5615 4.5615 6.3826 6.3826 6.5348 6.5348 6.8741 6.8741 7.4197 7.4197 8.3107 8.3107 8.5736 8.5736 8.7905 8.7905 8.9592 8.9592 9.0314 9.0314 9.0889 9.0889 10.2179 10.2179 10.4915 10.4915 10.6114 10.6114 12.3555 12.3555 13.3435 13.3435 13.4753 13.4753 13.6461 13.6461 k = 0.2595 0.6409 0.4246 ( 2878 PWs) bands (ev): -29.9058 -29.9058 -11.2299 -11.2299 -10.8778 -10.8778 -10.8192 -10.8192 -1.5450 -1.5450 -0.4312 -0.4312 4.5580 4.5580 6.3182 6.3182 6.5819 6.5819 6.8710 6.8710 7.4234 7.4234 8.3067 8.3067 8.5838 8.5838 8.7910 8.7910 8.9563 8.9563 9.0214 9.0214 9.0866 9.0866 10.1661 10.1661 10.5220 10.5220 10.6178 10.6178 12.3290 12.3290 13.2626 13.2626 13.5032 13.5032 13.6349 13.6349 k = 0.2433 0.6369 0.4293 ( 2880 PWs) bands (ev): -29.9058 -29.9058 -11.2301 -11.2301 -10.8780 -10.8780 -10.8190 -10.8190 -1.5530 -1.5530 -0.4116 -0.4116 4.5588 4.5588 6.2472 6.2472 6.6318 6.6318 6.8680 6.8680 7.4273 7.4273 8.3001 8.3001 8.5941 8.5941 8.7921 8.7921 8.9537 8.9537 9.0114 9.0114 9.0853 9.0853 10.1083 10.1083 10.5618 10.5618 10.6269 10.6269 12.3020 12.3020 13.1663 13.1663 13.5287 13.5287 13.6284 13.6284 k = 0.2270 0.6328 0.4339 ( 2878 PWs) bands (ev): -29.9058 -29.9058 -11.2302 -11.2302 -10.8783 -10.8783 -10.8189 -10.8189 -1.5618 -1.5618 -0.3913 -0.3913 4.5640 4.5640 6.1728 6.1728 6.6814 6.6814 6.8649 6.8649 7.4314 7.4314 8.2910 8.2910 8.6047 8.6047 8.7939 8.7939 8.9513 8.9513 9.0016 9.0016 9.0853 9.0853 10.0500 10.0500 10.5984 10.5984 10.6454 10.6454 12.2750 12.2750 13.0655 13.0655 13.5501 13.5501 13.6276 13.6276 k = 0.2108 0.6288 0.4386 ( 2881 PWs) bands (ev): -29.9058 -29.9058 -11.2304 -11.2304 -10.8785 -10.8785 -10.8188 -10.8188 -1.5711 -1.5711 -0.3708 -0.3708 4.5737 4.5737 6.0961 6.0961 6.7299 6.7299 6.8619 6.8619 7.4356 7.4356 8.2798 8.2798 8.6154 8.6154 8.7960 8.7960 8.9488 8.9488 8.9922 8.9922 9.0866 9.0866 9.9935 9.9935 10.6177 10.6177 10.6848 10.6848 12.2485 12.2485 12.9638 12.9638 13.5633 13.5633 13.6362 13.6362 k = 0.1946 0.6248 0.4432 ( 2884 PWs) bands (ev): -29.9058 -29.9058 -11.2305 -11.2305 -10.8787 -10.8787 -10.8186 -10.8186 -1.5806 -1.5806 -0.3503 -0.3503 4.5879 4.5879 6.0178 6.0178 6.7767 6.7767 6.8592 6.8592 7.4398 7.4398 8.2667 8.2667 8.6264 8.6264 8.7983 8.7983 8.9459 8.9459 8.9833 8.9833 9.0895 9.0895 9.9396 9.9396 10.6269 10.6269 10.7367 10.7367 12.2229 12.2229 12.8627 12.8627 13.5672 13.5672 13.6553 13.6553 k = 0.1784 0.6208 0.4478 ( 2888 PWs) bands (ev): -29.9058 -29.9058 -11.2307 -11.2307 -10.8789 -10.8789 -10.8185 -10.8185 -1.5900 -1.5900 -0.3304 -0.3304 4.6066 4.6066 5.9382 5.9382 6.8208 6.8208 6.8576 6.8576 7.4440 7.4440 8.2523 8.2523 8.6375 8.6375 8.8004 8.8004 8.9422 8.9422 8.9753 8.9753 9.0939 9.0939 9.8889 9.8889 10.6333 10.6333 10.7931 10.7931 12.1985 12.1985 12.7631 12.7631 13.5654 13.5654 13.6810 13.6810 k = 0.1622 0.6167 0.4525 ( 2890 PWs) bands (ev): -29.9057 -29.9057 -11.2308 -11.2308 -10.8791 -10.8791 -10.8184 -10.8184 -1.5993 -1.5993 -0.3112 -0.3112 4.6299 4.6299 5.8580 5.8580 6.8481 6.8481 6.8706 6.8706 7.4482 7.4482 8.2368 8.2368 8.6488 8.6488 8.8023 8.8023 8.9377 8.9377 8.9682 8.9682 9.0998 9.0998 9.8415 9.8415 10.6387 10.6387 10.8519 10.8519 12.1755 12.1755 12.6655 12.6655 13.5615 13.5615 13.7094 13.7094 k = 0.1460 0.6127 0.4571 ( 2894 PWs) bands (ev): -29.9057 -29.9057 -11.2309 -11.2309 -10.8793 -10.8793 -10.8183 -10.8183 -1.6081 -1.6081 -0.2931 -0.2931 4.6576 4.6576 5.7774 5.7774 6.8484 6.8484 6.9085 6.9085 7.4521 7.4521 8.2208 8.2208 8.6601 8.6601 8.8037 8.8037 8.9324 8.9324 8.9622 8.9622 9.1071 9.1071 9.7975 9.7975 10.6433 10.6433 10.9121 10.9121 12.1543 12.1543 12.5703 12.5703 13.5568 13.5568 13.7388 13.7388 k = 0.1297 0.6087 0.4618 ( 2887 PWs) bands (ev): -29.9057 -29.9057 -11.2310 -11.2310 -10.8794 -10.8794 -10.8182 -10.8182 -1.6163 -1.6163 -0.2763 -0.2763 4.6899 4.6899 5.6969 5.6969 6.8466 6.8466 6.9460 6.9460 7.4559 7.4559 8.2045 8.2045 8.6715 8.6715 8.8045 8.8045 8.9267 8.9267 8.9572 8.9572 9.1156 9.1156 9.7571 9.7571 10.6475 10.6475 10.9732 10.9732 12.1349 12.1349 12.4782 12.4782 13.5521 13.5521 13.7680 13.7680 k = 0.1135 0.6047 0.4664 ( 2891 PWs) bands (ev): -29.9057 -29.9057 -11.2311 -11.2311 -10.8795 -10.8795 -10.8181 -10.8181 -1.6238 -1.6238 -0.2610 -0.2610 4.7265 4.7265 5.6169 5.6169 6.8446 6.8446 6.9809 6.9809 7.4593 7.4593 8.1885 8.1885 8.6829 8.6829 8.8042 8.8042 8.9210 8.9210 8.9526 8.9526 9.1249 9.1249 9.7203 9.7203 10.6512 10.6512 11.0346 11.0346 12.1175 12.1175 12.3895 12.3895 13.5476 13.5476 13.7962 13.7962 k = 0.0973 0.6007 0.4711 ( 2890 PWs) bands (ev): -29.9057 -29.9057 -11.2311 -11.2311 -10.8796 -10.8796 -10.8180 -10.8180 -1.6305 -1.6305 -0.2474 -0.2474 4.7674 4.7674 5.5379 5.5379 6.8427 6.8427 7.0123 7.0123 7.4624 7.4624 8.1733 8.1733 8.6942 8.6942 8.8029 8.8029 8.9159 8.9159 8.9486 8.9486 9.1346 9.1346 9.6874 9.6874 10.6543 10.6543 11.0954 11.0954 12.1022 12.1022 12.3051 12.3051 13.5436 13.5436 13.8226 13.8226 k = 0.0811 0.5966 0.4757 ( 2896 PWs) bands (ev): -29.9057 -29.9057 -11.2312 -11.2312 -10.8797 -10.8797 -10.8180 -10.8180 -1.6364 -1.6364 -0.2357 -0.2357 4.8124 4.8124 5.4601 5.4601 6.8411 6.8411 7.0399 7.0399 7.4650 7.4650 8.1593 8.1593 8.7053 8.7053 8.8002 8.8002 8.9116 8.9116 8.9448 8.9448 9.1443 9.1443 9.6584 9.6584 10.6569 10.6569 11.1545 11.1545 12.0890 12.0890 12.2260 12.2260 13.5401 13.5401 13.8466 13.8466 k = 0.0649 0.5926 0.4804 ( 2900 PWs) bands (ev): -29.9057 -29.9057 -11.2313 -11.2313 -10.8798 -10.8798 -10.8179 -10.8179 -1.6412 -1.6412 -0.2259 -0.2259 4.8614 4.8614 5.3840 5.3840 6.8397 6.8397 7.0633 7.0633 7.4673 7.4673 8.1470 8.1470 8.7161 8.7161 8.7963 8.7963 8.9083 8.9083 8.9415 8.9415 9.1534 9.1534 9.6339 9.6339 10.6591 10.6591 11.2105 11.2105 12.0780 12.0780 12.1540 12.1540 13.5372 13.5372 13.8674 13.8674 k = 0.0487 0.5886 0.4850 ( 2902 PWs) bands (ev): -29.9057 -29.9057 -11.2313 -11.2313 -10.8798 -10.8798 -10.8179 -10.8179 -1.6451 -1.6451 -0.2183 -0.2183 4.9141 4.9141 5.3101 5.3101 6.8386 6.8386 7.0819 7.0819 7.4691 7.4691 8.1368 8.1368 8.7263 8.7263 8.7913 8.7913 8.9061 8.9061 8.9386 8.9386 9.1614 9.1614 9.6141 9.6141 10.6608 10.6608 11.2608 11.2608 12.0684 12.0684 12.0922 12.0922 13.5349 13.5349 13.8844 13.8844 k = 0.0324 0.5846 0.4897 ( 2906 PWs) bands (ev): -29.9057 -29.9057 -11.2314 -11.2314 -10.8799 -10.8799 -10.8179 -10.8179 -1.6478 -1.6478 -0.2127 -0.2127 4.9699 4.9699 5.2391 5.2391 6.8378 6.8378 7.0956 7.0956 7.4704 7.4704 8.1292 8.1292 8.7354 8.7354 8.7858 8.7858 8.9048 8.9048 8.9364 8.9364 9.1676 9.1676 9.5994 9.5994 10.6620 10.6620 11.3021 11.3021 12.0386 12.0386 12.0656 12.0656 13.5332 13.5332 13.8970 13.8970 k = 0.0162 0.5806 0.4943 ( 2901 PWs) bands (ev): -29.9057 -29.9057 -11.2314 -11.2314 -10.8799 -10.8799 -10.8178 -10.8178 -1.6495 -1.6495 -0.2094 -0.2094 5.0269 5.0269 5.1729 5.1729 6.8373 6.8373 7.1039 7.1039 7.4712 7.4712 8.1246 8.1246 8.7427 8.7427 8.7808 8.7808 8.9041 8.9041 8.9350 8.9350 9.1716 9.1716 9.5905 9.5905 10.6628 10.6628 11.3298 11.3298 12.0063 12.0063 12.0612 12.0612 13.5322 13.5322 13.9047 13.9047 k = 0.0000 0.5765 0.4990 ( 2898 PWs) bands (ev): -29.9057 -29.9057 -11.2314 -11.2314 -10.8799 -10.8799 -10.8178 -10.8178 -1.6500 -1.6500 -0.2082 -0.2082 5.0660 5.0660 5.1306 5.1306 6.8372 6.8372 7.1067 7.1067 7.4715 7.4715 8.1230 8.1230 8.7456 8.7456 8.7786 8.7786 8.9039 8.9039 8.9345 8.9345 9.1730 9.1730 9.5876 9.5876 10.6630 10.6630 11.3397 11.3397 11.9947 11.9947 12.0599 12.0599 13.5319 13.5319 13.9073 13.9073 k = 0.0000 0.5765 0.4990 ( 2898 PWs) bands (ev): -29.9057 -29.9057 -11.2314 -11.2314 -10.8799 -10.8799 -10.8178 -10.8178 -1.6500 -1.6500 -0.2082 -0.2082 5.0660 5.0660 5.1306 5.1306 6.8372 6.8372 7.1067 7.1067 7.4715 7.4715 8.1230 8.1230 8.7456 8.7456 8.7786 8.7786 8.9039 8.9039 8.9345 8.9345 9.1730 9.1730 9.5876 9.5876 10.6630 10.6630 11.3397 11.3397 11.9947 11.9947 12.0599 12.0599 13.5319 13.5319 13.9073 13.9073 k = 0.0064 0.5655 0.5117 ( 2896 PWs) bands (ev): -29.9057 -29.9057 -11.2314 -11.2314 -10.8799 -10.8799 -10.8178 -10.8178 -1.6497 -1.6497 -0.2075 -0.2075 5.0663 5.0663 5.1308 5.1308 6.8323 6.8323 7.1104 7.1104 7.4706 7.4706 8.1234 8.1234 8.7437 8.7437 8.7767 8.7767 8.9050 8.9050 8.9374 8.9374 9.1723 9.1723 9.5876 9.5876 10.6594 10.6594 11.3376 11.3376 11.9948 11.9948 12.0458 12.0458 13.5486 13.5486 13.9108 13.9108 k = 0.0128 0.5544 0.5245 ( 2900 PWs) bands (ev): -29.9057 -29.9057 -11.2314 -11.2314 -10.8799 -10.8799 -10.8180 -10.8180 -1.6487 -1.6487 -0.2052 -0.2052 5.0671 5.0671 5.1314 5.1314 6.8185 6.8185 7.1207 7.1207 7.4679 7.4679 8.1244 8.1244 8.7383 8.7383 8.7710 8.7710 8.9087 8.9087 8.9451 8.9451 9.1700 9.1700 9.5875 9.5875 10.6486 10.6486 11.3314 11.3314 11.9943 11.9943 12.0061 12.0061 13.5968 13.5968 13.9212 13.9212 k = 0.0192 0.5433 0.5373 ( 2902 PWs) bands (ev): -29.9056 -29.9056 -11.2315 -11.2315 -10.8800 -10.8800 -10.8182 -10.8182 -1.6471 -1.6471 -0.2014 -0.2014 5.0684 5.0684 5.1323 5.1323 6.7975 6.7975 7.1359 7.1359 7.4634 7.4634 8.1262 8.1262 8.7303 8.7303 8.7622 8.7622 8.9151 8.9151 8.9562 8.9562 9.1663 9.1663 9.5876 9.5876 10.6312 10.6312 11.3208 11.3208 11.9435 11.9435 11.9955 11.9955 13.6715 13.6715 13.9387 13.9387 k = 0.0256 0.5323 0.5501 ( 2902 PWs) bands (ev): -29.9056 -29.9056 -11.2315 -11.2315 -10.8800 -10.8800 -10.8185 -10.8185 -1.6448 -1.6448 -0.1961 -0.1961 5.0702 5.0702 5.1335 5.1335 6.7714 6.7714 7.1540 7.1540 7.4573 7.4573 8.1285 8.1285 8.7206 8.7206 8.7511 8.7511 8.9238 8.9238 8.9693 8.9693 9.1612 9.1612 9.5877 9.5877 10.6079 10.6079 11.3058 11.3058 11.8664 11.8664 11.9956 11.9956 13.7667 13.7667 13.9633 13.9634 k = 0.0321 0.5212 0.5629 ( 2900 PWs) bands (ev): -29.9055 -29.9055 -11.2316 -11.2316 -10.8801 -10.8801 -10.8189 -10.8189 -1.6419 -1.6419 -0.1894 -0.1894 5.0723 5.0723 5.1350 5.1350 6.7417 6.7417 7.1735 7.1735 7.4496 7.4496 8.1314 8.1314 8.7098 8.7098 8.7386 8.7386 8.9341 8.9341 8.9834 8.9834 9.1550 9.1550 9.5877 9.5877 10.5795 10.5795 11.2863 11.2863 11.7789 11.7789 11.9957 11.9957 13.8767 13.8767 13.9952 13.9952 k = 0.0385 0.5101 0.5757 ( 2896 PWs) bands (ev): -29.9055 -29.9055 -11.2317 -11.2317 -10.8801 -10.8801 -10.8194 -10.8194 -1.6384 -1.6384 -0.1812 -0.1812 5.0748 5.0748 5.1367 5.1367 6.7096 6.7096 7.1935 7.1935 7.4404 7.4404 8.1347 8.1347 8.6983 8.6983 8.7254 8.7254 8.9451 8.9451 8.9981 8.9981 9.1478 9.1478 9.5878 9.5878 10.5469 10.5469 11.2622 11.2622 11.6852 11.6852 11.9956 11.9956 13.9958 13.9958 14.0351 14.0351 k = 0.0449 0.4990 0.5885 ( 2892 PWs) bands (ev): -29.9054 -29.9054 -11.2318 -11.2318 -10.8802 -10.8802 -10.8199 -10.8199 -1.6343 -1.6343 -0.1716 -0.1716 5.0774 5.0774 5.1384 5.1384 6.6759 6.6759 7.2132 7.2132 7.4297 7.4297 8.1384 8.1384 8.6866 8.6866 8.7121 8.7121 8.9563 8.9563 9.0128 9.0128 9.1399 9.1399 9.5878 9.5878 10.5110 10.5110 11.2337 11.2337 11.5886 11.5886 11.9952 11.9952 14.0756 14.0756 14.1271 14.1271 k = 0.0513 0.4880 0.6013 ( 2890 PWs) bands (ev): -29.9053 -29.9053 -11.2319 -11.2319 -10.8803 -10.8803 -10.8205 -10.8205 -1.6296 -1.6296 -0.1606 -0.1606 5.0802 5.0802 5.1401 5.1401 6.6413 6.6413 7.2322 7.2322 7.4179 7.4179 8.1422 8.1422 8.6749 8.6749 8.6991 8.6991 8.9667 8.9667 9.0273 9.0273 9.1319 9.1319 9.5878 9.5878 10.4726 10.4726 11.2009 11.2009 11.4913 11.4913 11.9942 11.9942 14.1269 14.1269 14.2568 14.2568 k = 0.0577 0.4769 0.6141 ( 2888 PWs) bands (ev): -29.9052 -29.9052 -11.2321 -11.2321 -10.8805 -10.8805 -10.8211 -10.8211 -1.6244 -1.6244 -0.1483 -0.1483 5.0829 5.0829 5.1417 5.1417 6.6063 6.6063 7.2501 7.2501 7.4050 7.4050 8.1460 8.1460 8.6633 8.6633 8.6867 8.6867 8.9756 8.9756 9.0412 9.0412 9.1245 9.1245 9.5877 9.5877 10.4325 10.4325 11.1642 11.1642 11.3950 11.3950 11.9926 11.9926 14.1823 14.1823 14.3854 14.3854 k = 0.0641 0.4658 0.6269 ( 2886 PWs) bands (ev): -29.9051 -29.9051 -11.2322 -11.2322 -10.8806 -10.8806 -10.8217 -10.8217 -1.6186 -1.6186 -0.1348 -0.1348 5.0854 5.0854 5.1430 5.1430 6.5713 6.5713 7.2668 7.2668 7.3911 7.3911 8.1497 8.1497 8.6518 8.6518 8.6752 8.6752 8.9818 8.9818 9.0543 9.0543 9.1186 9.1186 9.5875 9.5875 10.3914 10.3914 11.1238 11.1238 11.3012 11.3012 11.9901 11.9901 14.2417 14.2417 14.4572 14.4572 k = 0.0705 0.4548 0.6397 ( 2882 PWs) bands (ev): -29.9050 -29.9050 -11.2324 -11.2324 -10.8808 -10.8808 -10.8224 -10.8224 -1.6124 -1.6124 -0.1200 -0.1200 5.0875 5.0875 5.1438 5.1438 6.5370 6.5370 7.2820 7.2820 7.3766 7.3766 8.1532 8.1532 8.6409 8.6409 8.6649 8.6649 8.9844 8.9844 9.0665 9.0665 9.1156 9.1156 9.5872 9.5872 10.3498 10.3498 11.0802 11.0802 11.2109 11.2109 11.9865 11.9865 14.3043 14.3043 14.5179 14.5179 k = 0.0769 0.4437 0.6525 ( 2882 PWs) bands (ev): -29.9049 -29.9049 -11.2327 -11.2327 -10.8811 -10.8811 -10.8231 -10.8231 -1.6057 -1.6057 -0.1040 -0.1040 5.0891 5.0891 5.1440 5.1440 6.5035 6.5035 7.2955 7.2955 7.3616 7.3616 8.1561 8.1561 8.6304 8.6304 8.6557 8.6557 8.9824 8.9824 9.0774 9.0774 9.1162 9.1162 9.5867 9.5867 10.3081 10.3081 11.0333 11.0333 11.1253 11.1253 11.9815 11.9815 14.3693 14.3693 14.5791 14.5791 k = 0.0833 0.4326 0.6653 ( 2884 PWs) bands (ev): -29.9048 -29.9048 -11.2329 -11.2329 -10.8814 -10.8814 -10.8238 -10.8238 -1.5986 -1.5986 -0.0870 -0.0870 5.0900 5.0900 5.1435 5.1435 6.4714 6.4714 7.3074 7.3074 7.3466 7.3466 8.1584 8.1584 8.6207 8.6207 8.6477 8.6477 8.9758 8.9758 9.0873 9.0873 9.1206 9.1206 9.5861 9.5861 10.2667 10.2667 10.9827 10.9827 11.0459 11.0459 11.9749 11.9749 14.4357 14.4357 14.6409 14.6409 k = 0.0897 0.4215 0.6781 ( 2882 PWs) bands (ev): -29.9047 -29.9047 -11.2332 -11.2332 -10.8817 -10.8817 -10.8245 -10.8245 -1.5911 -1.5911 -0.0690 -0.0690 5.0901 5.0901 5.1420 5.1420 6.4409 6.4409 7.3166 7.3166 7.3325 7.3325 8.1600 8.1600 8.6118 8.6118 8.6410 8.6410 8.9652 8.9652 9.0963 9.0963 9.1277 9.1277 9.5852 9.5852 10.2258 10.2258 10.9271 10.9271 10.9751 10.9751 11.9664 11.9664 14.5024 14.5024 14.7034 14.7034 k = 0.0962 0.4105 0.6909 ( 2880 PWs) bands (ev): -29.9046 -29.9046 -11.2335 -11.2335 -10.8821 -10.8821 -10.8252 -10.8252 -1.5832 -1.5832 -0.0500 -0.0500 5.0891 5.0891 5.1393 5.1393 6.4124 6.4124 7.3134 7.3134 7.3294 7.3294 8.1607 8.1607 8.6038 8.6038 8.6355 8.6355 8.9516 8.9516 9.1048 9.1048 9.1365 9.1365 9.5842 9.5842 10.1856 10.1856 10.8659 10.8659 10.9142 10.9142 11.9559 11.9559 14.5682 14.5682 14.7670 14.7670 k = 0.1026 0.3994 0.7036 ( 2882 PWs) bands (ev): -29.9044 -29.9044 -11.2338 -11.2338 -10.8826 -10.8826 -10.8258 -10.8258 -1.5751 -1.5751 -0.0303 -0.0303 5.0869 5.0869 5.1354 5.1354 6.3863 6.3863 7.2999 7.2999 7.3354 7.3354 8.1603 8.1603 8.5967 8.5967 8.6313 8.6313 8.9359 8.9359 9.1129 9.1129 9.1461 9.1461 9.5829 9.5829 10.1460 10.1460 10.8030 10.8030 10.8600 10.8600 11.9430 11.9430 14.6321 14.6321 14.8323 14.8323 k = 0.1090 0.3883 0.7164 ( 2886 PWs) bands (ev): -29.9043 -29.9043 -11.2342 -11.2342 -10.8831 -10.8831 -10.8264 -10.8264 -1.5668 -1.5668 -0.0098 -0.0098 5.0834 5.0834 5.1301 5.1301 6.3627 6.3627 7.2863 7.2863 7.3407 7.3407 8.1589 8.1589 8.5904 8.5904 8.6283 8.6283 8.9187 8.9187 9.1204 9.1204 9.1559 9.1559 9.5812 9.5812 10.1071 10.1071 10.7425 10.7425 10.8092 10.8092 11.9277 11.9277 14.6928 14.6928 14.9003 14.9003 k = 0.1154 0.3773 0.7292 ( 2884 PWs) bands (ev): -29.9042 -29.9042 -11.2345 -11.2345 -10.8836 -10.8836 -10.8270 -10.8270 -1.5582 -1.5582 0.0113 0.0113 5.0785 5.0785 5.1232 5.1232 6.3421 6.3421 7.2735 7.2735 7.3447 7.3447 8.1566 8.1566 8.5849 8.5849 8.6265 8.6265 8.9008 8.9008 9.1275 9.1275 9.1658 9.1658 9.5792 9.5792 10.0689 10.0689 10.6859 10.6859 10.7606 10.7606 11.9097 11.9097 14.7497 14.7497 14.9713 14.9713 k = 0.1218 0.3662 0.7420 ( 2884 PWs) bands (ev): -29.9040 -29.9040 -11.2349 -11.2349 -10.8842 -10.8842 -10.8275 -10.8275 -1.5496 -1.5496 0.0328 0.0328 5.0720 5.0720 5.1148 5.1148 6.3244 6.3244 7.2618 7.2618 7.3471 7.3471 8.1532 8.1532 8.5801 8.5801 8.6259 8.6259 8.8823 8.8823 9.1342 9.1342 9.1755 9.1755 9.5769 9.5769 10.0312 10.0312 10.6340 10.6340 10.7140 10.7140 11.8890 11.8890 14.8026 14.8026 15.0219 15.0219 k = 0.1282 0.3551 0.7548 ( 2888 PWs) bands (ev): -29.9039 -29.9039 -11.2353 -11.2353 -10.8848 -10.8848 -10.8279 -10.8279 -1.5408 -1.5408 0.0548 0.0548 5.0640 5.0640 5.1049 5.1049 6.3099 6.3099 7.2514 7.2514 7.3482 7.3482 8.1488 8.1488 8.5759 8.5759 8.6262 8.6262 8.8636 8.8636 9.1405 9.1405 9.1851 9.1851 9.5741 9.5741 9.9941 9.9941 10.5867 10.5867 10.6696 10.6696 11.8656 11.8656 14.8516 14.8516 14.9918 14.9918 k = 0.1346 0.3440 0.7676 ( 2892 PWs) bands (ev): -29.9037 -29.9037 -11.2357 -11.2357 -10.8855 -10.8855 -10.8284 -10.8284 -1.5320 -1.5320 0.0769 0.0769 5.0544 5.0544 5.0934 5.0934 6.2985 6.2985 7.2425 7.2425 7.3479 7.3479 8.1436 8.1436 8.5721 8.5721 8.6273 8.6273 8.8449 8.8449 9.1466 9.1466 9.1944 9.1944 9.5708 9.5708 9.9573 9.9573 10.5442 10.5442 10.6275 10.6275 11.8396 11.8396 14.8973 14.8973 14.9657 14.9657 k = 0.1410 0.3330 0.7804 ( 2886 PWs) bands (ev): -29.9036 -29.9036 -11.2361 -11.2361 -10.8862 -10.8862 -10.8287 -10.8287 -1.5233 -1.5233 0.0992 0.0992 5.0433 5.0433 5.0805 5.0805 6.2902 6.2902 7.2352 7.2352 7.3463 7.3463 8.1377 8.1377 8.5688 8.5688 8.6291 8.6291 8.8266 8.8266 9.1528 9.1528 9.2036 9.2036 9.5671 9.5671 9.9209 9.9209 10.5063 10.5063 10.5881 10.5881 11.8110 11.8110 14.9390 14.9390 14.9466 14.9466 k = 0.1474 0.3219 0.7932 ( 2884 PWs) bands (ev): -29.9035 -29.9035 -11.2365 -11.2365 -10.8869 -10.8869 -10.8289 -10.8289 -1.5146 -1.5146 0.1214 0.1214 5.0308 5.0308 5.0663 5.0663 6.2850 6.2850 7.2296 7.2296 7.3437 7.3437 8.1312 8.1312 8.5657 8.5657 8.6314 8.6314 8.8087 8.8087 9.1592 9.1592 9.2126 9.2126 9.5629 9.5629 9.8848 9.8848 10.4727 10.4727 10.5516 10.5516 11.7803 11.7803 14.9309 14.9309 14.9818 14.9818 k = 0.1538 0.3108 0.8060 ( 2884 PWs) bands (ev): -29.9033 -29.9033 -11.2369 -11.2369 -10.8876 -10.8876 -10.8292 -10.8292 -1.5061 -1.5061 0.1434 0.1434 5.0171 5.0171 5.0511 5.0511 6.2825 6.2825 7.2256 7.2256 7.3399 7.3399 8.1242 8.1242 8.5629 8.5629 8.6338 8.6338 8.7914 8.7914 9.1659 9.1659 9.2214 9.2214 9.5580 9.5580 9.8489 9.8489 10.4431 10.4431 10.5180 10.5180 11.7475 11.7475 14.9239 14.9239 15.0213 15.0213 k = 0.1603 0.2997 0.8188 ( 2886 PWs) bands (ev): -29.9032 -29.9032 -11.2374 -11.2374 -10.8883 -10.8883 -10.8294 -10.8294 -1.4978 -1.4978 0.1650 0.1650 5.0024 5.0024 5.0350 5.0350 6.2827 6.2827 7.2233 7.2233 7.3353 7.3353 8.1169 8.1169 8.5602 8.5602 8.6363 8.6363 8.7748 8.7748 9.1732 9.1732 9.2303 9.2303 9.5524 9.5524 9.8133 9.8133 10.4173 10.4173 10.4874 10.4874 11.7133 11.7133 14.9237 14.9237 15.0597 15.0597 k = 0.1667 0.2887 0.8316 ( 2886 PWs) bands (ev): -29.9031 -29.9031 -11.2378 -11.2378 -10.8890 -10.8890 -10.8295 -10.8295 -1.4898 -1.4898 0.1862 0.1862 4.9869 4.9869 5.0184 5.0184 6.2851 6.2851 7.2225 7.2225 7.3298 7.3298 8.1094 8.1094 8.5576 8.5576 8.6386 8.6386 8.7590 8.7590 9.1811 9.1811 9.2394 9.2394 9.5462 9.5462 9.7781 9.7781 10.3950 10.3950 10.4598 10.4598 11.6779 11.6779 14.9305 14.9305 15.0975 15.0975 k = 0.1731 0.2776 0.8444 ( 2890 PWs) bands (ev): -29.9030 -29.9030 -11.2382 -11.2382 -10.8897 -10.8897 -10.8297 -10.8297 -1.4821 -1.4821 0.2066 0.2066 4.9711 4.9711 5.0013 5.0013 6.2895 6.2895 7.2231 7.2231 7.3237 7.3237 8.1019 8.1019 8.5551 8.5551 8.6406 8.6406 8.7442 8.7442 9.1898 9.1898 9.2486 9.2486 9.5392 9.5392 9.7433 9.7433 10.3758 10.3758 10.4353 10.4353 11.6421 11.6421 14.9442 14.9442 15.1349 15.1349 k = 0.1795 0.2665 0.8572 ( 2886 PWs) bands (ev): -29.9029 -29.9029 -11.2386 -11.2386 -10.8904 -10.8904 -10.8297 -10.8297 -1.4747 -1.4747 0.2262 0.2262 4.9551 4.9551 4.9842 4.9842 6.2955 6.2955 7.2250 7.2250 7.3172 7.3172 8.0945 8.0945 8.5528 8.5528 8.6422 8.6422 8.7305 8.7305 9.1994 9.1994 9.2582 9.2582 9.5314 9.5314 9.7092 9.7092 10.3595 10.3595 10.4136 10.4136 11.6062 11.6062 14.9645 14.9645 15.1724 15.1724 k = 0.1859 0.2555 0.8700 ( 2890 PWs) bands (ev): -29.9028 -29.9028 -11.2390 -11.2390 -10.8910 -10.8910 -10.8298 -10.8298 -1.4678 -1.4678 0.2448 0.2448 4.9393 4.9393 4.9672 4.9672 6.3028 6.3028 7.2279 7.2279 7.3103 7.3103 8.0872 8.0872 8.5505 8.5505 8.6432 8.6432 8.7179 8.7179 9.2097 9.2097 9.2682 9.2682 9.5227 9.5227 9.6758 9.6758 10.3457 10.3457 10.3947 10.3947 11.5709 11.5709 14.9911 14.9911 15.2100 15.2100 k = 0.1923 0.2444 0.8828 ( 2892 PWs) bands (ev): -29.9027 -29.9027 -11.2394 -11.2394 -10.8917 -10.8917 -10.8298 -10.8298 -1.4614 -1.4614 0.2622 0.2622 4.9240 4.9240 4.9508 4.9508 6.3109 6.3109 7.2315 7.2315 7.3032 7.3032 8.0802 8.0802 8.5482 8.5482 8.6436 8.6436 8.7067 8.7067 9.2210 9.2210 9.2788 9.2788 9.5131 9.5131 9.6436 9.6436 10.3342 10.3342 10.3782 10.3782 11.5368 11.5368 15.0235 15.0235 15.2480 15.2480 k = 0.1987 0.2333 0.8956 ( 2894 PWs) bands (ev): -29.9026 -29.9026 -11.2397 -11.2397 -10.8922 -10.8922 -10.8298 -10.8298 -1.4555 -1.4555 0.2782 0.2782 4.9096 4.9096 4.9351 4.9351 6.3195 6.3195 7.2357 7.2357 7.2962 7.2962 8.0737 8.0737 8.5461 8.5461 8.6433 8.6433 8.6970 8.6970 9.2331 9.2331 9.2900 9.2900 9.5027 9.5027 9.6126 9.6126 10.3246 10.3246 10.3640 10.3640 11.5044 11.5044 15.0614 15.0614 15.2866 15.2866 k = 0.2051 0.2222 0.9083 ( 2890 PWs) bands (ev): -29.9025 -29.9025 -11.2400 -11.2400 -10.8927 -10.8927 -10.8298 -10.8298 -1.4502 -1.4502 0.2928 0.2928 4.8961 4.8961 4.9205 4.9205 6.3282 6.3282 7.2402 7.2402 7.2895 7.2895 8.0676 8.0676 8.5441 8.5441 8.6423 8.6423 8.6889 8.6889 9.2460 9.2460 9.3019 9.3019 9.4912 9.4912 9.5831 9.5831 10.3169 10.3169 10.3521 10.3521 11.4744 11.4744 15.1042 15.1042 15.3258 15.3258 k = 0.2115 0.2112 0.9211 ( 2890 PWs) bands (ev): -29.9024 -29.9024 -11.2403 -11.2403 -10.8932 -10.8932 -10.8298 -10.8298 -1.4455 -1.4455 0.3057 0.3057 4.8840 4.8840 4.9072 4.9072 6.3366 6.3366 7.2446 7.2446 7.2832 7.2832 8.0622 8.0622 8.5422 8.5422 8.6406 8.6406 8.6824 8.6824 9.2595 9.2595 9.3144 9.3144 9.4788 9.4788 9.5554 9.5554 10.3106 10.3106 10.3421 10.3421 11.4471 11.4471 15.1511 15.1511 15.3656 15.3656 k = 0.2179 0.2001 0.9339 ( 2892 PWs) bands (ev): -29.9024 -29.9024 -11.2406 -11.2406 -10.8936 -10.8936 -10.8298 -10.8298 -1.4415 -1.4415 0.3169 0.3169 4.8734 4.8734 4.8956 4.8956 6.3444 6.3444 7.2487 7.2487 7.2776 7.2776 8.0574 8.0574 8.5406 8.5406 8.6384 8.6384 8.6775 8.6775 9.2737 9.2737 9.3271 9.3271 9.4654 9.4654 9.5298 9.5298 10.3057 10.3057 10.3339 10.3339 11.4231 11.4231 15.2012 15.2012 15.4061 15.4061 k = 0.2244 0.1890 0.9467 ( 2896 PWs) bands (ev): -29.9023 -29.9023 -11.2408 -11.2408 -10.8939 -10.8939 -10.8298 -10.8298 -1.4381 -1.4381 0.3263 0.3263 4.8644 4.8644 4.8857 4.8857 6.3513 6.3513 7.2522 7.2522 7.2729 7.2729 8.0533 8.0533 8.5391 8.5391 8.6359 8.6359 8.6740 8.6740 9.2883 9.2883 9.3398 9.3398 9.4515 9.4515 9.5065 9.5065 10.3019 10.3019 10.3273 10.3273 11.4028 11.4028 15.2533 15.2533 15.4469 15.4469 k = 0.2308 0.1780 0.9595 ( 2896 PWs) bands (ev): -29.9023 -29.9023 -11.2409 -11.2409 -10.8941 -10.8941 -10.8298 -10.8298 -1.4355 -1.4355 0.3336 0.3336 4.8573 4.8573 4.8778 4.8778 6.3570 6.3570 7.2548 7.2548 7.2694 7.2694 8.0501 8.0501 8.5380 8.5380 8.6335 8.6335 8.6715 8.6715 9.3031 9.3031 9.3517 9.3517 9.4377 9.4377 9.4859 9.4859 10.2991 10.2991 10.3223 10.3223 11.3867 11.3867 15.3050 15.3050 15.4876 15.4876 k = 0.2372 0.1669 0.9723 ( 2890 PWs) bands (ev): -29.9023 -29.9023 -11.2410 -11.2410 -10.8943 -10.8943 -10.8297 -10.8297 -1.4336 -1.4336 0.3389 0.3389 4.8522 4.8522 4.8720 4.8720 6.3612 6.3612 7.2561 7.2561 7.2674 7.2674 8.0478 8.0478 8.5372 8.5372 8.6316 8.6316 8.6700 8.6700 9.3175 9.3175 9.3610 9.3610 9.4262 9.4262 9.4683 9.4683 10.2973 10.2973 10.3189 10.3189 11.3750 11.3750 15.3525 15.3525 15.5264 15.5264 k = 0.2436 0.1558 0.9851 ( 2890 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4325 -1.4325 0.3422 0.3422 4.8490 4.8490 4.8686 4.8686 6.3638 6.3638 7.2565 7.2565 7.2667 7.2667 8.0464 8.0464 8.5367 8.5367 8.6303 8.6303 8.6691 8.6691 9.3297 9.3297 9.3651 9.3651 9.4199 9.4199 9.4551 9.4551 10.2962 10.2962 10.3168 10.3168 11.3678 11.3678 15.3884 15.3884 15.5587 15.5587 k = 0.2500 0.1447 0.9979 ( 2888 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4321 -1.4321 0.3432 0.3432 4.8480 4.8480 4.8674 4.8674 6.3647 6.3647 7.2565 7.2565 7.2666 7.2666 8.0460 8.0460 8.5365 8.5365 8.6299 8.6299 8.6689 8.6689 9.3352 9.3352 9.3651 9.3651 9.4187 9.4187 9.4496 9.4496 10.2959 10.2959 10.3161 10.3161 11.3654 11.3654 15.4024 15.4024 15.5729 15.5729 k = 0.2500 0.1447 0.9979 ( 2888 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4321 -1.4321 0.3432 0.3432 4.8480 4.8480 4.8674 4.8674 6.3647 6.3647 7.2565 7.2565 7.2666 7.2666 8.0460 8.0460 8.5365 8.5365 8.6299 8.6299 8.6689 8.6689 9.3352 9.3352 9.3651 9.3651 9.4187 9.4187 9.4496 9.4496 10.2959 10.2959 10.3161 10.3161 11.3654 11.3654 15.4024 15.4024 15.5729 15.5729 k = 0.2632 0.1524 0.9891 ( 2886 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4322 -1.4322 0.3430 0.3430 4.8399 4.8399 4.8764 4.8764 6.3638 6.3638 7.2228 7.2228 7.3003 7.3003 8.0473 8.0473 8.5361 8.5361 8.6285 8.6285 8.6704 8.6704 9.3334 9.3334 9.3650 9.3650 9.4162 9.4162 9.4549 9.4549 10.2948 10.2948 10.3172 10.3172 11.3671 11.3671 15.3914 15.3914 15.5664 15.5664 k = 0.2763 0.1600 0.9803 ( 2884 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4324 -1.4324 0.3423 0.3423 4.8273 4.8273 4.8920 4.8920 6.3611 6.3611 7.1845 7.1845 7.3383 7.3383 8.0513 8.0513 8.5348 8.5348 8.6242 8.6242 8.6745 8.6745 9.3287 9.3287 9.3646 9.3646 9.4099 9.4099 9.4689 9.4689 10.2923 10.2923 10.3198 10.3198 11.3718 11.3718 15.3603 15.3603 15.5539 15.5539 k = 0.2895 0.1676 0.9715 ( 2890 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4328 -1.4328 0.3409 0.3409 4.8150 4.8150 4.9094 4.9094 6.3564 6.3564 7.1467 7.1467 7.3758 7.3758 8.0578 8.0578 8.5326 8.5326 8.6184 8.6184 8.6799 8.6799 9.3225 9.3225 9.3636 9.3636 9.4026 9.4026 9.4880 9.4880 10.2887 10.2887 10.3231 10.3231 11.3794 11.3794 15.3132 15.3132 15.5394 15.5395 k = 0.3026 0.1752 0.9627 ( 2890 PWs) bands (ev): -29.9023 -29.9023 -11.2410 -11.2410 -10.8943 -10.8943 -10.8297 -10.8297 -1.4332 -1.4332 0.3387 0.3387 4.8037 4.8037 4.9282 4.9282 6.3498 6.3498 7.1097 7.1097 7.4124 7.4124 8.0668 8.0668 8.5296 8.5296 8.6119 8.6119 8.6859 8.6859 9.3156 9.3156 9.3619 9.3619 9.3957 9.3957 9.5103 9.5103 10.2846 10.2846 10.3269 10.3269 11.3898 11.3898 15.2548 15.2548 15.4972 15.4973 k = 0.3158 0.1828 0.9539 ( 2891 PWs) bands (ev): -29.9023 -29.9023 -11.2410 -11.2410 -10.8943 -10.8943 -10.8297 -10.8297 -1.4336 -1.4336 0.3356 0.3356 4.7936 4.7936 4.9483 4.9483 6.3412 6.3412 7.0736 7.0736 7.4480 7.4480 8.0781 8.0781 8.5258 8.5258 8.6051 8.6051 8.6918 8.6918 9.3084 9.3084 9.3597 9.3597 9.3897 9.3897 9.5351 9.5351 10.2801 10.2801 10.3308 10.3308 11.4025 11.4025 15.1888 15.1888 15.4349 15.4349 k = 0.3289 0.1905 0.9451 ( 2889 PWs) bands (ev): -29.9023 -29.9023 -11.2409 -11.2409 -10.8941 -10.8941 -10.8298 -10.8298 -1.4339 -1.4339 0.3316 0.3316 4.7848 4.7848 4.9697 4.9697 6.3307 6.3307 7.0389 7.0389 7.4823 7.4823 8.0913 8.0913 8.5211 8.5211 8.5983 8.5983 8.6973 8.6973 9.3014 9.3014 9.3571 9.3571 9.3847 9.3847 9.5617 9.5617 10.2754 10.2754 10.3347 10.3347 11.4174 11.4174 15.1185 15.1185 15.3721 15.3721 k = 0.3421 0.1981 0.9363 ( 2887 PWs) bands (ev): -29.9023 -29.9023 -11.2409 -11.2409 -10.8940 -10.8940 -10.8298 -10.8298 -1.4341 -1.4341 0.3265 0.3265 4.7773 4.7773 4.9923 4.9923 6.3185 6.3185 7.0057 7.0057 7.5149 7.5149 8.1064 8.1064 8.5156 8.5156 8.5916 8.5916 8.7023 8.7023 9.2946 9.2946 9.3542 9.3542 9.3808 9.3808 9.5900 9.5900 10.2705 10.2705 10.3385 10.3385 11.4343 11.4343 15.0466 15.0466 15.3099 15.3099 k = 0.3553 0.2057 0.9275 ( 2887 PWs) bands (ev): -29.9023 -29.9023 -11.2408 -11.2408 -10.8939 -10.8939 -10.8298 -10.8298 -1.4342 -1.4342 0.3203 0.3203 4.7711 4.7711 5.0163 5.0163 6.3047 6.3047 6.9743 6.9743 7.5458 7.5458 8.1229 8.1229 8.5093 8.5093 8.5851 8.5851 8.7066 8.7066 9.2879 9.2879 9.3517 9.3517 9.3777 9.3777 9.6196 9.6196 10.2655 10.2655 10.3420 10.3420 11.4527 11.4527 14.9753 14.9753 15.2491 15.2491 k = 0.3684 0.2133 0.9187 ( 2888 PWs) bands (ev): -29.9023 -29.9023 -11.2407 -11.2407 -10.8937 -10.8937 -10.8298 -10.8298 -1.4341 -1.4341 0.3129 0.3129 4.7664 4.7664 5.0414 5.0414 6.2895 6.2895 6.9449 6.9449 7.5745 7.5745 8.1407 8.1407 8.5023 8.5023 8.5790 8.5790 8.7100 8.7100 9.2812 9.2812 9.3499 9.3499 9.3754 9.3754 9.6503 9.6503 10.2604 10.2604 10.3452 10.3452 11.4725 11.4725 14.9062 14.9062 15.1905 15.1905 k = 0.3816 0.2209 0.9099 ( 2891 PWs) bands (ev): -29.9024 -29.9024 -11.2406 -11.2406 -10.8936 -10.8936 -10.8299 -10.8299 -1.4338 -1.4338 0.3042 0.3042 4.7631 4.7631 5.0676 5.0676 6.2731 6.2731 6.9177 6.9177 7.6010 7.6010 8.1594 8.1594 8.4944 8.4944 8.5733 8.5733 8.7125 8.7125 9.2746 9.2746 9.3494 9.3494 9.3736 9.3736 9.6819 9.6819 10.2553 10.2553 10.3479 10.3479 11.4931 11.4931 14.8406 14.8406 15.1347 15.1347 k = 0.3947 0.2285 0.9011 ( 2891 PWs) bands (ev): -29.9024 -29.9024 -11.2405 -11.2405 -10.8934 -10.8934 -10.8299 -10.8299 -1.4333 -1.4333 0.2944 0.2944 4.7613 4.7613 5.0947 5.0947 6.2558 6.2558 6.8929 6.8929 7.6249 7.6249 8.1788 8.1788 8.4858 8.4858 8.5683 8.5683 8.7141 8.7141 9.2677 9.2677 9.3503 9.3503 9.3723 9.3723 9.7143 9.7143 10.2503 10.2503 10.3503 10.3503 11.5143 11.5143 14.7798 14.7798 15.0822 15.0822 k = 0.4079 0.2362 0.8923 ( 2889 PWs) bands (ev): -29.9024 -29.9024 -11.2403 -11.2403 -10.8932 -10.8932 -10.8299 -10.8299 -1.4326 -1.4326 0.2834 0.2834 4.7609 4.7609 5.1225 5.1225 6.2379 6.2379 6.8706 6.8706 7.6461 7.6461 8.1987 8.1987 8.4766 8.4766 8.5640 8.5640 8.7148 8.7148 9.2606 9.2606 9.3527 9.3527 9.3718 9.3718 9.7471 9.7471 10.2454 10.2454 10.3523 10.3523 11.5357 11.5357 14.7246 14.7246 15.0337 15.0337 k = 0.4211 0.2438 0.8835 ( 2893 PWs) bands (ev): -29.9025 -29.9025 -11.2402 -11.2402 -10.8930 -10.8930 -10.8300 -10.8300 -1.4318 -1.4318 0.2713 0.2713 4.7621 4.7621 5.1508 5.1508 6.2197 6.2197 6.8511 6.8511 7.6644 7.6644 8.2185 8.2185 8.4666 8.4666 8.5605 8.5605 8.7146 8.7146 9.2531 9.2531 9.3559 9.3559 9.3727 9.3727 9.7800 9.7800 10.2407 10.2407 10.3540 10.3540 11.5567 11.5567 14.6758 14.6758 14.9894 14.9894 k = 0.4342 0.2514 0.8747 ( 2896 PWs) bands (ev): -29.9025 -29.9025 -11.2401 -11.2401 -10.8927 -10.8927 -10.8301 -10.8301 -1.4308 -1.4308 0.2581 0.2581 4.7648 4.7648 5.1793 5.1793 6.2014 6.2014 6.8345 6.8345 7.6796 7.6796 8.2382 8.2382 8.4562 8.4562 8.5581 8.5581 8.7134 8.7134 9.2454 9.2454 9.3586 9.3586 9.3761 9.3761 9.8129 9.8129 10.2363 10.2363 10.3554 10.3554 11.5770 11.5770 14.6339 14.6339 14.9498 14.9498 k = 0.4474 0.2590 0.8659 ( 2892 PWs) bands (ev): -29.9025 -29.9025 -11.2399 -11.2399 -10.8925 -10.8925 -10.8301 -10.8301 -1.4297 -1.4297 0.2439 0.2439 4.7691 4.7691 5.2076 5.2076 6.1832 6.1832 6.8209 6.8209 7.6915 7.6915 8.2573 8.2573 8.4456 8.4456 8.5567 8.5567 8.7116 8.7116 9.2375 9.2375 9.3599 9.3599 9.3831 9.3831 9.8453 9.8453 10.2323 10.2323 10.3568 10.3568 11.5963 11.5963 14.5994 14.5994 14.9151 14.9151 k = 0.4605 0.2666 0.8571 ( 2886 PWs) bands (ev): -29.9026 -29.9026 -11.2397 -11.2397 -10.8922 -10.8922 -10.8301 -10.8301 -1.4285 -1.4285 0.2288 0.2288 4.7750 4.7750 5.2354 5.2354 6.1655 6.1655 6.8105 6.8105 7.7002 7.7002 8.2754 8.2754 8.4350 8.4350 8.5565 8.5565 8.7090 8.7090 9.2295 9.2295 9.3600 9.3600 9.3930 9.3930 9.8770 9.8770 10.2289 10.2289 10.3582 10.3582 11.6140 11.6140 14.5727 14.5727 14.8855 14.8855 k = 0.4737 0.2742 0.8483 ( 2888 PWs) bands (ev): -29.9026 -29.9026 -11.2396 -11.2396 -10.8919 -10.8919 -10.8302 -10.8302 -1.4273 -1.4273 0.2131 0.2131 4.7824 4.7824 5.2621 5.2621 6.1485 6.1485 6.8035 6.8035 7.7054 7.7054 8.2915 8.2915 8.4254 8.4254 8.5576 8.5576 8.7056 8.7056 9.2216 9.2216 9.3596 9.3596 9.4049 9.4049 9.9075 9.9075 10.2261 10.2261 10.3597 10.3597 11.6300 11.6300 14.5538 14.5538 14.8613 14.8613 k = 0.4868 0.2819 0.8395 ( 2890 PWs) bands (ev): -29.9026 -29.9026 -11.2394 -11.2394 -10.8916 -10.8916 -10.8302 -10.8302 -1.4262 -1.4262 0.1968 0.1968 4.7914 4.7914 5.2873 5.2873 6.1323 6.1323 6.8001 6.8001 7.7072 7.7072 8.3044 8.3044 8.4179 8.4179 8.5600 8.5600 8.7017 8.7017 9.2137 9.2137 9.3588 9.3588 9.4184 9.4184 9.9363 9.9363 10.2244 10.2244 10.3617 10.3617 11.6438 11.6438 14.5429 14.5429 14.8424 14.8424 k = 0.5000 0.2895 0.8307 ( 2890 PWs) bands (ev): -29.9027 -29.9027 -11.2392 -11.2392 -10.8912 -10.8912 -10.8303 -10.8303 -1.4253 -1.4253 0.1801 0.1801 4.8021 4.8021 5.3106 5.3106 6.1172 6.1172 6.8004 6.8004 7.7056 7.7056 8.3121 8.3121 8.4146 8.4146 8.5638 8.5638 8.6972 8.6972 9.2060 9.2060 9.3580 9.3580 9.4328 9.4328 9.9632 9.9632 10.2239 10.2239 10.3644 10.3644 11.6555 11.6555 14.5396 14.5396 14.8290 14.8290 k = 0.5000 0.2895 0.8307 ( 2890 PWs) bands (ev): -29.9027 -29.9027 -11.2392 -11.2392 -10.8912 -10.8912 -10.8303 -10.8303 -1.4253 -1.4253 0.1801 0.1801 4.8021 4.8021 5.3106 5.3106 6.1172 6.1172 6.8004 6.8004 7.7056 7.7056 8.3121 8.3121 8.4146 8.4146 8.5638 8.5638 8.6972 8.6972 9.2060 9.2060 9.3580 9.3580 9.4328 9.4328 9.9632 9.9632 10.2239 10.2239 10.3644 10.3644 11.6555 11.6555 14.5396 14.5396 14.8290 14.8290 k = 0.5000 0.2895 0.8126 ( 2886 PWs) bands (ev): -29.9028 -29.9028 -11.2387 -11.2387 -10.8905 -10.8905 -10.8304 -10.8304 -1.4236 -1.4236 0.1445 0.1445 4.8267 4.8267 5.3579 5.3579 6.0866 6.0866 6.8052 6.8052 7.6987 7.6987 8.3214 8.3214 8.4134 8.4134 8.5733 8.5733 8.6872 8.6872 9.1912 9.1912 9.3561 9.3561 9.4652 9.4652 10.0168 10.0168 10.2244 10.2244 10.3716 10.3716 11.6779 11.6779 14.5360 14.5360 14.8063 14.8063 k = 0.5000 0.2895 0.7945 ( 2886 PWs) bands (ev): -29.9029 -29.9029 -11.2383 -11.2383 -10.8897 -10.8897 -10.8305 -10.8305 -1.4219 -1.4219 0.1064 0.1064 4.8539 4.8539 5.4082 5.4082 6.0548 6.0548 6.8101 6.8101 7.6909 7.6909 8.3307 8.3307 8.4128 8.4128 8.5837 8.5837 8.6765 8.6765 9.1780 9.1780 9.3540 9.3540 9.5008 9.5008 10.0722 10.0722 10.2253 10.2253 10.3805 10.3805 11.7021 11.7021 14.5224 14.5224 14.7824 14.7824 k = 0.5000 0.2895 0.7765 ( 2894 PWs) bands (ev): -29.9030 -29.9030 -11.2378 -11.2378 -10.8888 -10.8888 -10.8307 -10.8307 -1.4204 -1.4204 0.0661 0.0661 4.8834 4.8834 5.4612 5.4612 6.0222 6.0222 6.8150 6.8150 7.6824 7.6824 8.3391 8.3391 8.4134 8.4134 8.5948 8.5948 8.6653 8.6653 9.1665 9.1665 9.3516 9.3516 9.5394 9.5394 10.1292 10.1292 10.2267 10.2267 10.3912 10.3912 11.7279 11.7279 14.4985 14.4985 14.7572 14.7572 k = 0.5000 0.2895 0.7584 ( 2894 PWs) bands (ev): -29.9032 -29.9032 -11.2372 -11.2372 -10.8879 -10.8879 -10.8308 -10.8308 -1.4190 -1.4190 0.0240 0.0240 4.9154 4.9154 5.5164 5.5164 5.9893 5.9893 6.8200 6.8200 7.6732 7.6732 8.3458 8.3458 8.4163 8.4163 8.6064 8.6064 8.6539 8.6539 9.1569 9.1569 9.3492 9.3492 9.5809 9.5809 10.1864 10.1864 10.2298 10.2298 10.4041 10.4041 11.7553 11.7553 14.4650 14.4650 14.7309 14.7309 k = 0.5000 0.2895 0.7404 ( 2902 PWs) bands (ev): -29.9033 -29.9033 -11.2366 -11.2366 -10.8869 -10.8869 -10.8310 -10.8310 -1.4178 -1.4178 -0.0197 -0.0197 4.9497 4.9497 5.5735 5.5735 5.9564 5.9564 6.8251 6.8251 7.6633 7.6633 8.3496 8.3496 8.4224 8.4224 8.6168 8.6168 8.6438 8.6438 9.1490 9.1490 9.3466 9.3466 9.6251 9.6251 10.2234 10.2234 10.2549 10.2549 10.4195 10.4195 11.7842 11.7842 14.4229 14.4229 14.7033 14.7033 k = 0.5000 0.2895 0.7223 ( 2906 PWs) bands (ev): -29.9035 -29.9035 -11.2360 -11.2360 -10.8858 -10.8858 -10.8312 -10.8312 -1.4169 -1.4169 -0.0647 -0.0647 4.9863 4.9863 5.6316 5.6316 5.9241 5.9241 6.8303 6.8303 7.6527 7.6527 8.3500 8.3500 8.4321 8.4321 8.6183 8.6183 8.6431 8.6431 9.1431 9.1431 9.3441 9.3441 9.6719 9.6719 10.2285 10.2285 10.3133 10.3133 10.4379 10.4379 11.8147 11.8147 14.3737 14.3737 14.6743 14.6743 k = 0.5000 0.2895 0.7042 ( 2906 PWs) bands (ev): -29.9036 -29.9036 -11.2353 -11.2353 -10.8846 -10.8846 -10.8314 -10.8314 -1.4163 -1.4163 -0.1108 -0.1108 5.0252 5.0252 5.6901 5.6901 5.8932 5.8932 6.8356 6.8356 7.6415 7.6415 8.3476 8.3476 8.4451 8.4451 8.6082 8.6082 8.6544 8.6544 9.1391 9.1391 9.3415 9.3415 9.7210 9.7210 10.2313 10.2313 10.3746 10.3746 10.4602 10.4602 11.8468 11.8468 14.3187 14.3187 14.6436 14.6436 k = 0.5000 0.2895 0.6862 ( 2902 PWs) bands (ev): -29.9038 -29.9038 -11.2346 -11.2346 -10.8834 -10.8834 -10.8315 -10.8315 -1.4160 -1.4160 -0.1578 -0.1578 5.0664 5.0664 5.7461 5.7461 5.8663 5.8663 6.8410 6.8410 7.6297 7.6297 8.3429 8.3429 8.4606 8.4606 8.5953 8.5953 8.6691 8.6691 9.1368 9.1368 9.3390 9.3390 9.7723 9.7723 10.2340 10.2340 10.4332 10.4332 10.4896 10.4896 11.8805 11.8805 14.2592 14.2592 14.6110 14.6110 k = 0.5000 0.2895 0.6681 ( 2896 PWs) bands (ev): -29.9039 -29.9039 -11.2338 -11.2338 -10.8821 -10.8821 -10.8317 -10.8317 -1.4162 -1.4162 -0.2054 -0.2054 5.1098 5.1098 5.7858 5.7858 5.8572 5.8572 6.8466 6.8466 7.6174 7.6174 8.3365 8.3365 8.4775 8.4775 8.5822 8.5822 8.6850 8.6850 9.1364 9.1364 9.3366 9.3366 9.8256 9.8256 10.2369 10.2369 10.4809 10.4809 10.5344 10.5344 11.9158 11.9158 14.1964 14.1964 14.5761 14.5761 k = 0.5000 0.2895 0.6501 ( 2896 PWs) bands (ev): -29.9041 -29.9041 -11.2330 -11.2330 -10.8807 -10.8807 -10.8318 -10.8318 -1.4169 -1.4169 -0.2534 -0.2534 5.1554 5.1554 5.7806 5.7806 5.8943 5.8943 6.8522 6.8522 7.6046 7.6046 8.3288 8.3288 8.4945 8.4945 8.5700 8.5700 8.7017 8.7017 9.1377 9.1377 9.3343 9.3343 9.8805 9.8805 10.2400 10.2400 10.5169 10.5169 10.5951 10.5951 11.9528 11.9528 14.1313 14.1313 14.5383 14.5383 k = 0.5000 0.2895 0.6320 ( 2902 PWs) bands (ev): -29.9043 -29.9043 -11.2322 -11.2322 -10.8793 -10.8793 -10.8320 -10.8320 -1.4181 -1.4181 -0.3017 -0.3017 5.2030 5.2030 5.7577 5.7577 5.9505 5.9505 6.8581 6.8581 7.5913 7.5913 8.3201 8.3201 8.5079 8.5079 8.5626 8.5626 8.7189 8.7189 9.1405 9.1405 9.3322 9.3322 9.9369 9.9369 10.2436 10.2436 10.5503 10.5503 10.6627 10.6627 11.9917 11.9917 14.0647 14.0647 14.4972 14.4972 k = 0.5000 0.2895 0.6140 ( 2894 PWs) bands (ev): -29.9045 -29.9045 -11.2313 -11.2313 -10.8778 -10.8778 -10.8321 -10.8321 -1.4199 -1.4199 -0.3500 -0.3500 5.2527 5.2527 5.7327 5.7327 6.0099 6.0099 6.8641 6.8641 7.5777 7.5777 8.3106 8.3106 8.5101 8.5101 8.5674 8.5674 8.7367 8.7367 9.1449 9.1449 9.3305 9.3305 9.9941 9.9941 10.2480 10.2480 10.5846 10.5846 10.7336 10.7336 12.0326 12.0326 13.9975 13.9975 14.4521 14.4521 k = 0.5000 0.2895 0.5959 ( 2894 PWs) bands (ev): -29.9046 -29.9046 -11.2305 -11.2305 -10.8763 -10.8763 -10.8323 -10.8323 -1.4222 -1.4222 -0.3982 -0.3982 5.3044 5.3044 5.7085 5.7085 6.0697 6.0697 6.8704 6.8704 7.5637 7.5637 8.3004 8.3004 8.5009 8.5009 8.5846 8.5846 8.7548 8.7548 9.1506 9.1506 9.3291 9.3291 10.0514 10.0514 10.2538 10.2538 10.6208 10.6208 10.8064 10.8064 12.0755 12.0755 13.9305 13.9305 14.4025 14.4025 k = 0.5000 0.2895 0.5778 ( 2894 PWs) bands (ev): -29.9048 -29.9048 -11.2296 -11.2296 -10.8747 -10.8747 -10.8324 -10.8324 -1.4252 -1.4252 -0.4461 -0.4461 5.3579 5.3579 5.6857 5.6857 6.1291 6.1291 6.8769 6.8769 7.5494 7.5494 8.2895 8.2895 8.4869 8.4869 8.6078 8.6078 8.7729 8.7729 9.1577 9.1577 9.3282 9.3282 10.1068 10.1068 10.2624 10.2624 10.6590 10.6590 10.8809 10.8809 12.1207 12.1207 13.8641 13.8641 14.3477 14.3477 k = 0.5000 0.2895 0.5598 ( 2898 PWs) bands (ev): -29.9050 -29.9050 -11.2287 -11.2287 -10.8731 -10.8731 -10.8326 -10.8326 -1.4288 -1.4288 -0.4936 -0.4936 5.4130 5.4130 5.6649 5.6649 6.1877 6.1877 6.8837 6.8837 7.5349 7.5349 8.2781 8.2781 8.4709 8.4709 8.6337 8.6337 8.7911 8.7911 9.1659 9.1659 9.3279 9.3279 10.1565 10.1565 10.2777 10.2777 10.6991 10.6991 10.9570 10.9570 12.1682 12.1682 13.7992 13.7992 14.2871 14.2871 k = 0.5000 0.2895 0.5417 ( 2898 PWs) bands (ev): -29.9052 -29.9052 -11.2277 -11.2277 -10.8714 -10.8714 -10.8327 -10.8327 -1.4330 -1.4330 -0.5405 -0.5405 5.4695 5.4695 5.6463 5.6463 6.2452 6.2452 6.8908 6.8908 7.5202 7.5202 8.2663 8.2663 8.4541 8.4541 8.6616 8.6616 8.8092 8.8092 9.1751 9.1751 9.3284 9.3284 10.1932 10.1932 10.3066 10.3066 10.7410 10.7410 11.0344 11.0344 12.2183 12.2183 13.7362 13.7362 14.2204 14.2204 k = 0.5000 0.2895 0.5237 ( 2894 PWs) bands (ev): -29.9054 -29.9054 -11.2267 -11.2267 -10.8697 -10.8697 -10.8328 -10.8328 -1.4379 -1.4379 -0.5868 -0.5868 5.5261 5.5261 5.6313 5.6313 6.3015 6.3015 6.8983 6.8983 7.5055 7.5055 8.2540 8.2540 8.4366 8.4366 8.6910 8.6910 8.8269 8.8269 9.1853 9.1853 9.3299 9.3299 10.2139 10.2139 10.3516 10.3516 10.7844 10.7844 11.1133 11.1133 12.2711 12.2711 13.6758 13.6758 14.1474 14.1474 k = 0.5000 0.2895 0.5056 ( 2898 PWs) bands (ev): -29.9056 -29.9056 -11.2258 -11.2258 -10.8680 -10.8680 -10.8329 -10.8329 -1.4435 -1.4435 -0.6323 -0.6323 5.5752 5.5752 5.6275 5.6275 6.3564 6.3564 6.9061 6.9061 7.4908 7.4908 8.2414 8.2414 8.4188 8.4188 8.7218 8.7218 8.8441 8.8441 9.1962 9.1962 9.3324 9.3324 10.2245 10.2245 10.4064 10.4064 10.8290 10.8290 11.1932 11.1932 12.3266 12.3266 13.6186 13.6186 14.0681 14.0681 k = 0.5000 0.2895 0.4876 ( 2894 PWs) bands (ev): -29.9058 -29.9058 -11.2248 -11.2248 -10.8662 -10.8662 -10.8330 -10.8330 -1.4496 -1.4496 -0.6768 -0.6768 5.5866 5.5866 5.6648 5.6648 6.4099 6.4099 6.9144 6.9144 7.4760 7.4760 8.2286 8.2286 8.4006 8.4006 8.7539 8.7539 8.8606 8.8606 9.2078 9.2078 9.3362 9.3362 10.2305 10.2305 10.4651 10.4651 10.8745 10.8745 11.2744 11.2744 12.3850 12.3850 13.5652 13.5652 13.9827 13.9827 k = 0.5000 0.2895 0.4695 ( 2894 PWs) bands (ev): -29.9060 -29.9060 -11.2238 -11.2238 -10.8644 -10.8644 -10.8331 -10.8331 -1.4564 -1.4564 -0.7204 -0.7204 5.5794 5.5794 5.7243 5.7243 6.4618 6.4618 6.9230 6.9230 7.4613 7.4613 8.2155 8.2155 8.3823 8.3823 8.7872 8.7872 8.8759 8.8759 9.2200 9.2200 9.3415 9.3415 10.2341 10.2341 10.5250 10.5250 10.9205 10.9205 11.3566 11.3566 12.4462 12.4462 13.5161 13.5161 13.8916 13.8916 k = 0.5000 0.2895 0.4514 ( 2898 PWs) bands (ev): -29.9062 -29.9062 -11.2228 -11.2228 -10.8626 -10.8626 -10.8333 -10.8333 -1.4638 -1.4638 -0.7629 -0.7629 5.5710 5.5710 5.7881 5.7881 6.5121 6.5121 6.9321 6.9321 7.4468 7.4468 8.2021 8.2021 8.3639 8.3639 8.8215 8.8215 8.8900 8.8900 9.2326 9.2326 9.3485 9.3485 10.2363 10.2363 10.5844 10.5844 10.9667 10.9667 11.4398 11.4398 12.5101 12.5101 13.4720 13.4720 13.7955 13.7955 k = 0.5000 0.2895 0.4334 ( 2896 PWs) bands (ev): -29.9064 -29.9064 -11.2218 -11.2218 -10.8607 -10.8607 -10.8333 -10.8333 -1.4716 -1.4716 -0.8042 -0.8042 5.5637 5.5637 5.8539 5.8539 6.5608 6.5608 6.9416 6.9416 7.4325 7.4325 8.1887 8.1887 8.3454 8.3454 8.8568 8.8568 8.9028 8.9028 9.2458 9.2458 9.3571 9.3571 10.2376 10.2376 10.6422 10.6422 11.0128 11.0128 11.5238 11.5238 12.5764 12.5764 13.4336 13.4336 13.6952 13.6952 k = 0.5000 0.2895 0.4153 ( 2894 PWs) bands (ev): -29.9066 -29.9066 -11.2208 -11.2208 -10.8589 -10.8589 -10.8334 -10.8334 -1.4800 -1.4800 -0.8443 -0.8443 5.5579 5.5579 5.9212 5.9212 6.6079 6.6079 6.9516 6.9516 7.4184 7.4184 8.1750 8.1750 8.3269 8.3269 8.8919 8.8919 8.9150 8.9150 9.2595 9.2595 9.3674 9.3674 10.2382 10.2382 10.6977 10.6977 11.0585 11.0585 11.6087 11.6087 12.6449 12.6449 13.4013 13.4013 13.5915 13.5915 k = 0.5000 0.2895 0.3973 ( 2890 PWs) bands (ev): -29.9068 -29.9068 -11.2198 -11.2198 -10.8570 -10.8570 -10.8334 -10.8334 -1.4887 -1.4887 -0.8831 -0.8831 5.5536 5.5536 5.9896 5.9896 6.6534 6.6534 6.9621 6.9621 7.4046 7.4046 8.1612 8.1612 8.3085 8.3085 8.9163 8.9163 8.9371 8.9371 9.2738 9.2738 9.3793 9.3793 10.2381 10.2381 10.7500 10.7500 11.1035 11.1035 11.6941 11.6941 12.7149 12.7149 13.3758 13.3758 13.4855 13.4855 k = 0.5000 0.2895 0.3792 ( 2882 PWs) bands (ev): -29.9070 -29.9070 -11.2188 -11.2188 -10.8552 -10.8552 -10.8335 -10.8335 -1.4979 -1.4979 -0.9205 -0.9205 5.5508 5.5508 6.0588 6.0588 6.6974 6.6974 6.9730 6.9730 7.3911 7.3911 8.1473 8.1473 8.2902 8.2902 8.9250 8.9250 8.9735 8.9735 9.2889 9.2889 9.3928 9.3928 10.2375 10.2375 10.7984 10.7984 11.1476 11.1476 11.7801 11.7801 12.7857 12.7857 13.3551 13.3551 13.3802 13.3802 k = 0.5000 0.2895 0.3612 ( 2892 PWs) bands (ev): -29.9072 -29.9072 -11.2179 -11.2179 -10.8534 -10.8534 -10.8336 -10.8336 -1.5073 -1.5073 -0.9565 -0.9565 5.5493 5.5493 6.1287 6.1287 6.7397 6.7397 6.9843 6.9843 7.3780 7.3780 8.1332 8.1332 8.2720 8.2720 8.9294 8.9294 9.0127 9.0127 9.3046 9.3046 9.4077 9.4077 10.2362 10.2362 10.8419 10.8419 11.1904 11.1904 11.8664 11.8664 12.8560 12.8560 13.2671 13.2671 13.3490 13.3490 k = 0.5000 0.2895 0.3431 ( 2904 PWs) bands (ev): -29.9073 -29.9073 -11.2170 -11.2170 -10.8517 -10.8517 -10.8336 -10.8336 -1.5170 -1.5170 -0.9910 -0.9910 5.5491 5.5491 6.1991 6.1991 6.7805 6.7805 6.9961 6.9961 7.3652 7.3652 8.1188 8.1188 8.2543 8.2543 8.9314 8.9314 9.0531 9.0531 9.3209 9.3209 9.4236 9.4236 10.2342 10.2342 10.8803 10.8803 11.2321 11.2321 11.9528 11.9528 12.9242 12.9242 13.1594 13.1594 13.3459 13.3459 k = 0.5000 0.2895 0.3250 ( 2896 PWs) bands (ev): -29.9075 -29.9075 -11.2161 -11.2161 -10.8499 -10.8499 -10.8336 -10.8336 -1.5268 -1.5268 -1.0240 -1.0240 5.5500 5.5500 6.2697 6.2697 6.8199 6.8199 7.0083 7.0083 7.3529 7.3529 8.1043 8.1043 8.2370 8.2370 8.9310 8.9310 9.0944 9.0944 9.3382 9.3382 9.4408 9.4408 10.2316 10.2316 10.9130 10.9130 11.2723 11.2723 12.0392 12.0392 12.9839 12.9839 13.0573 13.0573 13.3505 13.3505 k = 0.5000 0.2895 0.3070 ( 2888 PWs) bands (ev): -29.9077 -29.9077 -11.2151 -11.2151 -10.8481 -10.8481 -10.8336 -10.8336 -1.5367 -1.5367 -1.0554 -1.0554 5.5519 5.5519 6.3403 6.3403 6.8579 6.8579 7.0209 7.0209 7.3413 7.3413 8.0896 8.0896 8.2203 8.2203 8.9285 8.9285 9.1363 9.1363 9.3559 9.3559 9.4587 9.4587 10.2284 10.2284 10.9396 10.9396 11.3111 11.3111 12.1253 12.1253 12.9364 12.9364 13.0589 13.0589 13.3617 13.3617 k = 0.5000 0.2895 0.2889 ( 2886 PWs) bands (ev): -29.9078 -29.9078 -11.2143 -11.2143 -10.8465 -10.8465 -10.8336 -10.8336 -1.5465 -1.5465 -1.0852 -1.0852 5.5546 5.5546 6.4106 6.4106 6.8945 6.8945 7.0337 7.0337 7.3301 7.3301 8.0746 8.0746 8.2042 8.2042 8.9238 8.9238 9.1787 9.1787 9.3740 9.3740 9.4774 9.4774 10.2244 10.2244 10.9600 10.9600 11.3483 11.3483 12.2107 12.2107 12.8341 12.8341 13.1104 13.1104 13.3772 13.3772 k = 0.5000 0.2895 0.2709 ( 2890 PWs) bands (ev): -29.9080 -29.9080 -11.2135 -11.2135 -10.8449 -10.8449 -10.8337 -10.8337 -1.5563 -1.5563 -1.1134 -1.1134 5.5581 5.5581 6.4802 6.4802 6.9297 6.9297 7.0469 7.0469 7.3194 7.3194 8.0592 8.0592 8.1889 8.1889 8.9173 8.9173 9.2213 9.2213 9.3923 9.3923 9.4968 9.4968 10.2196 10.2196 10.9742 10.9742 11.3839 11.3839 12.2950 12.2950 12.7325 12.7325 13.1551 13.1551 13.3935 13.3935 k = 0.5000 0.2895 0.2528 ( 2890 PWs) bands (ev): -29.9081 -29.9081 -11.2127 -11.2127 -10.8433 -10.8433 -10.8337 -10.8337 -1.5659 -1.5659 -1.1399 -1.1399 5.5620 5.5620 6.5489 6.5489 6.9633 6.9633 7.0602 7.0602 7.3093 7.3093 8.0436 8.0436 8.1744 8.1744 8.9092 8.9092 9.2641 9.2641 9.4106 9.4106 9.5168 9.5168 10.2140 10.2140 10.9825 10.9825 11.4179 11.4179 12.3776 12.3776 12.6344 12.6344 13.1898 13.1898 13.4052 13.4052 k = 0.5000 0.2895 0.2347 ( 2886 PWs) bands (ev): -29.9083 -29.9083 -11.2119 -11.2119 -10.8418 -10.8418 -10.8336 -10.8336 -1.5753 -1.5753 -1.1646 -1.1646 5.5663 5.5663 6.6163 6.6163 6.9956 6.9956 7.0736 7.0736 7.2998 7.2998 8.0278 8.0278 8.1609 8.1609 8.8996 8.8996 9.3067 9.3067 9.4289 9.4289 9.5375 9.5375 10.2075 10.2075 10.9852 10.9852 11.4501 11.4501 12.4550 12.4550 12.5435 12.5435 13.2136 13.2136 13.4048 13.4048 k = 0.5000 0.2895 0.2167 ( 2882 PWs) bands (ev): -29.9084 -29.9084 -11.2112 -11.2112 -10.8404 -10.8404 -10.8336 -10.8336 -1.5843 -1.5843 -1.1876 -1.1876 5.5709 5.5709 6.6818 6.6818 7.0263 7.0263 7.0872 7.0872 7.2910 7.2910 8.0119 8.0119 8.1485 8.1485 8.8887 8.8887 9.3484 9.3484 9.4470 9.4470 9.5586 9.5586 10.2002 10.2002 10.9829 10.9829 11.4807 11.4807 12.4409 12.4409 12.5464 12.5464 13.2267 13.2267 13.3863 13.3863 k = 0.5000 0.2895 0.1986 ( 2894 PWs) bands (ev): -29.9085 -29.9085 -11.2106 -11.2106 -10.8391 -10.8391 -10.8336 -10.8336 -1.5930 -1.5930 -1.2089 -1.2089 5.5756 5.5756 6.7450 6.7450 7.0555 7.0555 7.1007 7.1007 7.2827 7.2827 7.9958 7.9958 8.1370 8.1370 8.8766 8.8766 9.3887 9.3887 9.4650 9.4650 9.5803 9.5803 10.1919 10.1919 10.9762 10.9762 11.5094 11.5094 12.3584 12.3584 12.6200 12.6200 13.2300 13.2300 13.3493 13.3493 k = 0.5000 0.2895 0.1806 ( 2888 PWs) bands (ev): -29.9087 -29.9087 -11.2100 -11.2100 -10.8379 -10.8379 -10.8336 -10.8336 -1.6011 -1.6011 -1.2284 -1.2284 5.5803 5.5803 6.8053 6.8053 7.0830 7.0830 7.1144 7.1144 7.2751 7.2751 7.9799 7.9799 8.1267 8.1267 8.8639 8.8639 9.4263 9.4263 9.4838 9.4838 9.6024 9.6024 10.1829 10.1829 10.9658 10.9658 11.5363 11.5363 12.2790 12.2790 12.6928 12.6928 13.2246 13.2246 13.2999 13.2999 k = 0.5000 0.2895 0.1625 ( 2886 PWs) bands (ev): -29.9088 -29.9088 -11.2094 -11.2094 -10.8367 -10.8367 -10.8336 -10.8336 -1.6087 -1.6087 -1.2461 -1.2461 5.5849 5.5849 6.8620 6.8620 7.1085 7.1085 7.1282 7.1282 7.2683 7.2683 7.9643 7.9643 8.1174 8.1174 8.8506 8.8506 9.4588 9.4588 9.5050 9.5050 9.6249 9.6249 10.1731 10.1731 10.9525 10.9525 11.5613 11.5613 12.2051 12.2051 12.7620 12.7620 13.2087 13.2087 13.2487 13.2487 k = 0.5000 0.2895 0.1445 ( 2882 PWs) bands (ev): -29.9088 -29.9088 -11.2089 -11.2089 -10.8357 -10.8357 -10.8335 -10.8335 -1.6157 -1.6157 -1.2620 -1.2620 5.5893 5.5893 6.9144 6.9144 7.1317 7.1317 7.1426 7.1426 7.2623 7.2623 7.9492 7.9492 8.1091 8.1091 8.8370 8.8370 9.4834 9.4834 9.5306 9.5306 9.6477 9.6477 10.1627 10.1627 10.9371 10.9371 11.5842 11.5842 12.1377 12.1377 12.8264 12.8264 13.1695 13.1695 13.2158 13.2158 k = 0.5000 0.2895 0.1264 ( 2882 PWs) bands (ev): -29.9089 -29.9089 -11.2085 -11.2085 -10.8348 -10.8348 -10.8335 -10.8335 -1.6220 -1.6220 -1.2760 -1.2760 5.5934 5.5934 6.9615 6.9615 7.1511 7.1511 7.1588 7.1588 7.2570 7.2570 7.9348 7.9348 8.1019 8.1019 8.8236 8.8236 9.5008 9.5008 9.5593 9.5593 9.6704 9.6704 10.1520 10.1520 10.9204 10.9204 11.6050 11.6050 12.0771 12.0771 12.8848 12.8848 13.1170 13.1170 13.1970 13.1970 k = 0.5000 0.2895 0.1083 ( 2882 PWs) bands (ev): -29.9090 -29.9090 -11.2081 -11.2081 -10.8339 -10.8339 -10.8335 -10.8335 -1.6276 -1.6276 -1.2882 -1.2882 5.5971 5.5971 7.0024 7.0024 7.1670 7.1670 7.1764 7.1764 7.2525 7.2525 7.9215 7.9215 8.0957 8.0957 8.8106 8.8106 9.5140 9.5140 9.5875 9.5875 9.6929 9.6929 10.1409 10.1409 10.9033 10.9033 11.6235 11.6235 12.0238 12.0238 12.9356 12.9356 13.0670 13.0670 13.1814 13.1814 k = 0.5000 0.2895 0.0903 ( 2886 PWs) bands (ev): -29.9091 -29.9091 -11.2077 -11.2077 -10.8335 -10.8335 -10.8333 -10.8333 -1.6324 -1.6324 -1.2985 -1.2985 5.6003 5.6003 7.0363 7.0363 7.1819 7.1819 7.1926 7.1926 7.2491 7.2491 7.9095 7.9095 8.0905 8.0905 8.7986 8.7986 9.5242 9.5242 9.6131 9.6131 9.7143 9.7143 10.1302 10.1302 10.8867 10.8867 11.6395 11.6395 11.9781 11.9781 12.9732 12.9732 13.0278 13.0278 13.1683 13.1683 k = 0.5000 0.2895 0.0722 ( 2890 PWs) bands (ev): -29.9091 -29.9091 -11.2075 -11.2075 -10.8335 -10.8335 -10.8327 -10.8327 -1.6364 -1.6364 -1.3070 -1.3070 5.6029 5.6029 7.0629 7.0629 7.1964 7.1964 7.2060 7.2060 7.2468 7.2468 7.8991 7.8991 8.0862 8.0862 8.7880 8.7880 9.5323 9.5323 9.6350 9.6350 9.7340 9.7340 10.1203 10.1203 10.8715 10.8715 11.6529 11.6529 11.9403 11.9403 12.9688 12.9688 13.0280 13.0280 13.1591 13.1591 k = 0.5000 0.2895 0.0542 ( 2898 PWs) bands (ev): -29.9092 -29.9092 -11.2073 -11.2073 -10.8335 -10.8335 -10.8323 -10.8323 -1.6395 -1.6395 -1.3136 -1.3136 5.6051 5.6051 7.0823 7.0823 7.2098 7.2098 7.2159 7.2159 7.2458 7.2458 7.8907 7.8907 8.0830 8.0830 8.7791 8.7791 9.5384 9.5384 9.6525 9.6525 9.7509 9.7509 10.1115 10.1115 10.8585 10.8585 11.6635 11.6635 11.9107 11.9107 12.9423 12.9423 13.0475 13.0475 13.1551 13.1551 k = 0.5000 0.2895 0.0361 ( 2892 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8320 -10.8320 -1.6418 -1.6418 -1.3183 -1.3183 5.6066 5.6066 7.0953 7.0953 7.2208 7.2208 7.2219 7.2219 7.2463 7.2463 7.8845 7.8845 8.0806 8.0806 8.7724 8.7724 9.5428 9.5428 9.6655 9.6655 9.7640 9.7640 10.1047 10.1047 10.8486 10.8486 11.6712 11.6712 11.8895 11.8895 12.9209 12.9209 13.0598 13.0598 13.1560 13.1560 k = 0.5000 0.2895 0.0181 ( 2904 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8318 -10.8318 -1.6431 -1.6431 -1.3211 -1.3211 5.6076 5.6076 7.1027 7.1027 7.2247 7.2247 7.2281 7.2281 7.2475 7.2475 7.8806 7.8806 8.0792 8.0792 8.7683 8.7683 9.5450 9.5450 9.6733 9.6733 9.7722 9.7722 10.1003 10.1003 10.8423 10.8423 11.6759 11.6759 11.8766 11.8766 12.9076 12.9076 13.0652 13.0652 13.1589 13.1589 k = 0.5000 0.2895-0.0000 ( 2908 PWs) bands (ev): -29.9092 -29.9092 -11.2071 -11.2071 -10.8335 -10.8335 -10.8318 -10.8318 -1.6436 -1.6436 -1.3221 -1.3221 5.6079 5.6079 7.1051 7.1051 7.2255 7.2255 7.2306 7.2306 7.2481 7.2481 7.8793 7.8793 8.0786 8.0786 8.7669 8.7669 9.5458 9.5458 9.6759 9.6759 9.7749 9.7749 10.0988 10.0988 10.8402 10.8402 11.6775 11.6775 11.8723 11.8723 12.9031 12.9031 13.0666 13.0666 13.1604 13.1604 k = 0.0000 0.0000 0.9979 ( 2868 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8296 -10.8296 -1.4349 -1.4349 0.3515 0.3515 4.6930 4.6930 5.0838 5.0838 6.2770 6.2770 6.7724 6.7724 7.7363 7.7363 8.2647 8.2647 8.4216 8.4216 8.5213 8.5213 8.7450 8.7450 9.2636 9.2636 9.3632 9.3632 9.3888 9.3888 9.6349 9.6349 10.2262 10.2262 10.3428 10.3428 11.5495 11.5495 14.4276 14.4276 14.9464 14.9464 k = 0.0156 0.0090 0.9979 ( 2864 PWs) bands (ev): -29.9022 -29.9022 -11.2410 -11.2410 -10.8944 -10.8944 -10.8296 -10.8296 -1.4349 -1.4349 0.3514 0.3514 4.6937 4.6937 5.0824 5.0824 6.2778 6.2778 6.7749 6.7749 7.7338 7.7338 8.2614 8.2614 8.4240 8.4240 8.5221 8.5221 8.7446 8.7446 9.2641 9.2641 9.3633 9.3633 9.3888 9.3888 9.6335 9.6335 10.2269 10.2269 10.3427 10.3427 11.5475 11.5475 14.4348 14.4348 14.9508 14.9508 k = 0.0312 0.0181 0.9979 ( 2864 PWs) bands (ev): -29.9022 -29.9022 -11.2410 -11.2410 -10.8944 -10.8944 -10.8296 -10.8296 -1.4348 -1.4348 0.3511 0.3511 4.6958 4.6958 5.0785 5.0785 6.2801 6.2801 6.7826 6.7826 7.7266 7.7266 8.2519 8.2519 8.4306 8.4306 8.5246 8.5246 8.7434 8.7434 9.2655 9.2655 9.3634 9.3634 9.3889 9.3889 9.6293 9.6293 10.2287 10.2287 10.3423 10.3423 11.5415 11.5415 14.4561 14.4561 14.9638 14.9638 k = 0.0469 0.0271 0.9979 ( 2876 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4347 -1.4347 0.3508 0.3508 4.6992 4.6992 5.0719 5.0719 6.2839 6.2839 6.7951 6.7951 7.7147 7.7147 8.2378 8.2378 8.4399 8.4399 8.5285 8.5285 8.7413 8.7413 9.2678 9.2678 9.3636 9.3636 9.3888 9.3888 9.6224 9.6224 10.2316 10.2316 10.3417 10.3417 11.5318 11.5318 14.4912 14.4912 14.9854 14.9854 k = 0.0625 0.0362 0.9979 ( 2888 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4345 -1.4345 0.3502 0.3502 4.7041 4.7041 5.0630 5.0630 6.2891 6.2891 6.8124 6.8124 7.6982 7.6982 8.2204 8.2204 8.4508 8.4508 8.5339 8.5339 8.7383 8.7383 9.2712 9.2712 9.3636 9.3636 9.3889 9.3889 9.6131 9.6131 10.2357 10.2357 10.3407 10.3407 11.5191 11.5191 14.5392 14.5392 15.0152 15.0152 k = 0.0781 0.0452 0.9979 ( 2890 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4343 -1.4343 0.3496 0.3496 4.7103 4.7103 5.0519 5.0519 6.2954 6.2954 6.8341 6.8341 7.6775 7.6775 8.2012 8.2012 8.4623 8.4623 8.5405 8.5405 8.7346 8.7346 9.2754 9.2754 9.3638 9.3638 9.3892 9.3892 9.6018 9.6018 10.2406 10.2406 10.3395 10.3395 11.5039 11.5039 14.5991 14.5991 15.0528 15.0528 k = 0.0938 0.0543 0.9979 ( 2892 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8298 -10.8298 -1.4341 -1.4341 0.3489 0.3489 4.7179 4.7179 5.0388 5.0388 6.3027 6.3027 6.8600 6.8600 7.6529 7.6529 8.1810 8.1810 8.4737 8.4737 8.5480 8.5480 8.7302 8.7302 9.2804 9.2804 9.3640 9.3640 9.3895 9.3895 9.5888 9.5888 10.2460 10.2460 10.3381 10.3381 11.4870 11.4870 14.6698 14.6698 15.0975 15.0975 k = 0.1094 0.0633 0.9979 ( 2896 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8298 -10.8298 -1.4338 -1.4338 0.3481 0.3481 4.7268 4.7268 5.0241 5.0241 6.3107 6.3107 6.8896 6.8896 7.6246 7.6246 8.1604 8.1604 8.4847 8.4847 8.5563 8.5563 8.7253 8.7253 9.2862 9.2862 9.3642 9.3642 9.3899 9.3899 9.5743 9.5743 10.2519 10.2519 10.3365 10.3365 11.4692 11.4692 14.7496 14.7496 15.1488 15.1488 k = 0.1250 0.0724 0.9979 ( 2892 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8297 -10.8297 -1.4335 -1.4335 0.3473 0.3473 4.7369 4.7369 5.0079 5.0079 6.3192 6.3192 6.9227 6.9227 7.5929 7.5929 8.1401 8.1401 8.4949 8.4949 8.5653 8.5653 8.7196 8.7196 9.2927 9.2927 9.3646 9.3646 9.3907 9.3907 9.5589 9.5589 10.2581 10.2581 10.3346 10.3346 11.4511 11.4511 14.8370 14.8370 15.2057 15.2057 k = 0.1406 0.0814 0.9979 ( 2886 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8297 -10.8297 -1.4332 -1.4332 0.3465 0.3465 4.7483 4.7483 4.9906 4.9906 6.3278 6.3278 6.9587 6.9587 7.5583 7.5583 8.1207 8.1207 8.5043 8.5043 8.5747 8.5747 8.7133 8.7133 9.2996 9.2996 9.3648 9.3648 9.3919 9.3919 9.5428 9.5428 10.2644 10.2644 10.3324 10.3324 11.4335 11.4335 14.9300 14.9300 15.2673 15.2673 k = 0.1562 0.0905 0.9979 ( 2886 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8297 -10.8297 -1.4330 -1.4330 0.3458 0.3458 4.7608 4.7608 4.9725 4.9725 6.3362 6.3362 6.9974 6.9974 7.5211 7.5211 8.1026 8.1026 8.5127 8.5127 8.5843 8.5843 8.7064 8.7064 9.3068 9.3068 9.3650 9.3650 9.3936 9.3936 9.5264 9.5264 10.2706 10.2706 10.3300 10.3300 11.4170 11.4170 15.0259 15.0259 15.3324 15.3324 k = 0.1719 0.0995 0.9979 ( 2886 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8297 -10.8297 -1.4327 -1.4327 0.3450 0.3450 4.7745 4.7745 4.9537 4.9537 6.3441 6.3441 7.0382 7.0382 7.4815 7.4815 8.0863 8.0863 8.5198 8.5198 8.5939 8.5939 8.6992 8.6992 9.3139 9.3139 9.3652 9.3652 9.3960 9.3960 9.5101 9.5101 10.2766 10.2766 10.3273 10.3273 11.4022 11.4022 15.1218 15.1218 15.3999 15.3999 k = 0.1875 0.1086 0.9979 ( 2894 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8297 -10.8297 -1.4325 -1.4325 0.3444 0.3444 4.7891 4.7891 4.9347 4.9347 6.3510 6.3510 7.0808 7.0808 7.4400 7.4400 8.0723 8.0723 8.5257 8.5257 8.6034 8.6034 8.6917 8.6917 9.3207 9.3207 9.3652 9.3652 9.3994 9.3994 9.4941 9.4941 10.2823 10.2823 10.3245 10.3245 11.3894 11.3894 15.2129 15.2129 15.4683 15.4683 k = 0.2031 0.1176 0.9979 ( 2894 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8945 -10.8945 -10.8297 -10.8297 -1.4323 -1.4323 0.3439 0.3439 4.8047 4.8047 4.9155 4.9155 6.3568 6.3568 7.1248 7.1248 7.3969 7.3969 8.0610 8.0610 8.5304 8.5304 8.6125 8.6125 8.6842 8.6842 9.3266 9.3266 9.3653 9.3653 9.4039 9.4039 9.4790 9.4790 10.2875 10.2875 10.3216 10.3216 11.3791 11.3791 15.2931 15.2931 15.5363 15.5398 k = 0.2188 0.1266 0.9979 ( 2882 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4322 -1.4322 0.3435 0.3435 4.8209 4.8209 4.8966 4.8966 6.3611 6.3611 7.1698 7.1698 7.3527 7.3527 8.0527 8.0527 8.5339 8.5339 8.6208 8.6208 8.6771 8.6771 9.3313 9.3313 9.3653 9.3653 9.4097 9.4097 9.4653 9.4653 10.2919 10.2919 10.3188 10.3188 11.3716 11.3716 15.3544 15.3544 15.5517 15.5517 k = 0.2344 0.1357 0.9979 ( 2886 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4321 -1.4321 0.3433 0.3433 4.8372 4.8372 4.8787 4.8787 6.3638 6.3638 7.2153 7.2153 7.3076 7.3076 8.0477 8.0477 8.5359 8.5359 8.6272 8.6272 8.6714 8.6714 9.3342 9.3342 9.3652 9.3652 9.4156 9.4156 9.4544 9.4544 10.2950 10.2950 10.3167 10.3167 11.3670 11.3670 15.3907 15.3907 15.5663 15.5663 k = 0.2500 0.1447 0.9979 ( 2888 PWs) bands (ev): -29.9022 -29.9022 -11.2411 -11.2411 -10.8944 -10.8944 -10.8297 -10.8297 -1.4321 -1.4321 0.3432 0.3432 4.8480 4.8480 4.8674 4.8674 6.3647 6.3647 7.2565 7.2565 7.2666 7.2666 8.0460 8.0460 8.5365 8.5365 8.6299 8.6299 8.6689 8.6689 9.3352 9.3352 9.3651 9.3651 9.4187 9.4187 9.4496 9.4496 10.2959 10.2959 10.3161 10.3161 11.3654 11.3654 15.4024 15.4024 15.5729 15.5729 Writing output data file CaxNiAsx2.save init_run : 0.28s CPU 0.43s WALL ( 1 calls) electrons : 233.52s CPU 236.85s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 233.51s CPU 236.84s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 358 calls) cegterg : 216.10s CPU 218.83s WALL ( 722 calls) Called by sum_band: Called by *egterg: h_psi : 136.09s CPU 138.35s WALL ( 11810 calls) s_psi : 5.79s CPU 5.81s WALL ( 11810 calls) g_psi : 0.21s CPU 0.23s WALL ( 10730 calls) cdiaghg : 70.54s CPU 71.37s WALL ( 11088 calls) cegterg:over : 5.94s CPU 6.08s WALL ( 10730 calls) cegterg:upda : 4.85s CPU 4.65s WALL ( 10730 calls) cegterg:last : 2.82s CPU 2.77s WALL ( 1928 calls) cdiaghg:chol : 3.74s CPU 3.88s WALL ( 11088 calls) cdiaghg:inve : 2.66s CPU 2.63s WALL ( 11088 calls) cdiaghg:para : 4.14s CPU 4.09s WALL ( 22176 calls) Called by h_psi: h_psi:vloc : 123.20s CPU 125.30s WALL ( 11810 calls) h_psi:vnl : 12.69s CPU 12.85s WALL ( 11810 calls) add_vuspsi : 6.44s CPU 6.66s WALL ( 11810 calls) General routines calbec : 6.19s CPU 6.16s WALL ( 11810 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 115.70s CPU 117.35s WALL ( 1107492 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.18s CPU 0.23s WALL ( 716 calls) Parallel routines fft_scatter : 40.61s CPU 41.22s WALL ( 1107515 calls) PWSCF : 4m 7.94s CPU 4m34.14s WALL This run was terminated on: 19:49: 2 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=