Program PWSCF v.5.1.1 starts on 18Jul2015 at 22:26:16 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./GaSe.save/ file Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 42 31 9 853 529 87 Max 43 32 10 856 541 89 Sum 2059 1499 447 41049 25713 4211 bravais-lattice index = 14 lattice parameter (alat) = 15.6061 a.u. unit-cell volume = 653.9622 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 240.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 15.606076 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.897069 celldm(5)= 0.897069 celldm(6)= 0.897069 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.897069 0.441891 0.000000 ) a(3) = ( 0.897069 0.208958 0.389364 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.030067 -1.214469 ) b(2) = ( 0.000000 2.263001 -1.214469 ) b(3) = ( 0.000000 0.000000 2.568289 ) PseudoPot. # 1 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ga read from file: /home/autes/Pseudo/Ga.rel-pbe-dnl-rrkjus_psl.1.0.0.UPF MD5 check sum: a45069c11dc40ba088a6a50723da268c Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1205 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Ga 13.00 69.72300 Ga( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 315 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0102041 -0.0207150 -0.0123925), wk = 0.0031746 k( 3) = ( 0.0204082 -0.0414299 -0.0247851), wk = 0.0031746 k( 4) = ( 0.0306122 -0.0621449 -0.0371776), wk = 0.0031746 k( 5) = ( 0.0408163 -0.0828599 -0.0495702), wk = 0.0031746 k( 6) = ( 0.0510204 -0.1035748 -0.0619627), wk = 0.0031746 k( 7) = ( 0.0612245 -0.1242898 -0.0743553), wk = 0.0031746 k( 8) = ( 0.0714286 -0.1450048 -0.0867478), wk = 0.0031746 k( 9) = ( 0.0816327 -0.1657197 -0.0991403), wk = 0.0031746 k( 10) = ( 0.0918367 -0.1864347 -0.1115329), wk = 0.0031746 k( 11) = ( 0.1020408 -0.2071497 -0.1239254), wk = 0.0031746 k( 12) = ( 0.1122449 -0.2278647 -0.1363180), wk = 0.0031746 k( 13) = ( 0.1224490 -0.2485796 -0.1487105), wk = 0.0031746 k( 14) = ( 0.1326531 -0.2692946 -0.1611030), wk = 0.0031746 k( 15) = ( 0.1428571 -0.2900096 -0.1734956), wk = 0.0031746 k( 16) = ( 0.1530612 -0.3107245 -0.1858881), wk = 0.0031746 k( 17) = ( 0.1632653 -0.3314395 -0.1982807), wk = 0.0031746 k( 18) = ( 0.1734694 -0.3521545 -0.2106732), wk = 0.0031746 k( 19) = ( 0.1836735 -0.3728694 -0.2230658), wk = 0.0031746 k( 20) = ( 0.1938776 -0.3935844 -0.2354583), wk = 0.0031746 k( 21) = ( 0.2040816 -0.4142994 -0.2478508), wk = 0.0031746 k( 22) = ( 0.2142857 -0.4350143 -0.2602434), wk = 0.0031746 k( 23) = ( 0.2244898 -0.4557293 -0.2726359), wk = 0.0031746 k( 24) = ( 0.2346939 -0.4764443 -0.2850285), wk = 0.0031746 k( 25) = ( 0.2448980 -0.4971593 -0.2974210), wk = 0.0031746 k( 26) = ( 0.2551020 -0.5178742 -0.3098136), wk = 0.0031746 k( 27) = ( 0.2653061 -0.5385892 -0.3222061), wk = 0.0031746 k( 28) = ( 0.2755102 -0.5593041 -0.3345986), wk = 0.0031746 k( 29) = ( 0.2857143 -0.5800191 -0.3469912), wk = 0.0031746 k( 30) = ( 0.2959184 -0.6007341 -0.3593837), wk = 0.0031746 k( 31) = ( 0.3061224 -0.6214491 -0.3717763), wk = 0.0031746 k( 32) = ( 0.3163265 -0.6421640 -0.3841688), wk = 0.0031746 k( 33) = ( 0.3265306 -0.6628790 -0.3965614), wk = 0.0031746 k( 34) = ( 0.3367347 -0.6835940 -0.4089539), wk = 0.0031746 k( 35) = ( 0.3469388 -0.7043089 -0.4213464), wk = 0.0031746 k( 36) = ( 0.3571429 -0.7250239 -0.4337390), wk = 0.0031746 k( 37) = ( 0.3673469 -0.7457389 -0.4461315), wk = 0.0031746 k( 38) = ( 0.3775510 -0.7664538 -0.4585241), wk = 0.0031746 k( 39) = ( 0.3877551 -0.7871688 -0.4709166), wk = 0.0031746 k( 40) = ( 0.3979592 -0.8078838 -0.4833091), wk = 0.0031746 k( 41) = ( 0.4081633 -0.8285988 -0.4957017), wk = 0.0031746 k( 42) = ( 0.4183674 -0.8493137 -0.5080942), wk = 0.0031746 k( 43) = ( 0.4285714 -0.8700287 -0.5204868), wk = 0.0031746 k( 44) = ( 0.4387755 -0.8907437 -0.5328793), wk = 0.0031746 k( 45) = ( 0.4489796 -0.9114586 -0.5452719), wk = 0.0031746 k( 46) = ( 0.4591837 -0.9321736 -0.5576644), wk = 0.0031746 k( 47) = ( 0.4693878 -0.9528886 -0.5700570), wk = 0.0031746 k( 48) = ( 0.4795918 -0.9736035 -0.5824495), wk = 0.0031746 k( 49) = ( 0.4897959 -0.9943185 -0.5948420), wk = 0.0031746 k( 50) = ( 0.5000000 -1.0150335 -0.6072346), wk = 0.0031746 k( 51) = ( 0.5000000 -1.0150335 -0.6072346), wk = 0.0031746 k( 52) = ( 0.5000000 -1.0019704 -0.6290704), wk = 0.0031746 k( 53) = ( 0.5000000 -0.9889073 -0.6509062), wk = 0.0031746 k( 54) = ( 0.5000000 -0.9758443 -0.6727420), wk = 0.0031746 k( 55) = ( 0.5000000 -0.9627812 -0.6945778), wk = 0.0031746 k( 56) = ( 0.5000000 -0.9497181 -0.7164136), wk = 0.0031746 k( 57) = ( 0.5000000 -0.9366551 -0.7382494), wk = 0.0031746 k( 58) = ( 0.5000000 -0.9235920 -0.7600852), wk = 0.0031746 k( 59) = ( 0.5000000 -0.9105289 -0.7819210), wk = 0.0031746 k( 60) = ( 0.5000000 -0.8974658 -0.8037568), wk = 0.0031746 k( 61) = ( 0.5000000 -0.8844028 -0.8255926), wk = 0.0031746 k( 62) = ( 0.5000000 -0.8713397 -0.8474284), wk = 0.0031746 k( 63) = ( 0.5000000 -0.8582766 -0.8692642), wk = 0.0031746 k( 64) = ( 0.5000000 -0.8452136 -0.8911000), wk = 0.0031746 k( 65) = ( 0.5000000 -0.8321505 -0.9129358), wk = 0.0031746 k( 66) = ( 0.5000000 -0.8190874 -0.9347716), wk = 0.0031746 k( 67) = ( 0.5000000 -0.8060244 -0.9566074), wk = 0.0031746 k( 68) = ( 0.5000000 -0.7929613 -0.9784432), wk = 0.0031746 k( 69) = ( 0.5000000 -0.7798982 -1.0002790), wk = 0.0031746 k( 70) = ( 0.5000000 -0.7668351 -1.0221148), wk = 0.0031746 k( 71) = ( 0.5000000 -0.7537721 -1.0439506), wk = 0.0031746 k( 72) = ( 0.5000000 -0.7407090 -1.0657864), wk = 0.0031746 k( 73) = ( 0.5000000 -0.7276459 -1.0876222), wk = 0.0031746 k( 74) = ( 0.5000000 -0.7145829 -1.1094580), wk = 0.0031746 k( 75) = ( 0.5000000 -0.7015198 -1.1312938), wk = 0.0031746 k( 76) = ( 0.5000000 -0.6884567 -1.1531296), wk = 0.0031746 k( 77) = ( 0.5000000 -0.6753937 -1.1749654), wk = 0.0031746 k( 78) = ( 0.5000000 -0.6623306 -1.1968012), wk = 0.0031746 k( 79) = ( 0.5000000 -0.6492675 -1.2186370), wk = 0.0031746 k( 80) = ( 0.5000000 -0.6362045 -1.2404728), wk = 0.0031746 k( 81) = ( 0.5000000 -0.6231414 -1.2623086), wk = 0.0031746 k( 82) = ( 0.5000000 -0.6100783 -1.2841444), wk = 0.0031746 k( 83) = ( 0.8210539 -0.5352941 -1.1447939), wk = 0.0031746 k( 84) = ( 0.8151084 -0.5232244 -1.1223037), wk = 0.0031746 k( 85) = ( 0.8091630 -0.5111548 -1.0998136), wk = 0.0031746 k( 86) = ( 0.8032176 -0.4990851 -1.0773234), wk = 0.0031746 k( 87) = ( 0.7972721 -0.4870155 -1.0548332), wk = 0.0031746 k( 88) = ( 0.7913267 -0.4749458 -1.0323431), wk = 0.0031746 k( 89) = ( 0.7853812 -0.4628762 -1.0098529), wk = 0.0031746 k( 90) = ( 0.7794358 -0.4508065 -0.9873627), wk = 0.0031746 k( 91) = ( 0.7734903 -0.4387369 -0.9648726), wk = 0.0031746 k( 92) = ( 0.7675449 -0.4266672 -0.9423824), wk = 0.0031746 k( 93) = ( 0.7615995 -0.4145976 -0.9198922), wk = 0.0031746 k( 94) = ( 0.7556540 -0.4025280 -0.8974021), wk = 0.0031746 k( 95) = ( 0.7497086 -0.3904583 -0.8749119), wk = 0.0031746 k( 96) = ( 0.7437631 -0.3783887 -0.8524217), wk = 0.0031746 k( 97) = ( 0.7378177 -0.3663190 -0.8299316), wk = 0.0031746 k( 98) = ( 0.7318723 -0.3542494 -0.8074414), wk = 0.0031746 k( 99) = ( 0.7259268 -0.3421797 -0.7849512), wk = 0.0031746 k( 100) = ( 0.7199814 -0.3301101 -0.7624610), wk = 0.0031746 k( 101) = ( 0.7140359 -0.3180404 -0.7399709), wk = 0.0031746 k( 102) = ( 0.7080905 -0.3059708 -0.7174807), wk = 0.0031746 k( 103) = ( 0.7021450 -0.2939011 -0.6949905), wk = 0.0031746 k( 104) = ( 0.6961996 -0.2818315 -0.6725004), wk = 0.0031746 k( 105) = ( 0.6902542 -0.2697618 -0.6500102), wk = 0.0031746 k( 106) = ( 0.6843087 -0.2576922 -0.6275200), wk = 0.0031746 k( 107) = ( 0.6783633 -0.2456225 -0.6050298), wk = 0.0031746 k( 108) = ( 0.6724178 -0.2335529 -0.5825397), wk = 0.0031746 k( 109) = ( 0.6664724 -0.2214833 -0.5600495), wk = 0.0031746 k( 110) = ( 0.6605269 -0.2094136 -0.5375594), wk = 0.0031746 k( 111) = ( 0.6545815 -0.1973440 -0.5150692), wk = 0.0031746 k( 112) = ( 0.6486361 -0.1852743 -0.4925790), wk = 0.0031746 k( 113) = ( 0.6426906 -0.1732047 -0.4700888), wk = 0.0031746 k( 114) = ( 0.6367452 -0.1611350 -0.4475987), wk = 0.0031746 k( 115) = ( 0.6307997 -0.1490654 -0.4251085), wk = 0.0031746 k( 116) = ( 0.6248543 -0.1369957 -0.4026183), wk = 0.0031746 k( 117) = ( 0.6189088 -0.1249261 -0.3801282), wk = 0.0031746 k( 118) = ( 0.6129634 -0.1128564 -0.3576380), wk = 0.0031746 k( 119) = ( 0.6070180 -0.1007868 -0.3351478), wk = 0.0031746 k( 120) = ( 0.6010725 -0.0887171 -0.3126576), wk = 0.0031746 k( 121) = ( 0.5951271 -0.0766475 -0.2901675), wk = 0.0031746 k( 122) = ( 0.5891816 -0.0645779 -0.2676773), wk = 0.0031746 k( 123) = ( 0.5832362 -0.0525082 -0.2451871), wk = 0.0031746 k( 124) = ( 0.5772907 -0.0404386 -0.2226970), wk = 0.0031746 k( 125) = ( 0.5713453 -0.0283689 -0.2002068), wk = 0.0031746 k( 126) = ( 0.5653999 -0.0162993 -0.1777166), wk = 0.0031746 k( 127) = ( 0.5594544 -0.0042296 -0.1552264), wk = 0.0031746 k( 128) = ( 0.5535090 0.0078400 -0.1327363), wk = 0.0031746 k( 129) = ( 0.5475635 0.0199097 -0.1102461), wk = 0.0031746 k( 130) = ( 0.5416181 0.0319793 -0.0877560), wk = 0.0031746 k( 131) = ( 0.5356726 0.0440490 -0.0652658), wk = 0.0031746 k( 132) = ( 0.5297272 0.0561186 -0.0427756), wk = 0.0031746 k( 133) = ( 0.5237818 0.0681883 -0.0202854), wk = 0.0031746 k( 134) = ( 0.5178363 0.0802579 0.0022047), wk = 0.0031746 k( 135) = ( 0.5118909 0.0923276 0.0246949), wk = 0.0031746 k( 136) = ( 0.5059454 0.1043972 0.0471851), wk = 0.0031746 k( 137) = ( 0.5000000 0.1164668 0.0696752), wk = 0.0031746 k( 138) = ( 0.5000000 0.1164668 0.0696752), wk = 0.0031746 k( 139) = ( 0.4750000 0.1106435 0.0661915), wk = 0.0031746 k( 140) = ( 0.4500000 0.1048202 0.0627077), wk = 0.0031746 k( 141) = ( 0.4250000 0.0989968 0.0592239), wk = 0.0031746 k( 142) = ( 0.4000000 0.0931735 0.0557402), wk = 0.0031746 k( 143) = ( 0.3750000 0.0873501 0.0522564), wk = 0.0031746 k( 144) = ( 0.3500000 0.0815268 0.0487727), wk = 0.0031746 k( 145) = ( 0.3250000 0.0757034 0.0452889), wk = 0.0031746 k( 146) = ( 0.3000000 0.0698801 0.0418051), wk = 0.0031746 k( 147) = ( 0.2750000 0.0640568 0.0383214), wk = 0.0031746 k( 148) = ( 0.2500000 0.0582334 0.0348376), wk = 0.0031746 k( 149) = ( 0.2250000 0.0524101 0.0313539), wk = 0.0031746 k( 150) = ( 0.2000000 0.0465867 0.0278701), wk = 0.0031746 k( 151) = ( 0.1750000 0.0407634 0.0243863), wk = 0.0031746 k( 152) = ( 0.1500000 0.0349401 0.0209026), wk = 0.0031746 k( 153) = ( 0.1250000 0.0291167 0.0174188), wk = 0.0031746 k( 154) = ( 0.1000000 0.0232934 0.0139350), wk = 0.0031746 k( 155) = ( 0.0750000 0.0174700 0.0104513), wk = 0.0031746 k( 156) = ( 0.0500000 0.0116467 0.0069675), wk = 0.0031746 k( 157) = ( 0.0250000 0.0058233 0.0034838), wk = 0.0031746 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 160) = ( 0.0059557 -0.0120904 -0.0225289), wk = 0.0031746 k( 161) = ( 0.0119113 -0.0241808 -0.0450577), wk = 0.0031746 k( 162) = ( 0.0178670 -0.0362712 -0.0675865), wk = 0.0031746 k( 163) = ( 0.0238227 -0.0483616 -0.0901154), wk = 0.0031746 k( 164) = ( 0.0297783 -0.0604520 -0.1126443), wk = 0.0031746 k( 165) = ( 0.0357340 -0.0725424 -0.1351731), wk = 0.0031746 k( 166) = ( 0.0416897 -0.0846328 -0.1577019), wk = 0.0031746 k( 167) = ( 0.0476453 -0.0967232 -0.1802308), wk = 0.0031746 k( 168) = ( 0.0536010 -0.1088136 -0.2027596), wk = 0.0031746 k( 169) = ( 0.0595567 -0.1209040 -0.2252885), wk = 0.0031746 k( 170) = ( 0.0655123 -0.1329944 -0.2478173), wk = 0.0031746 k( 171) = ( 0.0714680 -0.1450848 -0.2703462), wk = 0.0031746 k( 172) = ( 0.0774237 -0.1571753 -0.2928750), wk = 0.0031746 k( 173) = ( 0.0833794 -0.1692657 -0.3154039), wk = 0.0031746 k( 174) = ( 0.0893350 -0.1813561 -0.3379327), wk = 0.0031746 k( 175) = ( 0.0952907 -0.1934465 -0.3604616), wk = 0.0031746 k( 176) = ( 0.1012463 -0.2055369 -0.3829904), wk = 0.0031746 k( 177) = ( 0.1072020 -0.2176273 -0.4055193), wk = 0.0031746 k( 178) = ( 0.1131577 -0.2297177 -0.4280481), wk = 0.0031746 k( 179) = ( 0.1191134 -0.2418081 -0.4505770), wk = 0.0031746 k( 180) = ( 0.1250690 -0.2538985 -0.4731058), wk = 0.0031746 k( 181) = ( 0.1310247 -0.2659889 -0.4956347), wk = 0.0031746 k( 182) = ( 0.1369804 -0.2780793 -0.5181635), wk = 0.0031746 k( 183) = ( 0.1429360 -0.2901697 -0.5406924), wk = 0.0031746 k( 184) = ( 0.1488917 -0.3022601 -0.5632212), wk = 0.0031746 k( 185) = ( 0.1548474 -0.3143505 -0.5857501), wk = 0.0031746 k( 186) = ( 0.1608030 -0.3264409 -0.6082789), wk = 0.0031746 k( 187) = ( 0.1667587 -0.3385313 -0.6308078), wk = 0.0031746 k( 188) = ( 0.1727144 -0.3506217 -0.6533366), wk = 0.0031746 k( 189) = ( 0.1786700 -0.3627121 -0.6758655), wk = 0.0031746 k( 190) = ( 0.1846257 -0.3748025 -0.6983943), wk = 0.0031746 k( 191) = ( 0.1905814 -0.3868929 -0.7209231), wk = 0.0031746 k( 192) = ( 0.1965370 -0.3989833 -0.7434520), wk = 0.0031746 k( 193) = ( 0.2024927 -0.4110737 -0.7659809), wk = 0.0031746 k( 194) = ( 0.2084484 -0.4231641 -0.7885097), wk = 0.0031746 k( 195) = ( 0.2144040 -0.4352545 -0.8110385), wk = 0.0031746 k( 196) = ( 0.2203597 -0.4473449 -0.8335674), wk = 0.0031746 k( 197) = ( 0.2263154 -0.4594354 -0.8560963), wk = 0.0031746 k( 198) = ( 0.2322710 -0.4715258 -0.8786251), wk = 0.0031746 k( 199) = ( 0.2382267 -0.4836161 -0.9011539), wk = 0.0031746 k( 200) = ( 0.2441824 -0.4957066 -0.9236828), wk = 0.0031746 k( 201) = ( 0.2501380 -0.5077970 -0.9462116), wk = 0.0031746 k( 202) = ( 0.2560937 -0.5198874 -0.9687405), wk = 0.0031746 k( 203) = ( 0.2620494 -0.5319778 -0.9912693), wk = 0.0031746 k( 204) = ( 0.2680050 -0.5440682 -1.0137982), wk = 0.0031746 k( 205) = ( 0.2739607 -0.5561586 -1.0363270), wk = 0.0031746 k( 206) = ( 0.2799164 -0.5682490 -1.0588559), wk = 0.0031746 k( 207) = ( 0.2858720 -0.5803394 -1.0813848), wk = 0.0031746 k( 208) = ( 0.2918277 -0.5924298 -1.1039136), wk = 0.0031746 k( 209) = ( 0.2977834 -0.6045202 -1.1264424), wk = 0.0031746 k( 210) = ( 0.3037391 -0.6166106 -1.1489713), wk = 0.0031746 k( 211) = ( 0.3096947 -0.6287010 -1.1715001), wk = 0.0031746 k( 212) = ( 0.3156504 -0.6407914 -1.1940290), wk = 0.0031746 k( 213) = ( 0.3216060 -0.6528818 -1.2165578), wk = 0.0031746 k( 214) = ( 0.3275617 -0.6649722 -1.2390867), wk = 0.0031746 k( 215) = ( 0.3335174 -0.6770626 -1.2616155), wk = 0.0031746 k( 216) = ( 0.3394730 -0.6891530 -1.2841444), wk = 0.0031746 k( 217) = ( 0.6605269 -0.5726862 -1.2144691), wk = 0.0031746 k( 218) = ( 0.6545815 -0.5471620 -1.2144691), wk = 0.0031746 k( 219) = ( 0.6486361 -0.5216378 -1.2144691), wk = 0.0031746 k( 220) = ( 0.6426906 -0.4961136 -1.2144691), wk = 0.0031746 k( 221) = ( 0.6367452 -0.4705895 -1.2144691), wk = 0.0031746 k( 222) = ( 0.6307997 -0.4450652 -1.2144691), wk = 0.0031746 k( 223) = ( 0.6248543 -0.4195411 -1.2144691), wk = 0.0031746 k( 224) = ( 0.6189088 -0.3940169 -1.2144691), wk = 0.0031746 k( 225) = ( 0.6129634 -0.3684927 -1.2144691), wk = 0.0031746 k( 226) = ( 0.6070180 -0.3429685 -1.2144691), wk = 0.0031746 k( 227) = ( 0.6010725 -0.3174443 -1.2144691), wk = 0.0031746 k( 228) = ( 0.5951271 -0.2919201 -1.2144691), wk = 0.0031746 k( 229) = ( 0.5891816 -0.2663960 -1.2144691), wk = 0.0031746 k( 230) = ( 0.5832362 -0.2408718 -1.2144691), wk = 0.0031746 k( 231) = ( 0.5772907 -0.2153476 -1.2144691), wk = 0.0031746 k( 232) = ( 0.5713453 -0.1898234 -1.2144691), wk = 0.0031746 k( 233) = ( 0.5653999 -0.1642992 -1.2144691), wk = 0.0031746 k( 234) = ( 0.5594544 -0.1387750 -1.2144691), wk = 0.0031746 k( 235) = ( 0.5535090 -0.1132508 -1.2144691), wk = 0.0031746 k( 236) = ( 0.5475635 -0.0877267 -1.2144691), wk = 0.0031746 k( 237) = ( 0.5416181 -0.0622025 -1.2144691), wk = 0.0031746 k( 238) = ( 0.5356726 -0.0366783 -1.2144691), wk = 0.0031746 k( 239) = ( 0.5297272 -0.0111541 -1.2144691), wk = 0.0031746 k( 240) = ( 0.5237818 0.0143701 -1.2144691), wk = 0.0031746 k( 241) = ( 0.5178363 0.0398943 -1.2144691), wk = 0.0031746 k( 242) = ( 0.5118909 0.0654185 -1.2144691), wk = 0.0031746 k( 243) = ( 0.5059454 0.0909427 -1.2144691), wk = 0.0031746 k( 244) = ( 0.5000000 0.1164668 -1.2144691), wk = 0.0031746 k( 245) = ( 0.5000000 0.1164668 -1.2144691), wk = 0.0031746 k( 246) = ( 0.5229324 0.1218086 -1.2045155), wk = 0.0031746 k( 247) = ( 0.5458648 0.1271503 -1.1945619), wk = 0.0031746 k( 248) = ( 0.5687973 0.1324920 -1.1846083), wk = 0.0031746 k( 249) = ( 0.5917297 0.1378338 -1.1746547), wk = 0.0031746 k( 250) = ( 0.6146621 0.1431755 -1.1647011), wk = 0.0031746 k( 251) = ( 0.6375945 0.1485172 -1.1547475), wk = 0.0031746 k( 252) = ( 0.6605269 0.1538590 -1.1447939), wk = 0.0031746 k( 253) = ( 0.6605269 0.1538590 -1.1447939), wk = 0.0031746 k( 254) = ( 0.6571115 0.1530634 -1.1189542), wk = 0.0031746 k( 255) = ( 0.6536960 0.1522678 -1.0931144), wk = 0.0031746 k( 256) = ( 0.6502805 0.1514722 -1.0672746), wk = 0.0031746 k( 257) = ( 0.6468651 0.1506767 -1.0414349), wk = 0.0031746 k( 258) = ( 0.6434496 0.1498811 -1.0155951), wk = 0.0031746 k( 259) = ( 0.6400341 0.1490855 -0.9897553), wk = 0.0031746 k( 260) = ( 0.6366187 0.1482899 -0.9639156), wk = 0.0031746 k( 261) = ( 0.6332032 0.1474944 -0.9380758), wk = 0.0031746 k( 262) = ( 0.6297877 0.1466988 -0.9122360), wk = 0.0031746 k( 263) = ( 0.6263723 0.1459032 -0.8863962), wk = 0.0031746 k( 264) = ( 0.6229568 0.1451076 -0.8605565), wk = 0.0031746 k( 265) = ( 0.6195413 0.1443120 -0.8347167), wk = 0.0031746 k( 266) = ( 0.6161259 0.1435165 -0.8088769), wk = 0.0031746 k( 267) = ( 0.6127104 0.1427209 -0.7830372), wk = 0.0031746 k( 268) = ( 0.6092949 0.1419253 -0.7571974), wk = 0.0031746 k( 269) = ( 0.6058795 0.1411297 -0.7313576), wk = 0.0031746 k( 270) = ( 0.6024640 0.1403342 -0.7055179), wk = 0.0031746 k( 271) = ( 0.5990485 0.1395386 -0.6796781), wk = 0.0031746 k( 272) = ( 0.5956331 0.1387430 -0.6538383), wk = 0.0031746 k( 273) = ( 0.5922176 0.1379474 -0.6279985), wk = 0.0031746 k( 274) = ( 0.5888021 0.1371518 -0.6021588), wk = 0.0031746 k( 275) = ( 0.5853867 0.1363563 -0.5763190), wk = 0.0031746 k( 276) = ( 0.5819712 0.1355607 -0.5504792), wk = 0.0031746 k( 277) = ( 0.5785557 0.1347651 -0.5246395), wk = 0.0031746 k( 278) = ( 0.5751403 0.1339695 -0.4987997), wk = 0.0031746 k( 279) = ( 0.5717248 0.1331740 -0.4729599), wk = 0.0031746 k( 280) = ( 0.5683093 0.1323784 -0.4471202), wk = 0.0031746 k( 281) = ( 0.5648939 0.1315828 -0.4212804), wk = 0.0031746 k( 282) = ( 0.5614784 0.1307872 -0.3954406), wk = 0.0031746 k( 283) = ( 0.5580629 0.1299917 -0.3696009), wk = 0.0031746 k( 284) = ( 0.5546475 0.1291961 -0.3437611), wk = 0.0031746 k( 285) = ( 0.5512320 0.1284005 -0.3179213), wk = 0.0031746 k( 286) = ( 0.5478165 0.1276049 -0.2920815), wk = 0.0031746 k( 287) = ( 0.5444011 0.1268093 -0.2662418), wk = 0.0031746 k( 288) = ( 0.5409856 0.1260138 -0.2404020), wk = 0.0031746 k( 289) = ( 0.5375701 0.1252182 -0.2145622), wk = 0.0031746 k( 290) = ( 0.5341547 0.1244226 -0.1887225), wk = 0.0031746 k( 291) = ( 0.5307392 0.1236270 -0.1628827), wk = 0.0031746 k( 292) = ( 0.5273237 0.1228315 -0.1370429), wk = 0.0031746 k( 293) = ( 0.5239083 0.1220359 -0.1112032), wk = 0.0031746 k( 294) = ( 0.5204928 0.1212403 -0.0853634), wk = 0.0031746 k( 295) = ( 0.5170773 0.1204447 -0.0595236), wk = 0.0031746 k( 296) = ( 0.5136619 0.1196491 -0.0336839), wk = 0.0031746 k( 297) = ( 0.5102464 0.1188536 -0.0078441), wk = 0.0031746 k( 298) = ( 0.5068309 0.1180580 0.0179957), wk = 0.0031746 k( 299) = ( 0.5034155 0.1172624 0.0438355), wk = 0.0031746 k( 300) = ( 0.5000000 0.1164668 0.0696752), wk = 0.0031746 k( 301) = ( 0.5000000 -1.0150335 -0.6072346), wk = 0.0031746 k( 302) = ( 0.5229324 -1.0067144 -0.6022578), wk = 0.0031746 k( 303) = ( 0.5458648 -0.9983954 -0.5972810), wk = 0.0031746 k( 304) = ( 0.5687973 -0.9900763 -0.5923042), wk = 0.0031746 k( 305) = ( 0.5917297 -0.9817572 -0.5873274), wk = 0.0031746 k( 306) = ( 0.6146621 -0.9734382 -0.5823506), wk = 0.0031746 k( 307) = ( 0.6375945 -0.9651191 -0.5773738), wk = 0.0031746 k( 308) = ( 0.6605269 -0.9568001 -0.5723970), wk = 0.0031746 k( 309) = ( 0.6834594 -0.9484810 -0.5674202), wk = 0.0031746 k( 310) = ( 0.7063918 -0.9401619 -0.5624434), wk = 0.0031746 k( 311) = ( 0.7293242 -0.9318429 -0.5574666), wk = 0.0031746 k( 312) = ( 0.7522566 -0.9235238 -0.5524897), wk = 0.0031746 k( 313) = ( 0.7751891 -0.9152048 -0.5475130), wk = 0.0031746 k( 314) = ( 0.7981215 -0.9068857 -0.5425361), wk = 0.0031746 k( 315) = ( 0.8210539 -0.8985666 -0.5375593), wk = 0.0031746 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 2) = ( 0.0102041 0.0000000 -0.0000000), wk = 0.0031746 k( 3) = ( 0.0204082 0.0000000 -0.0000000), wk = 0.0031746 k( 4) = ( 0.0306122 0.0000000 0.0000000), wk = 0.0031746 k( 5) = ( 0.0408163 0.0000000 0.0000000), wk = 0.0031746 k( 6) = ( 0.0510204 0.0000000 0.0000000), wk = 0.0031746 k( 7) = ( 0.0612245 0.0000000 0.0000000), wk = 0.0031746 k( 8) = ( 0.0714286 0.0000000 -0.0000000), wk = 0.0031746 k( 9) = ( 0.0816327 0.0000000 -0.0000000), wk = 0.0031746 k( 10) = ( 0.0918367 0.0000000 0.0000000), wk = 0.0031746 k( 11) = ( 0.1020408 0.0000000 0.0000000), wk = 0.0031746 k( 12) = ( 0.1122449 0.0000000 0.0000000), wk = 0.0031746 k( 13) = ( 0.1224490 0.0000000 0.0000000), wk = 0.0031746 k( 14) = ( 0.1326531 0.0000000 0.0000000), wk = 0.0031746 k( 15) = ( 0.1428571 0.0000000 -0.0000000), wk = 0.0031746 k( 16) = ( 0.1530612 0.0000000 0.0000000), wk = 0.0031746 k( 17) = ( 0.1632653 0.0000000 0.0000000), wk = 0.0031746 k( 18) = ( 0.1734694 0.0000000 0.0000000), wk = 0.0031746 k( 19) = ( 0.1836735 0.0000000 0.0000000), wk = 0.0031746 k( 20) = ( 0.1938776 0.0000000 0.0000000), wk = 0.0031746 k( 21) = ( 0.2040816 0.0000000 0.0000000), wk = 0.0031746 k( 22) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0031746 k( 23) = ( 0.2244898 0.0000000 0.0000000), wk = 0.0031746 k( 24) = ( 0.2346939 0.0000000 -0.0000000), wk = 0.0031746 k( 25) = ( 0.2448980 0.0000000 0.0000000), wk = 0.0031746 k( 26) = ( 0.2551020 0.0000000 0.0000000), wk = 0.0031746 k( 27) = ( 0.2653061 0.0000000 0.0000000), wk = 0.0031746 k( 28) = ( 0.2755102 0.0000000 0.0000000), wk = 0.0031746 k( 29) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0031746 k( 30) = ( 0.2959184 0.0000000 0.0000000), wk = 0.0031746 k( 31) = ( 0.3061224 0.0000000 0.0000000), wk = 0.0031746 k( 32) = ( 0.3163265 0.0000000 0.0000000), wk = 0.0031746 k( 33) = ( 0.3265306 0.0000000 0.0000000), wk = 0.0031746 k( 34) = ( 0.3367347 0.0000000 0.0000000), wk = 0.0031746 k( 35) = ( 0.3469388 0.0000000 0.0000000), wk = 0.0031746 k( 36) = ( 0.3571429 0.0000000 0.0000000), wk = 0.0031746 k( 37) = ( 0.3673469 0.0000000 0.0000000), wk = 0.0031746 k( 38) = ( 0.3775510 0.0000000 0.0000000), wk = 0.0031746 k( 39) = ( 0.3877551 0.0000000 0.0000000), wk = 0.0031746 k( 40) = ( 0.3979592 0.0000000 -0.0000000), wk = 0.0031746 k( 41) = ( 0.4081633 0.0000000 0.0000000), wk = 0.0031746 k( 42) = ( 0.4183674 0.0000000 0.0000000), wk = 0.0031746 k( 43) = ( 0.4285714 0.0000000 0.0000000), wk = 0.0031746 k( 44) = ( 0.4387755 0.0000000 -0.0000000), wk = 0.0031746 k( 45) = ( 0.4489796 0.0000000 0.0000000), wk = 0.0031746 k( 46) = ( 0.4591837 0.0000000 0.0000000), wk = 0.0031746 k( 47) = ( 0.4693878 0.0000000 -0.0000000), wk = 0.0031746 k( 48) = ( 0.4795918 0.0000000 0.0000000), wk = 0.0031746 k( 49) = ( 0.4897959 0.0000000 0.0000000), wk = 0.0031746 k( 50) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 51) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 52) = ( 0.5000000 0.0057725 -0.0057725), wk = 0.0031746 k( 53) = ( 0.5000000 0.0115449 -0.0115449), wk = 0.0031746 k( 54) = ( 0.5000000 0.0173174 -0.0173174), wk = 0.0031746 k( 55) = ( 0.5000000 0.0230898 -0.0230898), wk = 0.0031746 k( 56) = ( 0.5000000 0.0288623 -0.0288623), wk = 0.0031746 k( 57) = ( 0.5000000 0.0346347 -0.0346347), wk = 0.0031746 k( 58) = ( 0.5000000 0.0404072 -0.0404072), wk = 0.0031746 k( 59) = ( 0.5000000 0.0461796 -0.0461796), wk = 0.0031746 k( 60) = ( 0.5000000 0.0519521 -0.0519521), wk = 0.0031746 k( 61) = ( 0.5000000 0.0577246 -0.0577245), wk = 0.0031746 k( 62) = ( 0.5000000 0.0634970 -0.0634970), wk = 0.0031746 k( 63) = ( 0.5000000 0.0692695 -0.0692695), wk = 0.0031746 k( 64) = ( 0.5000000 0.0750419 -0.0750419), wk = 0.0031746 k( 65) = ( 0.5000000 0.0808144 -0.0808144), wk = 0.0031746 k( 66) = ( 0.5000000 0.0865868 -0.0865868), wk = 0.0031746 k( 67) = ( 0.5000000 0.0923593 -0.0923593), wk = 0.0031746 k( 68) = ( 0.5000000 0.0981317 -0.0981317), wk = 0.0031746 k( 69) = ( 0.5000000 0.1039042 -0.1039042), wk = 0.0031746 k( 70) = ( 0.5000000 0.1096767 -0.1096767), wk = 0.0031746 k( 71) = ( 0.5000000 0.1154491 -0.1154491), wk = 0.0031746 k( 72) = ( 0.5000000 0.1212216 -0.1212216), wk = 0.0031746 k( 73) = ( 0.5000000 0.1269940 -0.1269940), wk = 0.0031746 k( 74) = ( 0.5000000 0.1327665 -0.1327665), wk = 0.0031746 k( 75) = ( 0.5000000 0.1385389 -0.1385389), wk = 0.0031746 k( 76) = ( 0.5000000 0.1443114 -0.1443114), wk = 0.0031746 k( 77) = ( 0.5000000 0.1500838 -0.1500838), wk = 0.0031746 k( 78) = ( 0.5000000 0.1558563 -0.1558563), wk = 0.0031746 k( 79) = ( 0.5000000 0.1616287 -0.1616287), wk = 0.0031746 k( 80) = ( 0.5000000 0.1674012 -0.1674012), wk = 0.0031746 k( 81) = ( 0.5000000 0.1731737 -0.1731737), wk = 0.0031746 k( 82) = ( 0.5000000 0.1789461 -0.1789461), wk = 0.0031746 k( 83) = ( 0.8210539 0.5000000 0.1789461), wk = 0.0031746 k( 84) = ( 0.8151084 0.5000000 0.1848915), wk = 0.0031746 k( 85) = ( 0.8091630 0.5000000 0.1908370), wk = 0.0031746 k( 86) = ( 0.8032176 0.5000000 0.1967824), wk = 0.0031746 k( 87) = ( 0.7972721 0.5000000 0.2027279), wk = 0.0031746 k( 88) = ( 0.7913267 0.5000000 0.2086733), wk = 0.0031746 k( 89) = ( 0.7853812 0.5000000 0.2146188), wk = 0.0031746 k( 90) = ( 0.7794358 0.5000000 0.2205642), wk = 0.0031746 k( 91) = ( 0.7734903 0.5000000 0.2265096), wk = 0.0031746 k( 92) = ( 0.7675449 0.5000000 0.2324551), wk = 0.0031746 k( 93) = ( 0.7615995 0.5000000 0.2384005), wk = 0.0031746 k( 94) = ( 0.7556540 0.5000000 0.2443460), wk = 0.0031746 k( 95) = ( 0.7497086 0.5000000 0.2502914), wk = 0.0031746 k( 96) = ( 0.7437631 0.5000000 0.2562369), wk = 0.0031746 k( 97) = ( 0.7378177 0.5000000 0.2621823), wk = 0.0031746 k( 98) = ( 0.7318723 0.5000000 0.2681277), wk = 0.0031746 k( 99) = ( 0.7259268 0.5000000 0.2740732), wk = 0.0031746 k( 100) = ( 0.7199814 0.5000000 0.2800186), wk = 0.0031746 k( 101) = ( 0.7140359 0.5000000 0.2859641), wk = 0.0031746 k( 102) = ( 0.7080905 0.5000000 0.2919095), wk = 0.0031746 k( 103) = ( 0.7021450 0.5000000 0.2978550), wk = 0.0031746 k( 104) = ( 0.6961996 0.5000000 0.3038004), wk = 0.0031746 k( 105) = ( 0.6902542 0.5000000 0.3097458), wk = 0.0031746 k( 106) = ( 0.6843087 0.5000000 0.3156913), wk = 0.0031746 k( 107) = ( 0.6783633 0.5000000 0.3216367), wk = 0.0031746 k( 108) = ( 0.6724178 0.5000000 0.3275822), wk = 0.0031746 k( 109) = ( 0.6664724 0.5000000 0.3335276), wk = 0.0031746 k( 110) = ( 0.6605269 0.5000000 0.3394731), wk = 0.0031746 k( 111) = ( 0.6545815 0.5000000 0.3454185), wk = 0.0031746 k( 112) = ( 0.6486361 0.5000000 0.3513639), wk = 0.0031746 k( 113) = ( 0.6426906 0.5000000 0.3573094), wk = 0.0031746 k( 114) = ( 0.6367452 0.5000000 0.3632548), wk = 0.0031746 k( 115) = ( 0.6307997 0.5000000 0.3692003), wk = 0.0031746 k( 116) = ( 0.6248543 0.5000000 0.3751457), wk = 0.0031746 k( 117) = ( 0.6189088 0.5000000 0.3810911), wk = 0.0031746 k( 118) = ( 0.6129634 0.5000000 0.3870366), wk = 0.0031746 k( 119) = ( 0.6070180 0.5000000 0.3929820), wk = 0.0031746 k( 120) = ( 0.6010725 0.5000000 0.3989275), wk = 0.0031746 k( 121) = ( 0.5951271 0.5000000 0.4048729), wk = 0.0031746 k( 122) = ( 0.5891816 0.5000000 0.4108184), wk = 0.0031746 k( 123) = ( 0.5832362 0.5000000 0.4167638), wk = 0.0031746 k( 124) = ( 0.5772907 0.5000000 0.4227093), wk = 0.0031746 k( 125) = ( 0.5713453 0.5000000 0.4286547), wk = 0.0031746 k( 126) = ( 0.5653999 0.5000000 0.4346001), wk = 0.0031746 k( 127) = ( 0.5594544 0.5000000 0.4405456), wk = 0.0031746 k( 128) = ( 0.5535090 0.5000000 0.4464910), wk = 0.0031746 k( 129) = ( 0.5475635 0.5000000 0.4524365), wk = 0.0031746 k( 130) = ( 0.5416181 0.5000000 0.4583819), wk = 0.0031746 k( 131) = ( 0.5356726 0.5000000 0.4643274), wk = 0.0031746 k( 132) = ( 0.5297272 0.5000000 0.4702728), wk = 0.0031746 k( 133) = ( 0.5237818 0.5000000 0.4762182), wk = 0.0031746 k( 134) = ( 0.5178363 0.5000000 0.4821637), wk = 0.0031746 k( 135) = ( 0.5118909 0.5000000 0.4881091), wk = 0.0031746 k( 136) = ( 0.5059454 0.5000000 0.4940546), wk = 0.0031746 k( 137) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 138) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 139) = ( 0.4750000 0.4750000 0.4750000), wk = 0.0031746 k( 140) = ( 0.4500000 0.4500000 0.4500000), wk = 0.0031746 k( 141) = ( 0.4250000 0.4250000 0.4250000), wk = 0.0031746 k( 142) = ( 0.4000000 0.4000000 0.4000000), wk = 0.0031746 k( 143) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0031746 k( 144) = ( 0.3500000 0.3500000 0.3500000), wk = 0.0031746 k( 145) = ( 0.3250000 0.3250000 0.3250000), wk = 0.0031746 k( 146) = ( 0.3000000 0.3000000 0.3000000), wk = 0.0031746 k( 147) = ( 0.2750000 0.2750000 0.2750000), wk = 0.0031746 k( 148) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0031746 k( 149) = ( 0.2250000 0.2250000 0.2250000), wk = 0.0031746 k( 150) = ( 0.2000000 0.2000000 0.2000000), wk = 0.0031746 k( 151) = ( 0.1750000 0.1750000 0.1750000), wk = 0.0031746 k( 152) = ( 0.1500000 0.1500000 0.1500000), wk = 0.0031746 k( 153) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0031746 k( 154) = ( 0.1000000 0.1000000 0.1000000), wk = 0.0031746 k( 155) = ( 0.0750000 0.0750000 0.0750000), wk = 0.0031746 k( 156) = ( 0.0500000 0.0500000 0.0500000), wk = 0.0031746 k( 157) = ( 0.0250000 0.0250000 0.0250000), wk = 0.0031746 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031746 k( 160) = ( 0.0059557 0.0000000 -0.0059557), wk = 0.0031746 k( 161) = ( 0.0119113 0.0000000 -0.0119113), wk = 0.0031746 k( 162) = ( 0.0178670 0.0000000 -0.0178670), wk = 0.0031746 k( 163) = ( 0.0238227 0.0000000 -0.0238227), wk = 0.0031746 k( 164) = ( 0.0297783 0.0000000 -0.0297783), wk = 0.0031746 k( 165) = ( 0.0357340 0.0000000 -0.0357340), wk = 0.0031746 k( 166) = ( 0.0416897 0.0000000 -0.0416897), wk = 0.0031746 k( 167) = ( 0.0476453 0.0000000 -0.0476453), wk = 0.0031746 k( 168) = ( 0.0536010 0.0000000 -0.0536010), wk = 0.0031746 k( 169) = ( 0.0595567 0.0000000 -0.0595567), wk = 0.0031746 k( 170) = ( 0.0655123 0.0000000 -0.0655123), wk = 0.0031746 k( 171) = ( 0.0714680 0.0000000 -0.0714680), wk = 0.0031746 k( 172) = ( 0.0774237 0.0000000 -0.0774237), wk = 0.0031746 k( 173) = ( 0.0833794 0.0000000 -0.0833793), wk = 0.0031746 k( 174) = ( 0.0893350 0.0000000 -0.0893350), wk = 0.0031746 k( 175) = ( 0.0952907 0.0000000 -0.0952907), wk = 0.0031746 k( 176) = ( 0.1012463 0.0000000 -0.1012464), wk = 0.0031746 k( 177) = ( 0.1072020 0.0000000 -0.1072020), wk = 0.0031746 k( 178) = ( 0.1131577 0.0000000 -0.1131577), wk = 0.0031746 k( 179) = ( 0.1191134 0.0000000 -0.1191134), wk = 0.0031746 k( 180) = ( 0.1250690 0.0000000 -0.1250690), wk = 0.0031746 k( 181) = ( 0.1310247 0.0000000 -0.1310247), wk = 0.0031746 k( 182) = ( 0.1369804 0.0000000 -0.1369804), wk = 0.0031746 k( 183) = ( 0.1429360 0.0000000 -0.1429360), wk = 0.0031746 k( 184) = ( 0.1488917 0.0000000 -0.1488917), wk = 0.0031746 k( 185) = ( 0.1548474 0.0000000 -0.1548474), wk = 0.0031746 k( 186) = ( 0.1608030 0.0000000 -0.1608030), wk = 0.0031746 k( 187) = ( 0.1667587 0.0000000 -0.1667587), wk = 0.0031746 k( 188) = ( 0.1727144 0.0000000 -0.1727144), wk = 0.0031746 k( 189) = ( 0.1786700 0.0000000 -0.1786700), wk = 0.0031746 k( 190) = ( 0.1846257 0.0000000 -0.1846257), wk = 0.0031746 k( 191) = ( 0.1905814 0.0000000 -0.1905814), wk = 0.0031746 k( 192) = ( 0.1965370 0.0000000 -0.1965370), wk = 0.0031746 k( 193) = ( 0.2024927 0.0000000 -0.2024927), wk = 0.0031746 k( 194) = ( 0.2084484 0.0000000 -0.2084484), wk = 0.0031746 k( 195) = ( 0.2144040 0.0000000 -0.2144040), wk = 0.0031746 k( 196) = ( 0.2203597 0.0000000 -0.2203597), wk = 0.0031746 k( 197) = ( 0.2263154 0.0000000 -0.2263154), wk = 0.0031746 k( 198) = ( 0.2322710 0.0000000 -0.2322710), wk = 0.0031746 k( 199) = ( 0.2382267 0.0000000 -0.2382267), wk = 0.0031746 k( 200) = ( 0.2441824 0.0000000 -0.2441824), wk = 0.0031746 k( 201) = ( 0.2501380 0.0000000 -0.2501380), wk = 0.0031746 k( 202) = ( 0.2560937 0.0000000 -0.2560937), wk = 0.0031746 k( 203) = ( 0.2620494 0.0000000 -0.2620494), wk = 0.0031746 k( 204) = ( 0.2680050 0.0000000 -0.2680050), wk = 0.0031746 k( 205) = ( 0.2739607 0.0000000 -0.2739607), wk = 0.0031746 k( 206) = ( 0.2799164 0.0000000 -0.2799164), wk = 0.0031746 k( 207) = ( 0.2858720 0.0000000 -0.2858720), wk = 0.0031746 k( 208) = ( 0.2918277 0.0000000 -0.2918277), wk = 0.0031746 k( 209) = ( 0.2977834 0.0000000 -0.2977834), wk = 0.0031746 k( 210) = ( 0.3037391 0.0000000 -0.3037391), wk = 0.0031746 k( 211) = ( 0.3096947 0.0000000 -0.3096947), wk = 0.0031746 k( 212) = ( 0.3156504 0.0000000 -0.3156504), wk = 0.0031746 k( 213) = ( 0.3216060 0.0000000 -0.3216060), wk = 0.0031746 k( 214) = ( 0.3275617 0.0000000 -0.3275617), wk = 0.0031746 k( 215) = ( 0.3335174 0.0000000 -0.3335174), wk = 0.0031746 k( 216) = ( 0.3394730 0.0000000 -0.3394731), wk = 0.0031746 k( 217) = ( 0.6605269 0.3394731 -0.0000000), wk = 0.0031746 k( 218) = ( 0.6545815 0.3454185 0.0000000), wk = 0.0031746 k( 219) = ( 0.6486361 0.3513639 0.0000000), wk = 0.0031746 k( 220) = ( 0.6426906 0.3573094 -0.0000000), wk = 0.0031746 k( 221) = ( 0.6367452 0.3632548 0.0000000), wk = 0.0031746 k( 222) = ( 0.6307997 0.3692003 0.0000000), wk = 0.0031746 k( 223) = ( 0.6248543 0.3751457 0.0000000), wk = 0.0031746 k( 224) = ( 0.6189088 0.3810912 -0.0000000), wk = 0.0031746 k( 225) = ( 0.6129634 0.3870366 0.0000000), wk = 0.0031746 k( 226) = ( 0.6070180 0.3929820 0.0000000), wk = 0.0031746 k( 227) = ( 0.6010725 0.3989275 -0.0000000), wk = 0.0031746 k( 228) = ( 0.5951271 0.4048729 0.0000000), wk = 0.0031746 k( 229) = ( 0.5891816 0.4108184 0.0000000), wk = 0.0031746 k( 230) = ( 0.5832362 0.4167638 -0.0000000), wk = 0.0031746 k( 231) = ( 0.5772907 0.4227093 -0.0000000), wk = 0.0031746 k( 232) = ( 0.5713453 0.4286547 0.0000000), wk = 0.0031746 k( 233) = ( 0.5653999 0.4346001 0.0000000), wk = 0.0031746 k( 234) = ( 0.5594544 0.4405456 -0.0000000), wk = 0.0031746 k( 235) = ( 0.5535090 0.4464910 0.0000000), wk = 0.0031746 k( 236) = ( 0.5475635 0.4524365 -0.0000000), wk = 0.0031746 k( 237) = ( 0.5416181 0.4583819 0.0000000), wk = 0.0031746 k( 238) = ( 0.5356726 0.4643274 0.0000000), wk = 0.0031746 k( 239) = ( 0.5297272 0.4702728 -0.0000000), wk = 0.0031746 k( 240) = ( 0.5237818 0.4762182 0.0000000), wk = 0.0031746 k( 241) = ( 0.5178363 0.4821637 0.0000000), wk = 0.0031746 k( 242) = ( 0.5118909 0.4881091 -0.0000000), wk = 0.0031746 k( 243) = ( 0.5059454 0.4940546 -0.0000000), wk = 0.0031746 k( 244) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 245) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0031746 k( 246) = ( 0.5229324 0.5229324 0.0255637), wk = 0.0031746 k( 247) = ( 0.5458648 0.5458648 0.0511275), wk = 0.0031746 k( 248) = ( 0.5687973 0.5687973 0.0766912), wk = 0.0031746 k( 249) = ( 0.5917297 0.5917297 0.1022549), wk = 0.0031746 k( 250) = ( 0.6146621 0.6146621 0.1278187), wk = 0.0031746 k( 251) = ( 0.6375945 0.6375945 0.1533824), wk = 0.0031746 k( 252) = ( 0.6605269 0.6605270 0.1789461), wk = 0.0031746 k( 253) = ( 0.6605269 0.6605270 0.1789461), wk = 0.0031746 k( 254) = ( 0.6571115 0.6571115 0.1857770), wk = 0.0031746 k( 255) = ( 0.6536960 0.6536960 0.1926080), wk = 0.0031746 k( 256) = ( 0.6502805 0.6502806 0.1994389), wk = 0.0031746 k( 257) = ( 0.6468651 0.6468651 0.2062698), wk = 0.0031746 k( 258) = ( 0.6434496 0.6434496 0.2131008), wk = 0.0031746 k( 259) = ( 0.6400341 0.6400341 0.2199317), wk = 0.0031746 k( 260) = ( 0.6366187 0.6366187 0.2267626), wk = 0.0031746 k( 261) = ( 0.6332032 0.6332032 0.2335936), wk = 0.0031746 k( 262) = ( 0.6297877 0.6297877 0.2404245), wk = 0.0031746 k( 263) = ( 0.6263723 0.6263723 0.2472555), wk = 0.0031746 k( 264) = ( 0.6229568 0.6229568 0.2540864), wk = 0.0031746 k( 265) = ( 0.6195413 0.6195413 0.2609173), wk = 0.0031746 k( 266) = ( 0.6161259 0.6161259 0.2677483), wk = 0.0031746 k( 267) = ( 0.6127104 0.6127104 0.2745792), wk = 0.0031746 k( 268) = ( 0.6092949 0.6092949 0.2814101), wk = 0.0031746 k( 269) = ( 0.6058795 0.6058795 0.2882411), wk = 0.0031746 k( 270) = ( 0.6024640 0.6024640 0.2950720), wk = 0.0031746 k( 271) = ( 0.5990485 0.5990485 0.3019029), wk = 0.0031746 k( 272) = ( 0.5956331 0.5956331 0.3087338), wk = 0.0031746 k( 273) = ( 0.5922176 0.5922176 0.3155648), wk = 0.0031746 k( 274) = ( 0.5888021 0.5888021 0.3223957), wk = 0.0031746 k( 275) = ( 0.5853867 0.5853867 0.3292266), wk = 0.0031746 k( 276) = ( 0.5819712 0.5819712 0.3360576), wk = 0.0031746 k( 277) = ( 0.5785557 0.5785557 0.3428885), wk = 0.0031746 k( 278) = ( 0.5751403 0.5751403 0.3497194), wk = 0.0031746 k( 279) = ( 0.5717248 0.5717248 0.3565504), wk = 0.0031746 k( 280) = ( 0.5683093 0.5683093 0.3633813), wk = 0.0031746 k( 281) = ( 0.5648939 0.5648939 0.3702123), wk = 0.0031746 k( 282) = ( 0.5614784 0.5614784 0.3770432), wk = 0.0031746 k( 283) = ( 0.5580629 0.5580629 0.3838741), wk = 0.0031746 k( 284) = ( 0.5546475 0.5546475 0.3907051), wk = 0.0031746 k( 285) = ( 0.5512320 0.5512320 0.3975360), wk = 0.0031746 k( 286) = ( 0.5478165 0.5478165 0.4043669), wk = 0.0031746 k( 287) = ( 0.5444011 0.5444011 0.4111979), wk = 0.0031746 k( 288) = ( 0.5409856 0.5409856 0.4180288), wk = 0.0031746 k( 289) = ( 0.5375701 0.5375701 0.4248597), wk = 0.0031746 k( 290) = ( 0.5341547 0.5341547 0.4316907), wk = 0.0031746 k( 291) = ( 0.5307392 0.5307392 0.4385216), wk = 0.0031746 k( 292) = ( 0.5273237 0.5273237 0.4453525), wk = 0.0031746 k( 293) = ( 0.5239083 0.5239083 0.4521835), wk = 0.0031746 k( 294) = ( 0.5204928 0.5204928 0.4590144), wk = 0.0031746 k( 295) = ( 0.5170773 0.5170773 0.4658453), wk = 0.0031746 k( 296) = ( 0.5136619 0.5136619 0.4726763), wk = 0.0031746 k( 297) = ( 0.5102464 0.5102464 0.4795072), wk = 0.0031746 k( 298) = ( 0.5068309 0.5068309 0.4863381), wk = 0.0031746 k( 299) = ( 0.5034155 0.5034155 0.4931691), wk = 0.0031746 k( 300) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031746 k( 301) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0031746 k( 302) = ( 0.5229324 0.0242481 0.0242481), wk = 0.0031746 k( 303) = ( 0.5458648 0.0484962 0.0484962), wk = 0.0031746 k( 304) = ( 0.5687973 0.0727442 0.0727442), wk = 0.0031746 k( 305) = ( 0.5917297 0.0969923 0.0969923), wk = 0.0031746 k( 306) = ( 0.6146621 0.1212404 0.1212404), wk = 0.0031746 k( 307) = ( 0.6375945 0.1454885 0.1454885), wk = 0.0031746 k( 308) = ( 0.6605269 0.1697365 0.1697365), wk = 0.0031746 k( 309) = ( 0.6834594 0.1939846 0.1939846), wk = 0.0031746 k( 310) = ( 0.7063918 0.2182327 0.2182327), wk = 0.0031746 k( 311) = ( 0.7293242 0.2424808 0.2424808), wk = 0.0031746 k( 312) = ( 0.7522566 0.2667288 0.2667288), wk = 0.0031746 k( 313) = ( 0.7751891 0.2909769 0.2909769), wk = 0.0031746 k( 314) = ( 0.7981215 0.3152250 0.3152250), wk = 0.0031746 k( 315) = ( 0.8210539 0.3394731 0.3394731), wk = 0.0031746 Dense grid: 41049 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 25713 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.09 Mb ( 130, 46) NL pseudopotentials 0.10 Mb ( 65, 96) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.01 Mb ( 856) G-vector shells 0.01 Mb ( 738) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.36 Mb ( 130, 184) Each subspace H/S matrix 0.52 Mb ( 184, 184) Each matrix 0.13 Mb ( 96, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./GaSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.6 secs Computing kpt #: 2 total cpu time spent up to now is 44.4 secs Computing kpt #: 3 total cpu time spent up to now is 45.9 secs Computing kpt #: 4 total cpu time spent up to now is 47.5 secs Computing kpt #: 5 total cpu time spent up to now is 49.0 secs Computing kpt #: 6 total cpu time spent up to now is 50.5 secs Computing kpt #: 7 total cpu time spent up to now is 52.0 secs Computing kpt #: 8 total cpu time spent up to now is 53.6 secs Computing kpt #: 9 total cpu time spent up to now is 55.1 secs Computing kpt #: 10 total cpu time spent up to now is 56.7 secs Computing kpt #: 11 total cpu time spent up to now is 58.3 secs Computing kpt #: 12 total cpu time spent up to now is 59.9 secs Computing kpt #: 13 total cpu time spent up to now is 61.4 secs Computing kpt #: 14 total cpu time spent up to now is 63.0 secs Computing kpt #: 15 total cpu time spent up to now is 64.9 secs Computing kpt #: 16 total cpu time spent up to now is 66.5 secs Computing kpt #: 17 total cpu time spent up to now is 68.4 secs Computing kpt #: 18 total cpu time spent up to now is 70.2 secs Computing kpt #: 19 total cpu time spent up to now is 72.1 secs Computing kpt #: 20 total cpu time spent up to now is 74.1 secs Computing kpt #: 21 total cpu time spent up to now is 75.9 secs Computing kpt #: 22 total cpu time spent up to now is 77.8 secs Computing kpt #: 23 total cpu time spent up to now is 79.8 secs Computing kpt #: 24 total cpu time spent up to now is 81.8 secs Computing kpt #: 25 total cpu time spent up to now is 83.7 secs Computing kpt #: 26 total cpu time spent up to now is 85.7 secs Computing kpt #: 27 total cpu time spent up to now is 87.9 secs Computing kpt #: 28 total cpu time spent up to now is 89.8 secs Computing kpt #: 29 total cpu time spent up to now is 92.0 secs Computing kpt #: 30 total cpu time spent up to now is 94.2 secs Computing kpt #: 31 total cpu time spent up to now is 96.4 secs Computing kpt #: 32 total cpu time spent up to now is 98.5 secs Computing kpt #: 33 total cpu time spent up to now is 100.6 secs Computing kpt #: 34 total cpu time spent up to now is 102.7 secs Computing kpt #: 35 total cpu time spent up to now is 104.8 secs Computing kpt #: 36 total cpu time spent up to now is 106.7 secs Computing kpt #: 37 total cpu time spent up to now is 108.7 secs Computing kpt #: 38 total cpu time spent up to now is 110.6 secs Computing kpt #: 39 total cpu time spent up to now is 112.6 secs Computing kpt #: 40 total cpu time spent up to now is 114.8 secs Computing kpt #: 41 total cpu time spent up to now is 116.8 secs Computing kpt #: 42 total cpu time spent up to now is 119.0 secs Computing kpt #: 43 total cpu time spent up to now is 120.9 secs Computing kpt #: 44 total cpu time spent up to now is 122.8 secs Computing kpt #: 45 total cpu time spent up to now is 124.8 secs Computing kpt #: 46 total cpu time spent up to now is 126.7 secs Computing kpt #: 47 total cpu time spent up to now is 128.6 secs Computing kpt #: 48 total cpu time spent up to now is 130.5 secs Computing kpt #: 49 total cpu time spent up to now is 132.3 secs Computing kpt #: 50 total cpu time spent up to now is 134.2 secs Computing kpt #: 51 total cpu time spent up to now is 136.0 secs Computing kpt #: 52 total cpu time spent up to now is 137.9 secs Computing kpt #: 53 total cpu time spent up to now is 139.7 secs Computing kpt #: 54 total cpu time spent up to now is 141.6 secs Computing kpt #: 55 total cpu time spent up to now is 143.5 secs Computing kpt #: 56 total cpu time spent up to now is 145.4 secs Computing kpt #: 57 total cpu time spent up to now is 147.4 secs Computing kpt #: 58 total cpu time spent up to now is 149.4 secs Computing kpt #: 59 total cpu time spent up to now is 151.4 secs Computing kpt #: 60 total cpu time spent up to now is 153.5 secs Computing kpt #: 61 total cpu time spent up to now is 155.6 secs Computing kpt #: 62 total cpu time spent up to now is 157.7 secs Computing kpt #: 63 total cpu time spent up to now is 159.8 secs Computing kpt #: 64 total cpu time spent up to now is 161.9 secs Computing kpt #: 65 total cpu time spent up to now is 164.0 secs Computing kpt #: 66 total cpu time spent up to now is 166.1 secs Computing kpt #: 67 total cpu time spent up to now is 168.2 secs Computing kpt #: 68 total cpu time spent up to now is 170.2 secs Computing kpt #: 69 total cpu time spent up to now is 172.3 secs Computing kpt #: 70 total cpu time spent up to now is 174.4 secs Computing kpt #: 71 total cpu time spent up to now is 176.4 secs Computing kpt #: 72 total cpu time spent up to now is 178.5 secs Computing kpt #: 73 total cpu time spent up to now is 180.5 secs Computing kpt #: 74 total cpu time spent up to now is 182.5 secs Computing kpt #: 75 total cpu time spent up to now is 184.4 secs Computing kpt #: 76 total cpu time spent up to now is 186.3 secs Computing kpt #: 77 total cpu time spent up to now is 188.3 secs Computing kpt #: 78 total cpu time spent up to now is 190.3 secs Computing kpt #: 79 total cpu time spent up to now is 192.1 secs Computing kpt #: 80 total cpu time spent up to now is 194.1 secs Computing kpt #: 81 total cpu time spent up to now is 196.1 secs Computing kpt #: 82 total cpu time spent up to now is 198.1 secs Computing kpt #: 83 total cpu time spent up to now is 200.1 secs Computing kpt #: 84 total cpu time spent up to now is 202.2 secs Computing kpt #: 85 total cpu time spent up to now is 204.2 secs Computing kpt #: 86 total cpu time spent up to now is 206.2 secs Computing kpt #: 87 total cpu time spent up to now is 208.2 secs Computing kpt #: 88 total cpu time spent up to now is 210.2 secs Computing kpt #: 89 total cpu time spent up to now is 212.2 secs Computing kpt #: 90 total cpu time spent up to now is 214.4 secs Computing kpt #: 91 total cpu time spent up to now is 216.5 secs Computing kpt #: 92 total cpu time spent up to now is 218.5 secs Computing kpt #: 93 total cpu time spent up to now is 220.7 secs Computing kpt #: 94 total cpu time spent up to now is 222.8 secs Computing kpt #: 95 total cpu time spent up to now is 225.0 secs Computing kpt #: 96 total cpu time spent up to now is 227.4 secs Computing kpt #: 97 total cpu time spent up to now is 229.8 secs Computing kpt #: 98 total cpu time spent up to now is 232.3 secs Computing kpt #: 99 total cpu time spent up to now is 234.7 secs Computing kpt #: 100 total cpu time spent up to now is 237.1 secs Computing kpt #: 101 total cpu time spent up to now is 239.2 secs Computing kpt #: 102 total cpu time spent up to now is 241.2 secs Computing kpt #: 103 total cpu time spent up to now is 243.2 secs Computing kpt #: 104 total cpu time spent up to now is 245.1 secs Computing kpt #: 105 total cpu time spent up to now is 247.1 secs Computing kpt #: 106 total cpu time spent up to now is 249.1 secs Computing kpt #: 107 total cpu time spent up to now is 251.1 secs Computing kpt #: 108 total cpu time spent up to now is 253.0 secs Computing kpt #: 109 total cpu time spent up to now is 255.0 secs Computing kpt #: 110 total cpu time spent up to now is 257.0 secs Computing kpt #: 111 total cpu time spent up to now is 258.9 secs Computing kpt #: 112 total cpu time spent up to now is 260.9 secs Computing kpt #: 113 total cpu time spent up to now is 262.9 secs Computing kpt #: 114 total cpu time spent up to now is 264.8 secs Computing kpt #: 115 total cpu time spent up to now is 266.7 secs Computing kpt #: 116 total cpu time spent up to now is 268.6 secs Computing kpt #: 117 total cpu time spent up to now is 270.6 secs Computing kpt #: 118 total cpu time spent up to now is 272.5 secs Computing kpt #: 119 total cpu time spent up to now is 274.5 secs Computing kpt #: 120 total cpu time spent up to now is 276.4 secs Computing kpt #: 121 total cpu time spent up to now is 278.3 secs Computing kpt #: 122 total cpu time spent up to now is 280.2 secs Computing kpt #: 123 total cpu time spent up to now is 282.0 secs Computing kpt #: 124 total cpu time spent up to now is 283.6 secs Computing kpt #: 125 total cpu time spent up to now is 285.3 secs Computing kpt #: 126 total cpu time spent up to now is 286.9 secs Computing kpt #: 127 total cpu time spent up to now is 288.5 secs Computing kpt #: 128 total cpu time spent up to now is 290.0 secs Computing kpt #: 129 total cpu time spent up to now is 291.7 secs Computing kpt #: 130 total cpu time spent up to now is 293.2 secs Computing kpt #: 131 total cpu time spent up to now is 294.8 secs Computing kpt #: 132 total cpu time spent up to now is 296.3 secs Computing kpt #: 133 total cpu time spent up to now is 297.8 secs Computing kpt #: 134 total cpu time spent up to now is 299.3 secs Computing kpt #: 135 total cpu time spent up to now is 300.8 secs Computing kpt #: 136 total cpu time spent up to now is 302.3 secs Computing kpt #: 137 total cpu time spent up to now is 303.8 secs Computing kpt #: 138 total cpu time spent up to now is 305.3 secs Computing kpt #: 139 total cpu time spent up to now is 306.8 secs Computing kpt #: 140 total cpu time spent up to now is 308.3 secs Computing kpt #: 141 total cpu time spent up to now is 309.8 secs Computing kpt #: 142 total cpu time spent up to now is 311.3 secs Computing kpt #: 143 total cpu time spent up to now is 312.8 secs Computing kpt #: 144 total cpu time spent up to now is 314.3 secs Computing kpt #: 145 total cpu time spent up to now is 315.8 secs Computing kpt #: 146 total cpu time spent up to now is 317.5 secs Computing kpt #: 147 total cpu time spent up to now is 319.1 secs Computing kpt #: 148 total cpu time spent up to now is 320.6 secs Computing kpt #: 149 total cpu time spent up to now is 322.1 secs Computing kpt #: 150 total cpu time spent up to now is 323.6 secs Computing kpt #: 151 total cpu time spent up to now is 325.1 secs Computing kpt #: 152 total cpu time spent up to now is 326.7 secs Computing kpt #: 153 total cpu time spent up to now is 328.3 secs Computing kpt #: 154 total cpu time spent up to now is 329.8 secs Computing kpt #: 155 total cpu time spent up to now is 331.3 secs Computing kpt #: 156 total cpu time spent up to now is 332.9 secs Computing kpt #: 157 total cpu time spent up to now is 334.4 secs Computing kpt #: 158 total cpu time spent up to now is 335.9 secs Computing kpt #: 159 total cpu time spent up to now is 337.4 secs Computing kpt #: 160 total cpu time spent up to now is 339.0 secs Computing kpt #: 161 total cpu time spent up to now is 340.6 secs Computing kpt #: 162 total cpu time spent up to now is 342.1 secs Computing kpt #: 163 total cpu time spent up to now is 343.7 secs Computing kpt #: 164 total cpu time spent up to now is 345.2 secs Computing kpt #: 165 total cpu time spent up to now is 346.8 secs Computing kpt #: 166 total cpu time spent up to now is 348.4 secs Computing kpt #: 167 total cpu time spent up to now is 349.9 secs Computing kpt #: 168 total cpu time spent up to now is 351.6 secs Computing kpt #: 169 total cpu time spent up to now is 353.2 secs Computing kpt #: 170 total cpu time spent up to now is 354.8 secs Computing kpt #: 171 total cpu time spent up to now is 356.4 secs Computing kpt #: 172 total cpu time spent up to now is 358.1 secs Computing kpt #: 173 total cpu time spent up to now is 359.7 secs Computing kpt #: 174 total cpu time spent up to now is 361.5 secs Computing kpt #: 175 total cpu time spent up to now is 363.2 secs Computing kpt #: 176 total cpu time spent up to now is 365.1 secs Computing kpt #: 177 total cpu time spent up to now is 367.0 secs Computing kpt #: 178 total cpu time spent up to now is 368.9 secs Computing kpt #: 179 total cpu time spent up to now is 370.8 secs Computing kpt #: 180 total cpu time spent up to now is 372.4 secs Computing kpt #: 181 total cpu time spent up to now is 374.3 secs Computing kpt #: 182 total cpu time spent up to now is 376.3 secs Computing kpt #: 183 total cpu time spent up to now is 378.2 secs Computing kpt #: 184 total cpu time spent up to now is 380.1 secs Computing kpt #: 185 total cpu time spent up to now is 382.0 secs Computing kpt #: 186 total cpu time spent up to now is 383.9 secs Computing kpt #: 187 total cpu time spent up to now is 385.9 secs Computing kpt #: 188 total cpu time spent up to now is 387.9 secs Computing kpt #: 189 total cpu time spent up to now is 389.8 secs Computing kpt #: 190 total cpu time spent up to now is 392.0 secs Computing kpt #: 191 total cpu time spent up to now is 394.3 secs Computing kpt #: 192 total cpu time spent up to now is 396.7 secs Computing kpt #: 193 total cpu time spent up to now is 399.2 secs Computing kpt #: 194 total cpu time spent up to now is 401.6 secs Computing kpt #: 195 total cpu time spent up to now is 404.0 secs Computing kpt #: 196 total cpu time spent up to now is 406.3 secs Computing kpt #: 197 total cpu time spent up to now is 408.4 secs Computing kpt #: 198 total cpu time spent up to now is 410.5 secs Computing kpt #: 199 total cpu time spent up to now is 412.6 secs Computing kpt #: 200 total cpu time spent up to now is 414.7 secs Computing kpt #: 201 total cpu time spent up to now is 416.8 secs Computing kpt #: 202 total cpu time spent up to now is 418.9 secs Computing kpt #: 203 total cpu time spent up to now is 420.9 secs Computing kpt #: 204 total cpu time spent up to now is 423.0 secs Computing kpt #: 205 total cpu time spent up to now is 425.0 secs Computing kpt #: 206 total cpu time spent up to now is 426.8 secs Computing kpt #: 207 total cpu time spent up to now is 428.7 secs Computing kpt #: 208 total cpu time spent up to now is 430.6 secs Computing kpt #: 209 total cpu time spent up to now is 432.4 secs Computing kpt #: 210 total cpu time spent up to now is 434.2 secs Computing kpt #: 211 total cpu time spent up to now is 436.1 secs Computing kpt #: 212 total cpu time spent up to now is 438.0 secs Computing kpt #: 213 total cpu time spent up to now is 439.8 secs Computing kpt #: 214 total cpu time spent up to now is 441.7 secs Computing kpt #: 215 total cpu time spent up to now is 443.6 secs Computing kpt #: 216 total cpu time spent up to now is 445.5 secs Computing kpt #: 217 total cpu time spent up to now is 447.4 secs Computing kpt #: 218 total cpu time spent up to now is 449.4 secs Computing kpt #: 219 total cpu time spent up to now is 451.3 secs Computing kpt #: 220 total cpu time spent up to now is 453.3 secs Computing kpt #: 221 total cpu time spent up to now is 455.4 secs Computing kpt #: 222 total cpu time spent up to now is 457.5 secs Computing kpt #: 223 total cpu time spent up to now is 459.6 secs Computing kpt #: 224 total cpu time spent up to now is 461.7 secs Computing kpt #: 225 total cpu time spent up to now is 463.8 secs Computing kpt #: 226 total cpu time spent up to now is 466.3 secs Computing kpt #: 227 total cpu time spent up to now is 468.4 secs Computing kpt #: 228 total cpu time spent up to now is 470.9 secs Computing kpt #: 229 total cpu time spent up to now is 473.1 secs Computing kpt #: 230 total cpu time spent up to now is 475.2 secs Computing kpt #: 231 total cpu time spent up to now is 477.3 secs Computing kpt #: 232 total cpu time spent up to now is 479.3 secs Computing kpt #: 233 total cpu time spent up to now is 481.4 secs Computing kpt #: 234 total cpu time spent up to now is 483.4 secs Computing kpt #: 235 total cpu time spent up to now is 485.5 secs Computing kpt #: 236 total cpu time spent up to now is 487.4 secs Computing kpt #: 237 total cpu time spent up to now is 489.4 secs Computing kpt #: 238 total cpu time spent up to now is 491.4 secs Computing kpt #: 239 total cpu time spent up to now is 493.3 secs Computing kpt #: 240 total cpu time spent up to now is 495.2 secs Computing kpt #: 241 total cpu time spent up to now is 497.2 secs Computing kpt #: 242 total cpu time spent up to now is 499.1 secs Computing kpt #: 243 total cpu time spent up to now is 501.0 secs Computing kpt #: 244 total cpu time spent up to now is 502.9 secs Computing kpt #: 245 total cpu time spent up to now is 504.8 secs Computing kpt #: 246 total cpu time spent up to now is 506.7 secs Computing kpt #: 247 total cpu time spent up to now is 508.6 secs Computing kpt #: 248 total cpu time spent up to now is 510.5 secs Computing kpt #: 249 total cpu time spent up to now is 512.4 secs Computing kpt #: 250 total cpu time spent up to now is 514.4 secs Computing kpt #: 251 total cpu time spent up to now is 516.4 secs Computing kpt #: 252 total cpu time spent up to now is 518.7 secs Computing kpt #: 253 total cpu time spent up to now is 520.7 secs Computing kpt #: 254 total cpu time spent up to now is 522.8 secs Computing kpt #: 255 total cpu time spent up to now is 524.8 secs Computing kpt #: 256 total cpu time spent up to now is 526.9 secs Computing kpt #: 257 total cpu time spent up to now is 528.9 secs Computing kpt #: 258 total cpu time spent up to now is 531.0 secs Computing kpt #: 259 total cpu time spent up to now is 533.1 secs Computing kpt #: 260 total cpu time spent up to now is 535.2 secs Computing kpt #: 261 total cpu time spent up to now is 537.3 secs Computing kpt #: 262 total cpu time spent up to now is 539.3 secs Computing kpt #: 263 total cpu time spent up to now is 541.4 secs Computing kpt #: 264 total cpu time spent up to now is 543.6 secs Computing kpt #: 265 total cpu time spent up to now is 545.8 secs Computing kpt #: 266 total cpu time spent up to now is 548.0 secs Computing kpt #: 267 total cpu time spent up to now is 550.1 secs Computing kpt #: 268 total cpu time spent up to now is 552.0 secs Computing kpt #: 269 total cpu time spent up to now is 554.0 secs Computing kpt #: 270 total cpu time spent up to now is 556.0 secs Computing kpt #: 271 total cpu time spent up to now is 557.9 secs Computing kpt #: 272 total cpu time spent up to now is 559.9 secs Computing kpt #: 273 total cpu time spent up to now is 561.9 secs Computing kpt #: 274 total cpu time spent up to now is 563.8 secs Computing kpt #: 275 total cpu time spent up to now is 565.8 secs Computing kpt #: 276 total cpu time spent up to now is 567.8 secs Computing kpt #: 277 total cpu time spent up to now is 569.8 secs Computing kpt #: 278 total cpu time spent up to now is 571.8 secs Computing kpt #: 279 total cpu time spent up to now is 573.7 secs Computing kpt #: 280 total cpu time spent up to now is 575.7 secs Computing kpt #: 281 total cpu time spent up to now is 577.6 secs Computing kpt #: 282 total cpu time spent up to now is 579.5 secs Computing kpt #: 283 total cpu time spent up to now is 581.4 secs Computing kpt #: 284 total cpu time spent up to now is 583.3 secs Computing kpt #: 285 total cpu time spent up to now is 584.9 secs Computing kpt #: 286 total cpu time spent up to now is 586.6 secs Computing kpt #: 287 total cpu time spent up to now is 588.2 secs Computing kpt #: 288 total cpu time spent up to now is 589.8 secs Computing kpt #: 289 total cpu time spent up to now is 591.4 secs Computing kpt #: 290 total cpu time spent up to now is 593.0 secs Computing kpt #: 291 total cpu time spent up to now is 594.6 secs Computing kpt #: 292 total cpu time spent up to now is 596.2 secs Computing kpt #: 293 total cpu time spent up to now is 597.7 secs Computing kpt #: 294 total cpu time spent up to now is 599.3 secs Computing kpt #: 295 total cpu time spent up to now is 600.8 secs Computing kpt #: 296 total cpu time spent up to now is 602.3 secs Computing kpt #: 297 total cpu time spent up to now is 603.8 secs Computing kpt #: 298 total cpu time spent up to now is 605.3 secs Computing kpt #: 299 total cpu time spent up to now is 606.8 secs Computing kpt #: 300 total cpu time spent up to now is 608.3 secs Computing kpt #: 301 total cpu time spent up to now is 610.2 secs Computing kpt #: 302 total cpu time spent up to now is 612.1 secs Computing kpt #: 303 total cpu time spent up to now is 614.0 secs Computing kpt #: 304 total cpu time spent up to now is 616.0 secs Computing kpt #: 305 total cpu time spent up to now is 618.1 secs Computing kpt #: 306 total cpu time spent up to now is 620.0 secs Computing kpt #: 307 total cpu time spent up to now is 622.0 secs Computing kpt #: 308 total cpu time spent up to now is 623.9 secs Computing kpt #: 309 total cpu time spent up to now is 625.9 secs Computing kpt #: 310 total cpu time spent up to now is 627.8 secs Computing kpt #: 311 total cpu time spent up to now is 629.9 secs Computing kpt #: 312 total cpu time spent up to now is 631.9 secs Computing kpt #: 313 total cpu time spent up to now is 634.0 secs Computing kpt #: 314 total cpu time spent up to now is 636.1 secs Computing kpt #: 315 total cpu time spent up to now is 638.1 secs ethr = 2.63E-11, avg # of iterations = 27.1 total cpu time spent up to now is 638.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3247 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8748 -8.8748 -8.8682 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4443 -8.4443 -8.3931 -8.3931 -8.3347 -8.3347 -8.2974 -8.2974 -7.9274 -7.9274 -7.4663 -7.4663 -0.9232 -0.9232 2.6779 2.6779 4.5828 4.5828 4.9337 4.9337 5.0384 5.0384 5.1991 5.1991 5.2760 5.2760 8.3634 8.3634 8.6917 8.6917 10.2838 10.2838 10.4398 10.4398 k = 0.0102-0.0207-0.0124 ( 3251 PWs) bands (ev): -8.9672 -8.9662 -8.9056 -8.9056 -8.8753 -8.8747 -8.8682 -8.8682 -8.4759 -8.4758 -8.4687 -8.4654 -8.4453 -8.4436 -8.3931 -8.3930 -8.3351 -8.3342 -8.2973 -8.2973 -7.9263 -7.9257 -7.4653 -7.4651 -0.9224 -0.9223 2.6764 2.6766 4.5741 4.5811 4.9227 4.9398 5.0295 5.0393 5.1960 5.1962 5.2720 5.2721 8.3696 8.3698 8.6999 8.7009 10.2814 10.2817 10.4373 10.4373 k = 0.0204-0.0414-0.0248 ( 3251 PWs) bands (ev): -8.9678 -8.9659 -8.9058 -8.9058 -8.8761 -8.8747 -8.8682 -8.8681 -8.4769 -8.4763 -8.4704 -8.4644 -8.4466 -8.4432 -8.3930 -8.3929 -8.3354 -8.3336 -8.2971 -8.2971 -7.9224 -7.9212 -7.4621 -7.4616 -0.9198 -0.9198 2.6720 2.6725 4.5549 4.5684 4.9067 4.9412 5.0126 5.0321 5.1863 5.1884 5.2602 5.2612 8.3881 8.3884 8.7251 8.7272 10.2731 10.2736 10.4315 10.4315 k = 0.0306-0.0621-0.0372 ( 3241 PWs) bands (ev): -8.9684 -8.9655 -8.9061 -8.9061 -8.8772 -8.8749 -8.8682 -8.8679 -8.4791 -8.4772 -8.4716 -8.4638 -8.4481 -8.4430 -8.3929 -8.3928 -8.3355 -8.3330 -8.2966 -8.2966 -7.9156 -7.9140 -7.4566 -7.4560 -0.9156 -0.9155 2.6647 2.6654 4.5244 4.5438 4.8856 4.9374 4.9886 5.0170 5.1702 5.1774 5.2415 5.2451 8.4180 8.4184 8.7663 8.7692 10.2554 10.2563 10.4267 10.4268 k = 0.0408-0.0829-0.0496 ( 3245 PWs) bands (ev): -8.9692 -8.9652 -8.9065 -8.9065 -8.8785 -8.8752 -8.8683 -8.8676 -8.4823 -8.4784 -8.4724 -8.4637 -8.4499 -8.4431 -8.3928 -8.3927 -8.3356 -8.3323 -8.2959 -8.2959 -7.9062 -7.9041 -7.4490 -7.4482 -0.9097 -0.9096 2.6544 2.6552 4.4821 4.5061 4.8589 4.9247 4.9619 4.9954 5.1483 5.1648 5.2173 5.2261 8.4579 8.4584 8.8214 8.8252 10.2255 10.2267 10.4275 10.4277 k = 0.0510-0.1036-0.0620 ( 3245 PWs) bands (ev): -8.9700 -8.9650 -8.9071 -8.9071 -8.8802 -8.8756 -8.8686 -8.8673 -8.4862 -8.4799 -8.4729 -8.4639 -8.4519 -8.4435 -8.3926 -8.3926 -8.3355 -8.3317 -8.2951 -8.2950 -7.8940 -7.8915 -7.4392 -7.4382 -0.9022 -0.9021 2.6408 2.6418 4.4273 4.4543 4.8257 4.8925 4.9434 4.9695 5.1216 5.1515 5.1896 5.2064 8.5061 8.5065 8.8880 8.8925 10.1835 10.1851 10.4357 10.4359 k = 0.0612-0.1243-0.0744 ( 3246 PWs) bands (ev): -8.9709 -8.9649 -8.9079 -8.9077 -8.8820 -8.8760 -8.8689 -8.8670 -8.4906 -8.4818 -8.4734 -8.4646 -8.4539 -8.4441 -8.3924 -8.3924 -8.3354 -8.3311 -8.2941 -8.2940 -7.8793 -7.8765 -7.4273 -7.4261 -0.8931 -0.8930 2.6237 2.6248 4.3601 4.3886 4.7845 4.8437 4.9312 4.9423 5.0918 5.1372 5.1610 5.1871 8.5605 8.5608 8.9626 8.9678 10.1331 10.1352 10.4505 10.4507 k = 0.0714-0.1450-0.0867 ( 3246 PWs) bands (ev): -8.9718 -8.9648 -8.9087 -8.9085 -8.8840 -8.8765 -8.8694 -8.8667 -8.4953 -8.4841 -8.4739 -8.4656 -8.4557 -8.4448 -8.3922 -8.3922 -8.3353 -8.3307 -8.2929 -8.2928 -7.8621 -7.8590 -7.4133 -7.4120 -0.8825 -0.8824 2.6028 2.6041 4.2811 4.3097 4.7346 4.7852 4.9156 4.9190 5.0605 5.1162 5.1387 5.1693 8.6187 8.6190 9.0408 9.0468 10.0791 10.0818 10.4708 10.4710 k = 0.0816-0.1657-0.0991 ( 3241 PWs) bands (ev): -8.9728 -8.9647 -8.9097 -8.9094 -8.8861 -8.8771 -8.8700 -8.8665 -8.5001 -8.4867 -8.4745 -8.4669 -8.4574 -8.4457 -8.3920 -8.3920 -8.3352 -8.3303 -8.2915 -8.2913 -7.8425 -7.8392 -7.3972 -7.3958 -0.8705 -0.8703 2.5777 2.5791 4.1915 4.2192 4.6771 4.7203 4.8898 4.9044 5.0289 5.0856 5.1267 5.1536 8.6785 8.6789 9.1165 9.1236 10.0280 10.0316 10.4952 10.4954 k = 0.0918-0.1864-0.1115 ( 3244 PWs) bands (ev): -8.9740 -8.9647 -8.9109 -8.9103 -8.8883 -8.8777 -8.8707 -8.8662 -8.5049 -8.4896 -8.4751 -8.4688 -8.4586 -8.4466 -8.3918 -8.3917 -8.3351 -8.3301 -8.2900 -8.2898 -7.8206 -7.8172 -7.3792 -7.3777 -0.8571 -0.8569 2.5482 2.5497 4.0928 4.1189 4.6140 4.6513 4.8639 4.8861 4.9973 5.0516 5.1196 5.1407 8.7374 8.7381 9.1814 9.1899 9.9882 9.9929 10.5229 10.5231 k = 0.1020-0.2071-0.1239 ( 3245 PWs) bands (ev): -8.9752 -8.9648 -8.9122 -8.9113 -8.8907 -8.8786 -8.8714 -8.8660 -8.5098 -8.4928 -8.4758 -8.4709 -8.4596 -8.4476 -8.3916 -8.3915 -8.3350 -8.3300 -8.2884 -8.2881 -7.7965 -7.7931 -7.3592 -7.3577 -0.8425 -0.8423 2.5138 2.5153 3.9864 4.0106 4.5474 4.5800 4.8370 4.8634 4.9658 5.0161 5.1156 5.1312 8.7930 8.7943 9.2246 9.2349 9.9704 9.9766 10.5532 10.5533 k = 0.1122-0.2279-0.1363 ( 3250 PWs) bands (ev): -8.9764 -8.9649 -8.9138 -8.9124 -8.8930 -8.8796 -8.8720 -8.8658 -8.5146 -8.4962 -8.4766 -8.4733 -8.4602 -8.4485 -8.3913 -8.3913 -8.3349 -8.3300 -8.2867 -8.2863 -7.7704 -7.7670 -7.3373 -7.3358 -0.8267 -0.8265 2.4741 2.4756 3.8740 3.8961 4.4797 4.5085 4.8083 4.8362 4.9340 4.9796 5.1144 5.1252 8.8431 8.8455 9.2366 9.2490 9.9839 9.9915 10.5854 10.5855 k = 0.1224-0.2486-0.1487 ( 3242 PWs) bands (ev): -8.9778 -8.9651 -8.9154 -8.9135 -8.8954 -8.8807 -8.8725 -8.8656 -8.5193 -8.4997 -8.4775 -8.4758 -8.4606 -8.4495 -8.3910 -8.3910 -8.3348 -8.3300 -8.2850 -8.2845 -7.7423 -7.7389 -7.3137 -7.3122 -0.8099 -0.8097 2.4289 2.4302 3.7569 3.7768 4.4126 4.4382 4.7774 4.8051 4.9014 4.9421 5.1155 5.1226 8.8852 8.8895 9.2158 9.2305 10.0306 10.0391 10.6189 10.6191 k = 0.1327-0.2693-0.1611 ( 3241 PWs) bands (ev): -8.9792 -8.9654 -8.9173 -8.9146 -8.8977 -8.8822 -8.8729 -8.8655 -8.5238 -8.5032 -8.4785 -8.4784 -8.4609 -8.4503 -8.3908 -8.3908 -8.3347 -8.3302 -8.2832 -8.2826 -7.7123 -7.7090 -7.2883 -7.2868 -0.7924 -0.7920 2.3779 2.3790 3.6363 3.6541 4.3477 4.3707 4.7444 4.7709 4.8676 4.9036 5.1184 5.1227 8.9162 8.9240 9.1696 9.1875 10.1029 10.1119 10.6532 10.6534 k = 0.1429-0.2900-0.1735 ( 3242 PWs) bands (ev): -8.9807 -8.9657 -8.9195 -8.9158 -8.8999 -8.8838 -8.8733 -8.8653 -8.5281 -8.5069 -8.4809 -8.4796 -8.4610 -8.4512 -8.3906 -8.3905 -8.3347 -8.3304 -8.2814 -8.2807 -7.6805 -7.6773 -7.2613 -7.2599 -0.7741 -0.7737 2.3208 2.3217 3.5135 3.5292 4.2860 4.3068 4.7094 4.7343 4.8323 4.8643 5.1227 5.1248 8.9313 8.9448 9.1097 9.1329 10.1906 10.2000 10.6879 10.6882 k = 0.1531-0.3107-0.1859 ( 3243 PWs) bands (ev): -8.9822 -8.9661 -8.9218 -8.9171 -8.9020 -8.8856 -8.8735 -8.8653 -8.5322 -8.5105 -8.4833 -8.4807 -8.4611 -8.4520 -8.3904 -8.3902 -8.3346 -8.3306 -8.2795 -8.2788 -7.6470 -7.6440 -7.2327 -7.2313 -0.7555 -0.7550 2.2578 2.2582 3.3895 3.4032 4.2287 4.2476 4.6728 4.6959 4.7956 4.8242 5.1277 5.1282 8.9206 8.9401 9.0547 9.0833 10.2849 10.2944 10.7223 10.7227 k = 0.1633-0.3314-0.1983 ( 3243 PWs) bands (ev): -8.9839 -8.9665 -8.9244 -8.9183 -8.9040 -8.8875 -8.8737 -8.8652 -8.5362 -8.5142 -8.4856 -8.4819 -8.4611 -8.4526 -8.3902 -8.3898 -8.3346 -8.3308 -8.2777 -8.2768 -7.6119 -7.6090 -7.2026 -7.2013 -0.7367 -0.7361 2.1889 2.1889 3.2653 3.2771 4.1762 4.1936 4.6348 4.6563 4.7577 4.7834 5.1321 5.1329 8.8751 8.8916 9.0277 9.0523 10.3792 10.3884 10.7562 10.7568 k = 0.1735-0.3522-0.2107 ( 3243 PWs) bands (ev): -8.9855 -8.9671 -8.9271 -8.9196 -8.9058 -8.8895 -8.8738 -8.8651 -8.5399 -8.5178 -8.4878 -8.4831 -8.4611 -8.4532 -8.3899 -8.3895 -8.3346 -8.3311 -8.2758 -8.2749 -7.5753 -7.5726 -7.1711 -7.1699 -0.7180 -0.7173 2.1138 2.1143 3.1416 3.1516 4.1289 4.1450 4.5958 4.6158 4.7187 4.7422 5.1358 5.1376 8.8045 8.8148 9.0162 9.0338 10.4684 10.4767 10.7890 10.7898 k = 0.1837-0.3729-0.2231 ( 3243 PWs) bands (ev): -8.9872 -8.9677 -8.9301 -8.9209 -8.9074 -8.8916 -8.8738 -8.8651 -8.5433 -8.5213 -8.4898 -8.4844 -8.4610 -8.4537 -8.3897 -8.3892 -8.3346 -8.3314 -8.2740 -8.2730 -7.5372 -7.5347 -7.1383 -7.1372 -0.6997 -0.6989 2.0334 2.0346 3.0195 3.0278 4.0870 4.1021 4.5559 4.5747 4.6788 4.7005 5.1387 5.1415 8.7230 8.7294 9.0036 9.0161 10.5481 10.5543 10.8205 10.8215 k = 0.1939-0.3936-0.2355 ( 3241 PWs) bands (ev): -8.9890 -8.9683 -8.9331 -8.9223 -8.9090 -8.8937 -8.8738 -8.8651 -8.5466 -8.5247 -8.4917 -8.4856 -8.4609 -8.4542 -8.3895 -8.3888 -8.3346 -8.3317 -8.2722 -8.2712 -7.4978 -7.4955 -7.1043 -7.1033 -0.6821 -0.6813 1.9483 1.9502 2.8996 2.9063 4.0504 4.0647 4.5156 4.5333 4.6383 4.6585 5.1403 5.1438 8.6379 8.6417 8.9856 8.9946 10.6142 10.6169 10.8504 10.8515 k = 0.2041-0.4143-0.2479 ( 3244 PWs) bands (ev): -8.9908 -8.9691 -8.9363 -8.9237 -8.9104 -8.8959 -8.8738 -8.8651 -8.5497 -8.5281 -8.4935 -8.4869 -8.4608 -8.4546 -8.3892 -8.3885 -8.3346 -8.3320 -8.2704 -8.2693 -7.4571 -7.4550 -7.0691 -7.0683 -0.6658 -0.6648 1.8591 1.8618 2.7828 2.7881 4.0188 4.0325 4.4750 4.4919 4.5975 4.6165 5.1399 5.1441 8.5525 8.5545 8.9618 8.9680 10.6609 10.6634 10.8783 10.8791 k = 0.2143-0.4350-0.2602 ( 3246 PWs) bands (ev): -8.9926 -8.9700 -8.9395 -8.9252 -8.9117 -8.8980 -8.8738 -8.8651 -8.5525 -8.5313 -8.4951 -8.4881 -8.4607 -8.4549 -8.3890 -8.3882 -8.3346 -8.3323 -8.2686 -8.2675 -7.4152 -7.4134 -7.0330 -7.0322 -0.6510 -0.6499 1.7664 1.7699 2.6700 2.6739 3.9921 4.0053 4.4344 4.4507 4.5564 4.5746 5.1369 5.1419 8.4684 8.4690 8.9327 8.9365 10.6841 10.6932 10.9039 10.9039 k = 0.2245-0.4557-0.2726 ( 3246 PWs) bands (ev): -8.9944 -8.9709 -8.9427 -8.9268 -8.9129 -8.9000 -8.8737 -8.8652 -8.5552 -8.5345 -8.4965 -8.4893 -8.4605 -8.4551 -8.3888 -8.3878 -8.3346 -8.3326 -8.2668 -8.2658 -7.3723 -7.3707 -6.9959 -6.9953 -0.6384 -0.6371 1.6710 1.6753 2.5618 2.5645 3.9696 3.9825 4.3940 4.4099 4.5154 4.5329 5.1310 5.1366 8.3863 8.3868 8.8992 8.9009 10.6869 10.7026 10.9255 10.9270 k = 0.2347-0.4764-0.2850 ( 3246 PWs) bands (ev): -8.9962 -8.9720 -8.9460 -8.9284 -8.9139 -8.9019 -8.8736 -8.8652 -8.5576 -8.5375 -8.4978 -8.4904 -8.4603 -8.4554 -8.3885 -8.3874 -8.3346 -8.3329 -8.2651 -8.2641 -7.3284 -7.3270 -6.9580 -6.9576 -0.6283 -0.6268 1.5735 1.5786 2.4592 2.4608 3.9511 3.9638 4.3540 4.3697 4.4745 4.4916 5.1216 5.1278 8.3071 8.3086 8.8619 8.8622 10.6722 10.6934 10.9433 10.9473 k = 0.2449-0.4972-0.2974 ( 3246 PWs) bands (ev): -8.9980 -8.9731 -8.9491 -8.9302 -8.9149 -8.9037 -8.8735 -8.8653 -8.5599 -8.5404 -8.4989 -8.4915 -8.4601 -8.4556 -8.3882 -8.3870 -8.3346 -8.3331 -8.2634 -8.2624 -7.2837 -7.2825 -6.9194 -6.9191 -0.6213 -0.6197 1.4746 1.4803 2.3630 2.3637 3.9360 3.9486 4.3147 4.3302 4.4340 4.4509 5.1082 5.1151 8.2320 8.2344 8.8205 8.8226 10.6444 10.6692 10.9560 10.9641 k = 0.2551-0.5179-0.3098 ( 3250 PWs) bands (ev): -8.9998 -8.9744 -8.9522 -8.9320 -8.9158 -8.9055 -8.8734 -8.8654 -8.5620 -8.5432 -8.5000 -8.4926 -8.4600 -8.4557 -8.3880 -8.3867 -8.3346 -8.3334 -8.2618 -8.2608 -7.2382 -7.2373 -6.8803 -6.8802 -0.6180 -0.6161 1.3748 1.3812 2.2740 2.2741 3.9238 3.9364 4.2761 4.2918 4.3941 4.4109 5.0905 5.0980 8.1613 8.1646 8.7773 8.7812 10.6078 10.6347 10.9601 10.9761 k = 0.2653-0.5386-0.3222 ( 3241 PWs) bands (ev): -9.0015 -8.9758 -8.9551 -8.9339 -8.9166 -8.9070 -8.8733 -8.8655 -8.5639 -8.5459 -8.5008 -8.4935 -8.4597 -8.4558 -8.3877 -8.3863 -8.3345 -8.3336 -8.2602 -8.2592 -7.1922 -7.1914 -6.8408 -6.8408 -0.6188 -0.6167 1.2748 1.2817 2.1924 2.1931 3.9141 3.9266 4.2386 4.2546 4.3548 4.3717 5.0682 5.0763 8.0953 8.0996 8.7332 8.7388 10.5659 10.5937 10.9505 10.9787 k = 0.2755-0.5593-0.3346 ( 3235 PWs) bands (ev): -9.0032 -8.9774 -8.9578 -8.9360 -8.9173 -8.9084 -8.8731 -8.8655 -8.5657 -8.5484 -8.5016 -8.4944 -8.4595 -8.4559 -8.3874 -8.3859 -8.3345 -8.3338 -8.2587 -8.2577 -7.1456 -7.1451 -6.8011 -6.8010 -0.6241 -0.6218 1.1749 1.1823 2.1198 2.1209 3.9062 3.9188 4.2024 4.2188 4.3164 4.3335 5.0412 5.0499 8.0344 8.0395 8.6888 8.6961 10.5210 10.5493 10.9279 10.9644 k = 0.2857-0.5800-0.3470 ( 3237 PWs) bands (ev): -9.0048 -8.9791 -8.9603 -8.9380 -8.9180 -8.9097 -8.8730 -8.8657 -8.5673 -8.5509 -8.5022 -8.4953 -8.4593 -8.4559 -8.3871 -8.3856 -8.3345 -8.3340 -8.2572 -8.2562 -7.0988 -7.0984 -6.7613 -6.7611 -0.6343 -0.6318 1.0758 1.0834 2.0567 2.0581 3.8996 3.9123 4.1676 4.1847 4.2789 4.2965 5.0093 5.0186 7.9784 7.9845 8.6448 8.6536 10.4752 10.5035 10.8967 10.9353 k = 0.2959-0.6007-0.3594 ( 3237 PWs) bands (ev): -9.0064 -8.9810 -8.9626 -8.9402 -8.9185 -8.9109 -8.8729 -8.8658 -8.5688 -8.5532 -8.5028 -8.4960 -8.4591 -8.4560 -8.3868 -8.3852 -8.3345 -8.3342 -8.2557 -8.2548 -7.0518 -7.0516 -6.7215 -6.7211 -0.6497 -0.6469 0.9777 0.9855 2.0036 2.0051 3.8938 3.9066 4.1345 4.1526 4.2426 4.2608 4.9725 4.9825 7.9275 7.9345 8.6016 8.6120 10.4298 10.4580 10.8603 10.8985 k = 0.3061-0.6214-0.3718 ( 3237 PWs) bands (ev): -9.0080 -8.9831 -8.9647 -8.9424 -8.9191 -8.9120 -8.8727 -8.8659 -8.5701 -8.5554 -8.5033 -8.4968 -8.4588 -8.4560 -8.3865 -8.3849 -8.3345 -8.3343 -8.2543 -8.2535 -7.0047 -7.0047 -6.6819 -6.6814 -0.6701 -0.6672 0.8812 0.8890 1.9608 1.9623 3.8881 3.9008 4.1034 4.1228 4.2075 4.2265 4.9312 4.9418 7.8814 7.8893 8.5597 8.5716 10.3857 10.4137 10.8203 10.8574 k = 0.3163-0.6422-0.3842 ( 3231 PWs) bands (ev): -9.0094 -8.9853 -8.9665 -8.9446 -8.9195 -8.9129 -8.8725 -8.8660 -8.5714 -8.5574 -8.5036 -8.4974 -8.4586 -8.4560 -8.3861 -8.3845 -8.3345 -8.3344 -8.2530 -8.2522 -6.9580 -6.9579 -6.6427 -6.6421 -0.6955 -0.6925 0.7865 0.7943 1.9283 1.9297 3.8818 3.8944 4.0746 4.0956 4.1739 4.1939 4.8857 4.8969 7.8399 7.8487 8.5196 8.5328 10.3439 10.3717 10.7781 10.8140 k = 0.3265-0.6629-0.3966 ( 3231 PWs) bands (ev): -9.0108 -8.9875 -8.9681 -8.9468 -8.9199 -8.9137 -8.8724 -8.8662 -8.5725 -8.5594 -8.5039 -8.4980 -8.4584 -8.4560 -8.3858 -8.3842 -8.3346 -8.3345 -8.2517 -8.2509 -6.9117 -6.9114 -6.6040 -6.6033 -0.7256 -0.7224 0.6942 0.7018 1.9060 1.9071 3.8742 3.8866 4.0484 4.0713 4.1420 4.1630 4.8364 4.8483 7.8027 7.8123 8.4816 8.4960 10.3047 10.3324 10.7346 10.7693 k = 0.3367-0.6836-0.4090 ( 3233 PWs) bands (ev): -9.0122 -8.9899 -8.9695 -8.9490 -8.9202 -8.9145 -8.8723 -8.8663 -8.5735 -8.5613 -8.5042 -8.4986 -8.4582 -8.4560 -8.3855 -8.3839 -8.3347 -8.3345 -8.2505 -8.2498 -6.8660 -6.8655 -6.5660 -6.5652 -0.7598 -0.7566 0.6045 0.6119 1.8934 1.8943 3.8646 3.8768 4.0249 4.0498 4.1120 4.1340 4.7840 4.7966 7.7694 7.7797 8.4460 8.4614 10.2688 10.2963 10.6906 10.7241 k = 0.3469-0.7043-0.4213 ( 3233 PWs) bands (ev): -9.0134 -8.9923 -8.9708 -8.9512 -8.9205 -8.9152 -8.8721 -8.8665 -8.5744 -8.5630 -8.5044 -8.4991 -8.4580 -8.4560 -8.3852 -8.3836 -8.3347 -8.3345 -8.2493 -8.2487 -6.8210 -6.8205 -6.5290 -6.5281 -0.7975 -0.7943 0.5178 0.5249 1.8900 1.8906 3.8527 3.8646 4.0041 4.0306 4.0843 4.1070 4.7294 4.7428 7.7395 7.7506 8.4129 8.4292 10.2364 10.2637 10.6467 10.6791 k = 0.3571-0.7250-0.4337 ( 3231 PWs) bands (ev): -9.0145 -8.9947 -8.9718 -8.9533 -8.9207 -8.9158 -8.8719 -8.8667 -8.5752 -8.5646 -8.5045 -8.4996 -8.4578 -8.4560 -8.3849 -8.3833 -8.3348 -8.3345 -8.2482 -8.2476 -6.7771 -6.7764 -6.4931 -6.4921 -0.8379 -0.8348 0.4346 0.4413 1.8951 1.8953 3.8384 3.8503 3.9856 4.0127 4.0595 4.0821 4.6736 4.6877 7.7128 7.7243 8.3826 8.3995 10.2077 10.2349 10.6035 10.6350 k = 0.3673-0.7457-0.4461 ( 3236 PWs) bands (ev): -9.0156 -8.9970 -8.9728 -8.9554 -8.9209 -8.9164 -8.8718 -8.8669 -8.5760 -8.5662 -8.5046 -8.5000 -8.4576 -8.4560 -8.3846 -8.3830 -8.3349 -8.3345 -8.2472 -8.2466 -6.7344 -6.7337 -6.4585 -6.4575 -0.8803 -0.8772 0.3552 0.3614 1.9077 1.9078 3.8220 3.8341 3.9686 3.9946 4.0380 4.0590 4.6178 4.6325 7.6888 7.7007 8.3551 8.3724 10.1827 10.2098 10.5615 10.5921 k = 0.3776-0.7665-0.4585 ( 3234 PWs) bands (ev): -9.0165 -8.9993 -8.9735 -8.9574 -8.9211 -8.9169 -8.8716 -8.8670 -8.5766 -8.5676 -8.5046 -8.5004 -8.4574 -8.4560 -8.3843 -8.3828 -8.3349 -8.3345 -8.2462 -8.2457 -6.6932 -6.6924 -6.4254 -6.4244 -0.9237 -0.9207 0.2799 0.2857 1.9268 1.9272 3.8040 3.8165 3.9526 3.9754 4.0195 4.0372 4.5633 4.5786 7.6671 7.6792 8.3305 8.3479 10.1616 10.1885 10.5212 10.5510 k = 0.3878-0.7872-0.4709 ( 3231 PWs) bands (ev): -9.0173 -9.0015 -8.9742 -8.9593 -8.9212 -8.9174 -8.8714 -8.8672 -8.5771 -8.5689 -8.5046 -8.5007 -8.4572 -8.4560 -8.3840 -8.3826 -8.3349 -8.3345 -8.2453 -8.2449 -6.6539 -6.6530 -6.3941 -6.3930 -0.9673 -0.9644 0.2091 0.2144 1.9515 1.9522 3.7849 3.7981 3.9369 3.9555 4.0024 4.0160 4.5116 4.5273 7.6476 7.6596 8.3087 8.3260 10.1442 10.1709 10.4828 10.5119 k = 0.3980-0.8079-0.4833 ( 3227 PWs) bands (ev): -9.0180 -9.0036 -8.9748 -8.9611 -8.9213 -8.9178 -8.8712 -8.8674 -8.5776 -8.5702 -8.5046 -8.5011 -8.4571 -8.4559 -8.3837 -8.3824 -8.3349 -8.3345 -8.2445 -8.2441 -6.6166 -6.6157 -6.3648 -6.3636 -1.0101 -1.0075 0.1431 0.1480 1.9809 1.9818 3.7652 3.7792 3.9217 3.9356 3.9848 3.9945 4.4643 4.4801 7.6300 7.6417 8.2897 8.3065 10.1303 10.1567 10.4468 10.4751 k = 0.4082-0.8286-0.4957 ( 3227 PWs) bands (ev): -9.0186 -9.0056 -8.9752 -8.9629 -8.9213 -8.9182 -8.8711 -8.8676 -8.5779 -8.5713 -8.5045 -8.5014 -8.4569 -8.4559 -8.3834 -8.3822 -8.3349 -8.3345 -8.2437 -8.2433 -6.5817 -6.5808 -6.3375 -6.3364 -1.0515 -1.0490 0.0823 0.0867 2.0138 2.0150 3.7451 3.7599 3.9069 3.9162 3.9657 3.9719 4.4228 4.4383 7.6141 7.6253 8.2733 8.2893 10.1197 10.1457 10.4135 10.4409 k = 0.4184-0.8493-0.5081 ( 3224 PWs) bands (ev): -9.0190 -9.0075 -8.9755 -8.9645 -8.9213 -8.9185 -8.8709 -8.8678 -8.5782 -8.5723 -8.5045 -8.5016 -8.4568 -8.4559 -8.3832 -8.3820 -8.3349 -8.3345 -8.2431 -8.2427 -6.5494 -6.5485 -6.3126 -6.3116 -1.0906 -1.0884 0.0271 0.0309 2.0490 2.0504 3.7247 3.7402 3.8927 3.8974 3.9449 3.9481 4.3880 4.4026 7.5999 7.6104 8.2594 8.2744 10.1120 10.1374 10.3831 10.4095 k = 0.4286-0.8700-0.5205 ( 3220 PWs) bands (ev): -9.0193 -9.0092 -8.9757 -8.9661 -8.9213 -8.9188 -8.8707 -8.8680 -8.5784 -8.5733 -8.5043 -8.5019 -8.4566 -8.4559 -8.3829 -8.3819 -8.3349 -8.3345 -8.2424 -8.2421 -6.5201 -6.5192 -6.2902 -6.2892 -1.1268 -1.1248 -0.0224 -0.0191 2.0853 2.0868 3.7040 3.7199 3.8791 3.8791 3.9235 3.9238 4.3602 4.3734 7.5873 7.5969 8.2478 8.2614 10.1070 10.1314 10.3559 10.3812 k = 0.4388-0.8907-0.5329 ( 3221 PWs) bands (ev): -9.0195 -9.0108 -8.9758 -8.9675 -8.9212 -8.9191 -8.8705 -8.8682 -8.5786 -8.5742 -8.5042 -8.5021 -8.4565 -8.4559 -8.3827 -8.3818 -8.3349 -8.3345 -8.2419 -8.2417 -6.4940 -6.4932 -6.2705 -6.2695 -1.1595 -1.1577 -0.0659 -0.0630 2.1214 2.1229 3.6831 3.6988 3.8611 3.8658 3.9005 3.9034 4.3389 4.3505 7.5764 7.5849 8.2383 8.2504 10.1042 10.1273 10.3322 10.3559 k = 0.4490-0.9115-0.5453 ( 3222 PWs) bands (ev): -9.0196 -9.0124 -8.9757 -8.9689 -8.9212 -8.9194 -8.8704 -8.8684 -8.5786 -8.5750 -8.5041 -8.5023 -8.4564 -8.4559 -8.3825 -8.3817 -8.3349 -8.3346 -8.2415 -8.2412 -6.4713 -6.4706 -6.2535 -6.2527 -1.1880 -1.1865 -0.1031 -0.1007 2.1557 2.1572 3.6625 3.6772 3.8438 3.8521 3.8809 3.8863 4.3233 4.3330 7.5671 7.5745 8.2308 8.2412 10.1033 10.1244 10.3123 10.3338 k = 0.4592-0.9322-0.5577 ( 3221 PWs) bands (ev): -9.0195 -9.0137 -8.9756 -8.9701 -8.9211 -8.9197 -8.8702 -8.8686 -8.5786 -8.5757 -8.5040 -8.5026 -8.4563 -8.4559 -8.3823 -8.3817 -8.3349 -8.3346 -8.2411 -8.2409 -6.4524 -6.4517 -6.2395 -6.2388 -1.2120 -1.2108 -0.1338 -0.1318 2.1869 2.1883 3.6429 3.6558 3.8282 3.8376 3.8667 3.8728 4.3124 4.3201 7.5596 7.5656 8.2250 8.2335 10.1039 10.1223 10.2963 10.3150 k = 0.4694-0.9529-0.5701 ( 3224 PWs) bands (ev): -9.0193 -9.0150 -8.9753 -8.9712 -8.9210 -8.9199 -8.8700 -8.8688 -8.5785 -8.5763 -8.5038 -8.5028 -8.4563 -8.4560 -8.3821 -8.3816 -8.3349 -8.3347 -8.2408 -8.2406 -6.4374 -6.4369 -6.2284 -6.2279 -1.2310 -1.2301 -0.1578 -0.1563 2.2133 2.2145 3.6255 3.6358 3.8156 3.8238 3.8575 3.8626 4.3051 4.3109 7.5539 7.5585 8.2210 8.2274 10.1055 10.1204 10.2844 10.2995 k = 0.4796-0.9736-0.5824 ( 3220 PWs) bands (ev): -9.0189 -9.0160 -8.9749 -8.9722 -8.9208 -8.9201 -8.8698 -8.8690 -8.5783 -8.5769 -8.5037 -8.5030 -8.4562 -8.4560 -8.3820 -8.3816 -8.3348 -8.3347 -8.2405 -8.2405 -6.4265 -6.4261 -6.2204 -6.2201 -1.2447 -1.2441 -0.1749 -0.1740 2.2336 2.2344 3.6121 3.6192 3.8069 3.8126 3.8519 3.8554 4.3008 4.3046 7.5500 7.5531 8.2184 8.2228 10.1078 10.1184 10.2769 10.2875 k = 0.4898-0.9943-0.5948 ( 3228 PWs) bands (ev): -9.0185 -9.0170 -8.9744 -8.9730 -8.9207 -8.9203 -8.8696 -8.8692 -8.5781 -8.5774 -8.5035 -8.5032 -8.4561 -8.4560 -8.3819 -8.3817 -8.3348 -8.3347 -8.2404 -8.2404 -6.4199 -6.4197 -6.2156 -6.2154 -1.2530 -1.2527 -0.1852 -0.1847 2.2464 2.2468 3.6040 3.6076 3.8022 3.8051 3.8491 3.8508 4.2987 4.3006 7.5479 7.5495 8.2174 8.2196 10.1106 10.1160 10.2735 10.2791 k = 0.5000-1.0150-0.6072 ( 3226 PWs) bands (ev): -9.0178 -9.0178 -8.9738 -8.9738 -8.9205 -8.9205 -8.8694 -8.8694 -8.5778 -8.5778 -8.5033 -8.5033 -8.4561 -8.4561 -8.3818 -8.3818 -8.3348 -8.3348 -8.2403 -8.2403 -6.4176 -6.4176 -6.2139 -6.2139 -1.2557 -1.2557 -0.1885 -0.1885 2.2509 2.2509 3.6024 3.6024 3.8016 3.8016 3.8487 3.8487 4.2987 4.2987 7.5478 7.5478 8.2178 8.2178 10.1134 10.1134 10.2743 10.2743 k = 0.5000-1.0150-0.6072 ( 3226 PWs) bands (ev): -9.0178 -9.0178 -8.9738 -8.9738 -8.9205 -8.9205 -8.8694 -8.8694 -8.5778 -8.5778 -8.5033 -8.5033 -8.4561 -8.4561 -8.3818 -8.3818 -8.3348 -8.3348 -8.2403 -8.2403 -6.4176 -6.4176 -6.2139 -6.2139 -1.2557 -1.2557 -0.1885 -0.1885 2.2509 2.2509 3.6024 3.6024 3.8016 3.8016 3.8487 3.8487 4.2987 4.2987 7.5478 7.5478 8.2178 8.2178 10.1134 10.1134 10.2743 10.2743 k = 0.5000-1.0020-0.6291 ( 3228 PWs) bands (ev): -9.0187 -9.0169 -8.9739 -8.9737 -8.9226 -8.9184 -8.8703 -8.8685 -8.5806 -8.5751 -8.5045 -8.5024 -8.4580 -8.4540 -8.3819 -8.3816 -8.3359 -8.3337 -8.2405 -8.2401 -6.4174 -6.4167 -6.2136 -6.2134 -1.2562 -1.2541 -0.1896 -0.1861 2.2503 2.2525 3.5942 3.6004 3.7765 3.8071 3.8272 3.8701 4.2971 4.3055 7.5510 7.5581 8.2188 8.2303 10.1137 10.1158 10.2743 10.2799 k = 0.5000-0.9889-0.6509 ( 3226 PWs) bands (ev): -9.0196 -9.0161 -8.9740 -8.9737 -8.9247 -8.9162 -8.8711 -8.8676 -8.5835 -8.5724 -8.5057 -8.5016 -8.4598 -8.4518 -8.3820 -8.3814 -8.3370 -8.3328 -8.2407 -8.2399 -6.4160 -6.4147 -6.2124 -6.2119 -1.2555 -1.2515 -0.1895 -0.1825 2.2507 2.2550 3.5761 3.5877 3.7415 3.7671 3.8331 3.8822 4.3008 4.3160 7.5675 7.5816 8.2330 8.2559 10.1163 10.1205 10.2803 10.2910 k = 0.5000-0.9758-0.6727 ( 3226 PWs) bands (ev): -9.0204 -9.0152 -8.9742 -8.9736 -8.9267 -8.9140 -8.8718 -8.8667 -8.5865 -8.5699 -8.5069 -8.5011 -8.4613 -8.4495 -8.3822 -8.3812 -8.3383 -8.3319 -8.2409 -8.2397 -6.4135 -6.4115 -6.2103 -6.2097 -1.2538 -1.2477 -0.1881 -0.1776 2.2519 2.2586 3.5480 3.5634 3.6970 3.7130 3.8383 3.8871 4.3093 4.3288 7.5965 7.6174 8.2597 8.2938 10.1201 10.1261 10.2936 10.3082 k = 0.5000-0.9628-0.6946 ( 3226 PWs) bands (ev): -9.0213 -9.0144 -8.9744 -8.9736 -8.9286 -8.9117 -8.8726 -8.8657 -8.5895 -8.5675 -8.5082 -8.5009 -8.4625 -8.4473 -8.3822 -8.3810 -8.3396 -8.3312 -8.2411 -8.2395 -6.4099 -6.4073 -6.2074 -6.2065 -1.2511 -1.2429 -0.1856 -0.1715 2.2537 2.2629 3.5101 3.5269 3.6433 3.6503 3.8409 3.8879 4.3210 4.3423 7.6368 7.6642 8.2976 8.3427 10.1226 10.1311 10.3152 10.3325 k = 0.5000-0.9497-0.7164 ( 3216 PWs) bands (ev): -9.0221 -9.0135 -8.9746 -8.9736 -8.9304 -8.9095 -8.8733 -8.8647 -8.5926 -8.5652 -8.5096 -8.5009 -8.4634 -8.4450 -8.3823 -8.3807 -8.3409 -8.3305 -8.2412 -8.2392 -6.4053 -6.4020 -6.2037 -6.2026 -1.2473 -1.2371 -0.1820 -0.1643 2.2559 2.2678 3.4621 3.4789 3.5781 3.5844 3.8424 3.8872 4.3342 4.3557 7.6868 7.7202 8.3451 8.4008 10.1213 10.1338 10.3462 10.3649 k = 0.5000-0.9367-0.7382 ( 3218 PWs) bands (ev): -9.0229 -9.0128 -8.9749 -8.9737 -8.9322 -8.9072 -8.8740 -8.8636 -8.5957 -8.5631 -8.5109 -8.5014 -8.4639 -8.4428 -8.3824 -8.3805 -8.3424 -8.3299 -8.2413 -8.2390 -6.3996 -6.3957 -6.1991 -6.1979 -1.2426 -1.2302 -0.1773 -0.1559 2.2582 2.2731 3.4040 3.4215 3.5028 3.5169 3.8439 3.8864 4.3478 4.3683 7.7447 7.7835 8.4000 8.4659 10.1141 10.1320 10.3863 10.4060 k = 0.5000-0.9236-0.7601 ( 3214 PWs) bands (ev): -9.0237 -9.0120 -8.9752 -8.9737 -8.9339 -8.9050 -8.8746 -8.8625 -8.5988 -8.5610 -8.5122 -8.5021 -8.4640 -8.4406 -8.3824 -8.3802 -8.3438 -8.3293 -8.2415 -8.2387 -6.3928 -6.3884 -6.1939 -6.1924 -1.2370 -1.2225 -0.1716 -0.1465 2.2599 2.2784 3.3351 3.3582 3.4229 3.4457 3.8457 3.8864 4.3608 4.3797 7.8085 7.8522 8.4599 8.5353 10.0999 10.1236 10.4343 10.4562 k = 0.5000-0.9105-0.7819 ( 3208 PWs) bands (ev): -9.0244 -9.0114 -8.9755 -8.9738 -8.9354 -8.9028 -8.8752 -8.8614 -8.6019 -8.5591 -8.5135 -8.5032 -8.4638 -8.4385 -8.3824 -8.3799 -8.3453 -8.3288 -8.2416 -8.2385 -6.3851 -6.3802 -6.1879 -6.1862 -1.2306 -1.2139 -0.1650 -0.1360 2.2605 2.2831 3.2568 3.2916 3.3398 3.3722 3.8482 3.8875 4.3725 4.3897 7.8762 7.9241 8.5217 8.6059 10.0784 10.1068 10.4883 10.5148 k = 0.5000-0.8975-0.8038 ( 3202 PWs) bands (ev): -9.0251 -9.0107 -8.9758 -8.9738 -8.9369 -8.9007 -8.8758 -8.8603 -8.6050 -8.5574 -8.5148 -8.5045 -8.4633 -8.4364 -8.3824 -8.3796 -8.3469 -8.3284 -8.2416 -8.2382 -6.3765 -6.3710 -6.1813 -6.1795 -1.2234 -1.2045 -0.1576 -0.1246 2.2591 2.2865 3.1716 3.2227 3.2552 3.2985 3.8512 3.8895 4.3828 4.3984 7.9460 7.9973 8.5824 8.6741 10.0504 10.0818 10.5460 10.5803 k = 0.5000-0.8844-0.8256 ( 3200 PWs) bands (ev): -9.0258 -9.0101 -8.9762 -8.9739 -8.9383 -8.8986 -8.8764 -8.8592 -8.6081 -8.5558 -8.5161 -8.5060 -8.4626 -8.4344 -8.3824 -8.3793 -8.3484 -8.3281 -8.2417 -8.2380 -6.3671 -6.3611 -6.1740 -6.1721 -1.2156 -1.1944 -0.1495 -0.1125 2.2546 2.2877 3.0818 3.1496 3.1740 3.2264 3.8546 3.8925 4.3912 4.4059 8.0161 8.0699 8.6387 8.7362 10.0183 10.0505 10.6058 10.6498 k = 0.5000-0.8713-0.8474 ( 3196 PWs) bands (ev): -9.0265 -9.0096 -8.9766 -8.9740 -8.9396 -8.8966 -8.8769 -8.8580 -8.6111 -8.5543 -8.5172 -8.5076 -8.4616 -8.4325 -8.3824 -8.3790 -8.3500 -8.3278 -8.2418 -8.2377 -6.3568 -6.3504 -6.1663 -6.1642 -1.2073 -1.1837 -0.1408 -0.0996 2.2456 2.2854 2.9894 3.0668 3.1051 3.1582 3.8582 3.8962 4.3976 4.4121 8.0848 8.1401 8.6875 8.7883 9.9855 10.0166 10.6679 10.7208 k = 0.5000-0.8583-0.8693 ( 3200 PWs) bands (ev): -9.0271 -9.0092 -8.9771 -8.9741 -8.9408 -8.8947 -8.8774 -8.8569 -8.6141 -8.5529 -8.5184 -8.5093 -8.4606 -8.4308 -8.3824 -8.3787 -8.3516 -8.3276 -8.2418 -8.2375 -6.3459 -6.3391 -6.1582 -6.1560 -1.1985 -1.1726 -0.1317 -0.0862 2.2307 2.2782 2.8959 2.9791 3.0473 3.0962 3.8618 3.9003 4.4020 4.4170 8.1505 8.2059 8.7259 8.8274 9.9551 9.9844 10.7344 10.7935 k = 0.5000-0.8452-0.8911 ( 3204 PWs) bands (ev): -9.0277 -9.0088 -8.9775 -8.9742 -8.9419 -8.8928 -8.8779 -8.8557 -8.6170 -8.5518 -8.5195 -8.5111 -8.4594 -8.4291 -8.3823 -8.3784 -8.3531 -8.3275 -8.2419 -8.2372 -6.3344 -6.3272 -6.1497 -6.1474 -1.1894 -1.1612 -0.1224 -0.0725 2.2086 2.2646 2.8025 2.8908 2.9995 3.0429 3.8654 3.9048 4.4044 4.4207 8.2114 8.2656 8.7525 8.8519 9.9295 9.9578 10.8078 10.8709 k = 0.5000-0.8322-0.9129 ( 3206 PWs) bands (ev): -9.0283 -9.0085 -8.9780 -8.9742 -8.9429 -8.8911 -8.8784 -8.8546 -8.6198 -8.5507 -8.5205 -8.5129 -8.4582 -8.4275 -8.3823 -8.3781 -8.3547 -8.3274 -8.2419 -8.2370 -6.3223 -6.3148 -6.1409 -6.1385 -1.1801 -1.1495 -0.1129 -0.0585 2.1784 2.2432 2.7105 2.8038 2.9627 3.0003 3.8686 3.9093 4.4047 4.4229 8.2656 8.3168 8.7674 8.8625 9.9093 9.9395 10.8892 10.9555 k = 0.5000-0.8191-0.9348 ( 3202 PWs) bands (ev): -9.0288 -9.0082 -8.9785 -8.9743 -8.9438 -8.8894 -8.8788 -8.8535 -8.6225 -8.5497 -8.5215 -8.5146 -8.4569 -8.4261 -8.3822 -8.3778 -8.3562 -8.3273 -8.2419 -8.2368 -6.3098 -6.3020 -6.1320 -6.1295 -1.1709 -1.1378 -0.1035 -0.0445 2.1401 2.2135 2.6207 2.7191 2.9375 2.9699 3.8713 3.9137 4.4030 4.4236 8.3105 8.3570 8.7726 8.8630 9.8947 9.9298 10.9773 11.0466 k = 0.5000-0.8060-0.9566 ( 3206 PWs) bands (ev): -9.0293 -9.0080 -8.9790 -8.9744 -8.9446 -8.8879 -8.8791 -8.8524 -8.6251 -8.5488 -8.5224 -8.5163 -8.4557 -8.4247 -8.3822 -8.3775 -8.3576 -8.3273 -8.2419 -8.2365 -6.2970 -6.2889 -6.1230 -6.1205 -1.1618 -1.1263 -0.0944 -0.0308 2.0947 2.1757 2.5340 2.6375 2.9240 2.9519 3.8733 3.9176 4.3994 4.4225 8.3427 8.3836 8.7718 8.8593 9.8853 9.9269 11.0659 11.1367 k = 0.5000-0.7930-0.9784 ( 3202 PWs) bands (ev): -9.0297 -9.0078 -8.9795 -8.9745 -8.9453 -8.8865 -8.8794 -8.8513 -8.6275 -8.5481 -8.5232 -8.5179 -8.4544 -8.4235 -8.3821 -8.3772 -8.3590 -8.3272 -8.2418 -8.2363 -6.2840 -6.2757 -6.1142 -6.1116 -1.1529 -1.1150 -0.0857 -0.0174 2.0438 2.1313 2.4514 2.5599 2.9212 2.9456 3.8743 3.9210 4.3937 4.4196 8.3583 8.3948 8.7698 8.8581 9.8806 9.9284 11.1395 11.2072 k = 0.5000-0.7799-1.0003 ( 3210 PWs) bands (ev): -9.0301 -9.0078 -8.9800 -8.9746 -8.9460 -8.8853 -8.8798 -8.8503 -8.6298 -8.5475 -8.5240 -8.5194 -8.4533 -8.4224 -8.3820 -8.3769 -8.3604 -8.3272 -8.2418 -8.2361 -6.2709 -6.2625 -6.1055 -6.1029 -1.1446 -1.1043 -0.0776 -0.0048 1.9895 2.0822 2.3735 2.4868 2.9278 2.9496 3.8742 3.9234 4.3859 4.4148 8.3545 8.3900 8.7715 8.8638 9.8797 9.9326 11.1795 11.2440 k = 0.5000-0.7668-1.0221 ( 3212 PWs) bands (ev): -9.0305 -9.0077 -8.9805 -8.9747 -8.9465 -8.8841 -8.8800 -8.8494 -8.6319 -8.5469 -8.5247 -8.5207 -8.4521 -8.4214 -8.3819 -8.3767 -8.3616 -8.3273 -8.2418 -8.2359 -6.2579 -6.2494 -6.0971 -6.0945 -1.1368 -1.0941 -0.0704 0.0070 1.9339 2.0306 2.3010 2.4191 2.9423 2.9621 3.8728 3.9248 4.3761 4.4079 8.3332 8.3700 8.7794 8.8769 9.8818 9.9382 11.1916 11.2531 k = 0.5000-0.7538-1.0440 ( 3212 PWs) bands (ev): -9.0308 -9.0077 -8.9810 -8.9747 -8.9470 -8.8832 -8.8802 -8.8485 -8.6338 -8.5465 -8.5253 -8.5218 -8.4511 -8.4205 -8.3818 -8.3765 -8.3628 -8.3273 -8.2417 -8.2357 -6.2452 -6.2365 -6.0891 -6.0865 -1.1297 -1.0848 -0.0642 0.0176 1.8787 1.9786 2.2347 2.3571 2.9633 2.9818 3.8697 3.9248 4.3640 4.3988 8.2991 8.3372 8.7934 8.8951 9.8864 9.9447 11.1904 11.2483 k = 0.5000-0.7407-1.0658 ( 3210 PWs) bands (ev): -9.0311 -9.0077 -8.9814 -8.9748 -8.9474 -8.8825 -8.8802 -8.8477 -8.6356 -8.5461 -8.5259 -8.5228 -8.4502 -8.4197 -8.3817 -8.3763 -8.3638 -8.3274 -8.2416 -8.2356 -6.2327 -6.2240 -6.0818 -6.0791 -1.1235 -1.0765 -0.0590 0.0268 1.8257 1.9280 2.1750 2.3016 2.9898 3.0073 3.8648 3.9233 4.3497 4.3875 8.2574 8.2959 8.8110 8.9157 9.8935 9.9523 11.1841 11.2385 k = 0.5000-0.7276-1.0876 ( 3212 PWs) bands (ev): -9.0314 -9.0078 -8.9818 -8.9749 -8.9478 -8.8821 -8.8800 -8.8470 -8.6371 -8.5459 -8.5265 -8.5237 -8.4493 -8.4190 -8.3815 -8.3762 -8.3647 -8.3274 -8.2416 -8.2354 -6.2209 -6.2121 -6.0751 -6.0725 -1.1183 -1.0692 -0.0551 0.0346 1.7760 1.8802 2.1226 2.2528 3.0206 3.0377 3.8579 3.9200 4.3332 4.3738 8.2119 8.2499 8.8299 8.9365 9.9031 9.9612 11.1771 11.2280 k = 0.5000-0.7146-1.1095 ( 3208 PWs) bands (ev): -9.0316 -9.0079 -8.9821 -8.9750 -8.9481 -8.8819 -8.8796 -8.8463 -8.6385 -8.5456 -8.5270 -8.5243 -8.4486 -8.4184 -8.3814 -8.3761 -8.3655 -8.3274 -8.2415 -8.2353 -6.2097 -6.2008 -6.0694 -6.0667 -1.1141 -1.0632 -0.0523 0.0407 1.7307 1.8363 2.0778 2.2113 3.0550 3.0720 3.8488 3.9147 4.3144 4.3578 8.1656 8.2026 8.8482 8.9560 9.9155 9.9721 11.1714 11.2192 k = 0.5000-0.7015-1.1313 ( 3210 PWs) bands (ev): -9.0318 -9.0079 -8.9825 -8.9751 -8.9483 -8.8819 -8.8792 -8.8458 -8.6397 -8.5455 -8.5275 -8.5248 -8.4480 -8.4180 -8.3813 -8.3760 -8.3661 -8.3275 -8.2415 -8.2351 -6.1993 -6.1905 -6.0646 -6.0619 -1.1109 -1.0584 -0.0506 0.0452 1.6907 1.7973 2.0410 2.1772 3.0922 3.1098 3.8373 3.9073 4.2933 4.3395 8.1205 8.1563 8.8648 8.9733 9.9311 9.9854 11.1681 11.2131 k = 0.5000-0.6885-1.1531 ( 3206 PWs) bands (ev): -9.0319 -9.0080 -8.9827 -8.9752 -8.9485 -8.8819 -8.8788 -8.8454 -8.6406 -8.5454 -8.5278 -8.5252 -8.4474 -8.4175 -8.3812 -8.3760 -8.3667 -8.3275 -8.2414 -8.2351 -6.1900 -6.1812 -6.0610 -6.0583 -1.1087 -1.0548 -0.0500 0.0482 1.6567 1.7639 2.0124 2.1506 3.1317 3.1503 3.8234 3.8978 4.2702 4.3188 8.0783 8.1126 8.8794 8.9881 9.9500 10.0018 11.1677 11.2101 k = 0.5000-0.6754-1.1750 ( 3204 PWs) bands (ev): -9.0320 -9.0081 -8.9829 -8.9752 -8.9486 -8.8819 -8.8785 -8.8450 -8.6414 -8.5453 -8.5281 -8.5254 -8.4471 -8.4172 -8.3811 -8.3760 -8.3671 -8.3275 -8.2414 -8.2350 -6.1818 -6.1730 -6.0586 -6.0559 -1.1075 -1.0525 -0.0502 0.0496 1.6290 1.7365 1.9920 2.1318 3.1726 3.1930 3.8070 3.8860 4.2450 4.2959 8.0400 8.0729 8.8918 9.0005 9.9724 10.0214 11.1701 11.2103 k = 0.5000-0.6623-1.1968 ( 3206 PWs) bands (ev): -9.0320 -9.0081 -8.9831 -8.9753 -8.9487 -8.8820 -8.8782 -8.8448 -8.6420 -8.5453 -8.5283 -8.5256 -8.4468 -8.4171 -8.3810 -8.3761 -8.3673 -8.3276 -8.2413 -8.2349 -6.1750 -6.1663 -6.0577 -6.0550 -1.1071 -1.0513 -0.0509 0.0500 1.6081 1.7157 1.9799 2.1205 3.2143 3.2373 3.7882 3.8721 4.2179 4.2710 8.0065 8.0378 8.9022 9.0106 9.9981 10.0444 11.1753 11.2135 k = 0.5000-0.6493-1.2186 ( 3206 PWs) bands (ev): -9.0320 -9.0081 -8.9832 -8.9753 -8.9487 -8.8820 -8.8781 -8.8447 -8.6424 -8.5453 -8.5284 -8.5257 -8.4467 -8.4169 -8.3809 -8.3761 -8.3675 -8.3276 -8.2413 -8.2349 -6.1698 -6.1611 -6.0583 -6.0556 -1.1073 -1.0510 -0.0518 0.0495 1.5941 1.7015 1.9758 2.1168 3.2560 3.2823 3.7674 3.8566 4.1893 4.2442 7.9784 8.0081 8.9112 9.0191 10.0269 10.0707 11.1830 11.2195 k = 0.5000-0.6362-1.2405 ( 3208 PWs) bands (ev): -9.0320 -9.0081 -8.9833 -8.9753 -8.9487 -8.8820 -8.8781 -8.8447 -8.6426 -8.5453 -8.5283 -8.5257 -8.4466 -8.4169 -8.3809 -8.3762 -8.3675 -8.3276 -8.2413 -8.2349 -6.1663 -6.1576 -6.0606 -6.0578 -1.1079 -1.0514 -0.0525 0.0485 1.5872 1.6942 1.9796 2.1203 3.2965 3.3270 3.7452 3.8400 4.1593 4.2158 7.9560 7.9843 8.9191 9.0265 10.0585 10.1002 11.1927 11.2280 k = 0.5000-0.6231-1.2623 ( 3206 PWs) bands (ev): -9.0319 -9.0081 -8.9834 -8.9752 -8.9487 -8.8820 -8.8781 -8.8447 -8.6426 -8.5454 -8.5282 -8.5257 -8.4467 -8.4170 -8.3809 -8.3762 -8.3675 -8.3276 -8.2413 -8.2349 -6.1646 -6.1560 -6.0647 -6.0618 -1.1087 -1.0523 -0.0526 0.0477 1.5873 1.6937 1.9908 2.1309 3.3341 3.3695 3.7229 3.8235 4.1284 4.1865 7.9397 7.9664 8.9267 9.0334 10.0924 10.1323 11.2042 11.2385 k = 0.5000-0.6101-1.2841 ( 3206 PWs) bands (ev): -9.0318 -9.0080 -8.9833 -8.9751 -8.9486 -8.8820 -8.8783 -8.8449 -8.6424 -8.5454 -8.5280 -8.5256 -8.4469 -8.4171 -8.3810 -8.3762 -8.3673 -8.3276 -8.2413 -8.2349 -6.1649 -6.1564 -6.0706 -6.0677 -1.1092 -1.0532 -0.0516 0.0475 1.5944 1.7000 2.0092 2.1481 3.3668 3.4069 3.7029 3.8084 4.0974 4.1567 7.9295 7.9549 8.9344 9.0404 10.1280 10.1667 11.2171 11.2509 k = 0.8211-0.5353-1.1448 ( 3206 PWs) bands (ev): -9.0318 -9.0080 -8.9833 -8.9751 -8.9486 -8.8820 -8.8783 -8.8449 -8.6424 -8.5454 -8.5280 -8.5256 -8.4469 -8.4171 -8.3810 -8.3762 -8.3673 -8.3276 -8.2413 -8.2349 -6.1649 -6.1564 -6.0706 -6.0677 -1.1092 -1.0532 -0.0516 0.0475 1.5944 1.7000 2.0092 2.1481 3.3668 3.4069 3.7029 3.8084 4.0974 4.1567 7.9295 7.9549 8.9344 9.0404 10.1280 10.1667 11.2171 11.2509 k = 0.8151-0.5232-1.1223 ( 3202 PWs) bands (ev): -9.0316 -9.0078 -8.9833 -8.9748 -8.9485 -8.8819 -8.8785 -8.8451 -8.6421 -8.5454 -8.5277 -8.5254 -8.4472 -8.4173 -8.3810 -8.3762 -8.3671 -8.3276 -8.2414 -8.2350 -6.1675 -6.1591 -6.0788 -6.0757 -1.1093 -1.0540 -0.0489 0.0486 1.6088 1.7134 2.0350 2.1724 3.3921 3.4346 3.6893 3.7965 4.0662 4.1269 7.9256 7.9495 8.9430 9.0483 10.1659 10.2039 11.2316 11.2652 k = 0.8092-0.5112-1.0998 ( 3204 PWs) bands (ev): -9.0313 -9.0075 -8.9832 -8.9746 -8.9483 -8.8818 -8.8789 -8.8454 -8.6416 -8.5454 -8.5273 -8.5251 -8.4475 -8.4176 -8.3811 -8.3762 -8.3668 -8.3275 -8.2415 -8.2351 -6.1726 -6.1643 -6.0891 -6.0859 -1.1085 -1.0541 -0.0441 0.0514 1.6302 1.7337 2.0674 2.2030 3.4057 3.4449 3.6877 3.7895 4.0379 4.0998 7.9281 7.9509 8.9528 9.0575 10.2045 10.2421 11.2471 11.2807 k = 0.8032-0.4991-1.0773 ( 3196 PWs) bands (ev): -9.0310 -9.0072 -8.9830 -8.9742 -8.9482 -8.8817 -8.8792 -8.8458 -8.6409 -8.5454 -8.5268 -8.5248 -8.4480 -8.4179 -8.3813 -8.3762 -8.3664 -8.3275 -8.2416 -8.2353 -6.1802 -6.1719 -6.1016 -6.0983 -1.1063 -1.0532 -0.0366 0.0566 1.6582 1.7605 2.1057 2.2395 3.4055 3.4349 3.6981 3.7864 4.0160 4.0786 7.9370 7.9588 8.9640 9.0683 10.2430 10.2808 11.2633 11.2972 k = 0.7973-0.4870-1.0548 ( 3194 PWs) bands (ev): -9.0306 -9.0068 -8.9829 -8.9737 -8.9480 -8.8816 -8.8797 -8.8462 -8.6401 -8.5454 -8.5263 -8.5245 -8.4484 -8.4184 -8.3814 -8.3762 -8.3659 -8.3275 -8.2417 -8.2355 -6.1904 -6.1823 -6.1163 -6.1128 -1.1026 -1.0509 -0.0261 0.0646 1.6926 1.7936 2.1496 2.2814 3.3915 3.4089 3.7122 3.7817 4.0062 4.0678 7.9520 7.9730 8.9769 9.0809 10.2808 10.3191 11.2802 11.3146 k = 0.7913-0.4749-1.0323 ( 3204 PWs) bands (ev): -9.0302 -9.0063 -8.9827 -8.9731 -8.9477 -8.8815 -8.8803 -8.8468 -8.6391 -8.5454 -8.5257 -8.5241 -8.4490 -8.4189 -8.3816 -8.3763 -8.3654 -8.3274 -8.2419 -8.2357 -6.2033 -6.1953 -6.1333 -6.1296 -1.0970 -1.0469 -0.0121 0.0760 1.7330 1.8326 2.1985 2.3283 3.3659 3.3727 3.7187 3.7686 4.0144 4.0727 7.9729 7.9934 8.9917 9.0955 10.3174 10.3564 11.2976 11.3326 k = 0.7854-0.4629-1.0099 ( 3202 PWs) bands (ev): -9.0297 -9.0056 -8.9825 -8.9724 -8.9475 -8.8814 -8.8808 -8.8473 -8.6380 -8.5453 -8.5250 -8.5237 -8.4496 -8.4194 -8.3818 -8.3764 -8.3648 -8.3274 -8.2421 -8.2361 -6.2190 -6.2111 -6.1526 -6.1487 -1.0892 -1.0408 0.0058 0.0911 1.7791 1.8772 2.2519 2.3798 3.3294 3.3326 3.7107 3.7447 4.0417 4.0951 7.9994 8.0196 9.0084 9.1122 10.3519 10.3920 11.3155 11.3512 k = 0.7794-0.4508-0.9874 ( 3204 PWs) bands (ev): -9.0292 -9.0049 -8.9822 -8.9715 -8.9472 -8.8815 -8.8812 -8.8479 -8.6368 -8.5453 -8.5243 -8.5232 -8.4502 -8.4200 -8.3821 -8.3765 -8.3642 -8.3273 -8.2424 -8.2364 -6.2375 -6.2297 -6.1741 -6.1700 -1.0789 -1.0324 0.0277 0.1103 1.8304 1.9271 2.3095 2.4356 3.2837 3.2922 3.6882 3.7119 4.0845 4.1329 8.0311 8.0513 9.0269 9.1309 10.3840 10.4252 11.3339 11.3702 k = 0.7735-0.4387-0.9649 ( 3212 PWs) bands (ev): -9.0286 -9.0040 -8.9820 -8.9706 -8.9469 -8.8822 -8.8810 -8.8485 -8.6354 -8.5452 -8.5236 -8.5226 -8.4509 -8.4207 -8.3823 -8.3767 -8.3635 -8.3273 -8.2427 -8.2368 -6.2587 -6.2511 -6.1978 -6.1935 -1.0661 -1.0215 0.0539 0.1337 1.8866 1.9818 2.3706 2.4952 3.2357 3.2481 3.6549 3.6733 4.1377 4.1817 8.0678 8.0881 9.0470 9.1515 10.4129 10.4554 11.3528 11.3895 k = 0.7675-0.4267-0.9424 ( 3210 PWs) bands (ev): -9.0279 -9.0030 -8.9817 -8.9695 -8.9465 -8.8829 -8.8808 -8.8492 -8.6339 -8.5450 -8.5228 -8.5221 -8.4516 -8.4214 -8.3825 -8.3769 -8.3627 -8.3273 -8.2431 -8.2373 -6.2826 -6.2751 -6.2237 -6.2191 -1.0506 -1.0080 0.0846 0.1617 1.9473 2.0411 2.4349 2.5584 3.1868 3.2017 3.6149 3.6307 4.1979 4.2380 8.1090 8.1297 9.0686 9.1737 10.4383 10.4821 11.3722 11.4091 k = 0.7616-0.4146-0.9199 ( 3206 PWs) bands (ev): -9.0271 -9.0018 -8.9813 -8.9682 -8.9462 -8.8837 -8.8806 -8.8498 -8.6323 -8.5449 -8.5220 -8.5214 -8.4523 -8.4222 -8.3828 -8.3772 -8.3619 -8.3273 -8.2435 -8.2378 -6.3090 -6.3017 -6.2517 -6.2469 -1.0324 -0.9918 0.1200 0.1943 2.0123 2.1045 2.5018 2.6247 3.1382 3.1540 3.5708 3.5852 4.2625 4.2994 8.1543 8.1755 9.0913 9.1972 10.4598 10.5049 11.3922 11.4288 k = 0.7557-0.4025-0.8974 ( 3208 PWs) bands (ev): -9.0263 -9.0005 -8.9809 -8.9668 -8.9457 -8.8845 -8.8804 -8.8505 -8.6307 -8.5447 -8.5212 -8.5207 -8.4530 -8.4230 -8.3831 -8.3774 -8.3611 -8.3272 -8.2440 -8.2384 -6.3380 -6.3308 -6.2818 -6.2767 -1.0115 -0.9730 0.1600 0.2317 2.0810 2.1718 2.5707 2.6938 3.0908 3.1062 3.5243 3.5379 4.3302 4.3644 8.2032 8.2251 9.1149 9.2217 10.4771 10.5234 11.4126 11.4482 k = 0.7497-0.3905-0.8749 ( 3208 PWs) bands (ev): -9.0255 -8.9991 -8.9805 -8.9653 -8.9453 -8.8853 -8.8802 -8.8512 -8.6289 -8.5444 -8.5204 -8.5200 -8.4536 -8.4239 -8.3833 -8.3777 -8.3603 -8.3272 -8.2445 -8.2390 -6.3693 -6.3622 -6.3138 -6.3085 -0.9879 -0.9516 0.2047 0.2738 2.1532 2.2424 2.6406 2.7653 3.0460 3.0590 3.4767 3.4894 4.4000 4.4319 8.2554 8.2781 9.1388 9.2467 10.4902 10.5376 11.4331 11.4668 k = 0.7438-0.3784-0.8524 ( 3208 PWs) bands (ev): -9.0245 -8.9975 -8.9801 -8.9637 -8.9448 -8.8861 -8.8800 -8.8519 -8.6270 -8.5442 -8.5197 -8.5191 -8.4543 -8.4248 -8.3836 -8.3780 -8.3594 -8.3272 -8.2451 -8.2397 -6.4027 -6.3957 -6.3477 -6.3421 -0.9619 -0.9277 0.2542 0.3207 2.2285 2.3161 2.7095 2.8386 3.0060 3.0132 3.4288 3.4405 4.4714 4.5012 8.3104 8.3339 9.1628 9.2719 10.4989 10.5476 11.4527 11.4828 k = 0.7378-0.3663-0.8299 ( 3210 PWs) bands (ev): -9.0235 -8.9958 -8.9796 -8.9620 -8.9443 -8.8869 -8.8798 -8.8526 -8.6250 -8.5438 -8.5190 -8.5182 -8.4550 -8.4258 -8.3839 -8.3784 -8.3586 -8.3272 -8.2457 -8.2405 -6.4382 -6.4312 -6.3833 -6.3776 -0.9337 -0.9016 0.3082 0.3722 2.3065 2.3921 2.7726 2.9126 2.9692 2.9770 3.3816 3.3921 4.5438 4.5718 8.3676 8.3920 9.1863 9.2967 10.5036 10.5534 11.4667 11.4926 k = 0.7319-0.3542-0.8074 ( 3206 PWs) bands (ev): -9.0224 -8.9939 -8.9791 -8.9601 -8.9437 -8.8877 -8.8796 -8.8533 -8.6229 -8.5435 -8.5183 -8.5171 -8.4556 -8.4268 -8.3842 -8.3787 -8.3577 -8.3272 -8.2463 -8.2413 -6.4755 -6.4686 -6.4206 -6.4147 -0.9034 -0.8734 0.3667 0.4283 2.3867 2.4696 2.8164 2.9282 2.9640 2.9940 3.3365 3.3454 4.6169 4.6434 8.4266 8.4520 9.2089 9.3207 10.5045 10.5554 11.4556 11.4986 k = 0.7259-0.3422-0.7850 ( 3208 PWs) bands (ev): -9.0213 -8.9919 -8.9786 -8.9581 -8.9430 -8.8886 -8.8794 -8.8540 -8.6208 -8.5431 -8.5176 -8.5161 -8.4563 -8.4278 -8.3845 -8.3791 -8.3569 -8.3272 -8.2470 -8.2422 -6.5144 -6.5075 -6.4594 -6.4533 -0.8714 -0.8435 0.4295 0.4888 2.4684 2.5469 2.8257 2.8907 2.9974 3.0647 3.2964 3.3031 4.6904 4.7154 8.4867 8.5132 9.2303 9.3433 10.5019 10.5541 11.4182 11.4943 k = 0.7200-0.3301-0.7625 ( 3214 PWs) bands (ev): -9.0201 -8.9898 -8.9780 -8.9560 -8.9424 -8.8894 -8.8792 -8.8547 -8.6185 -8.5426 -8.5169 -8.5150 -8.4569 -8.4288 -8.3848 -8.3795 -8.3560 -8.3272 -8.2478 -8.2432 -6.5548 -6.5479 -6.4996 -6.4932 -0.8381 -0.8122 0.4965 0.5535 2.5506 2.6198 2.8189 2.8577 3.0465 3.1261 3.2679 3.2747 4.7640 4.7878 8.5474 8.5750 9.2499 9.3642 10.4963 10.5499 11.3738 11.4638 k = 0.7140-0.3180-0.7400 ( 3218 PWs) bands (ev): -9.0188 -8.9875 -8.9774 -8.9538 -8.9416 -8.8902 -8.8790 -8.8553 -8.6162 -8.5421 -8.5162 -8.5139 -8.4575 -8.4299 -8.3852 -8.3800 -8.3552 -8.3272 -8.2487 -8.2443 -6.5964 -6.5894 -6.5409 -6.5344 -0.8038 -0.7800 0.5673 0.6220 2.6308 2.6759 2.8238 2.8326 3.0808 3.1472 3.2652 3.2922 4.8376 4.8602 8.6081 8.6369 9.2674 9.3828 10.4883 10.5433 11.3292 11.4207 k = 0.7081-0.3060-0.7175 ( 3228 PWs) bands (ev): -9.0175 -8.9850 -8.9768 -8.9515 -8.9408 -8.8909 -8.8788 -8.8560 -8.6138 -8.5415 -8.5155 -8.5127 -8.4580 -8.4310 -8.3855 -8.3804 -8.3544 -8.3273 -8.2496 -8.2454 -6.6391 -6.6321 -6.5833 -6.5766 -0.7690 -0.7472 0.6417 0.6942 2.6896 2.7106 2.8137 2.8702 3.0812 3.1284 3.3039 3.3551 4.9109 4.9323 8.6681 8.6983 9.2824 9.3987 10.4782 10.5349 11.2863 11.3755 k = 0.7021-0.2939-0.6950 ( 3230 PWs) bands (ev): -9.0161 -8.9824 -8.9762 -8.9491 -8.9399 -8.8917 -8.8787 -8.8566 -8.6112 -8.5409 -8.5147 -8.5115 -8.4586 -8.4321 -8.3858 -8.3808 -8.3536 -8.3273 -8.2505 -8.2466 -6.6828 -6.6755 -6.6266 -6.6197 -0.7342 -0.7142 0.7193 0.7695 2.6906 2.7463 2.8307 2.9382 3.0632 3.1047 3.3698 3.4325 4.9837 5.0040 8.7268 8.7585 9.2948 9.4117 10.4665 10.5251 11.2458 11.3312 k = 0.6962-0.2818-0.6725 ( 3232 PWs) bands (ev): -9.0146 -8.9797 -8.9755 -8.9466 -8.9389 -8.8923 -8.8785 -8.8572 -8.6086 -8.5401 -8.5140 -8.5102 -8.4590 -8.4332 -8.3862 -8.3813 -8.3527 -8.3274 -8.2515 -8.2478 -6.7271 -6.7197 -6.6706 -6.6636 -0.6996 -0.6816 0.7996 0.8476 2.6829 2.7467 2.8752 2.9938 3.0598 3.0996 3.4466 3.5143 5.0558 5.0751 8.7836 8.8170 9.3043 9.4213 10.4536 10.5142 11.2079 11.2888 k = 0.6903-0.2698-0.6500 ( 3226 PWs) bands (ev): -9.0131 -8.9769 -8.9749 -8.9441 -8.9378 -8.8929 -8.8783 -8.8578 -8.6059 -8.5393 -8.5132 -8.5089 -8.4595 -8.4343 -8.3865 -8.3817 -8.3519 -8.3274 -8.2525 -8.2491 -6.7720 -6.7644 -6.7151 -6.7079 -0.6660 -0.6497 0.8821 0.9279 2.6761 2.7418 2.8983 2.9876 3.1098 3.1434 3.5279 3.5980 5.1271 5.1454 8.8379 8.8731 9.3107 9.4273 10.4396 10.5023 11.1730 11.2487 k = 0.6843-0.2577-0.6275 ( 3224 PWs) bands (ev): -9.0115 -8.9742 -8.9739 -8.9415 -8.9367 -8.8935 -8.8781 -8.8584 -8.6031 -8.5384 -8.5124 -8.5075 -8.4599 -8.4354 -8.3868 -8.3822 -8.3511 -8.3274 -8.2536 -8.2505 -6.8173 -6.8094 -6.7601 -6.7526 -0.6336 -0.6190 0.9661 1.0096 2.6727 2.7403 2.8939 2.9655 3.1779 3.2250 3.6114 3.6823 5.1973 5.2146 8.8892 8.9264 9.3138 9.4294 10.4247 10.4895 11.1412 11.2112 k = 0.6784-0.2456-0.6050 ( 3224 PWs) bands (ev): -9.0099 -8.9735 -8.9709 -8.9388 -8.9354 -8.8940 -8.8780 -8.8589 -8.6002 -8.5374 -8.5116 -8.5061 -8.4602 -8.4366 -8.3871 -8.3826 -8.3504 -8.3274 -8.2547 -8.2519 -6.8628 -6.8546 -6.8053 -6.7975 -0.6028 -0.5899 1.0509 1.0920 2.6734 2.7437 2.8790 2.9458 3.2592 3.3145 3.6957 3.7669 5.2664 5.2827 8.9371 8.9764 9.3136 9.4273 10.4089 10.4756 11.1127 11.1765 k = 0.6724-0.2336-0.5825 ( 3218 PWs) bands (ev): -9.0082 -8.9729 -8.9677 -8.9362 -8.9339 -8.8944 -8.8778 -8.8594 -8.5971 -8.5363 -8.5107 -8.5046 -8.4605 -8.4377 -8.3874 -8.3831 -8.3496 -8.3275 -8.2559 -8.2534 -6.9084 -6.8998 -6.8506 -6.8425 -0.5742 -0.5628 1.1354 1.1740 2.6784 2.7520 2.8648 2.9327 3.3468 3.4061 3.7803 3.8511 5.3341 5.3495 8.9813 9.0227 9.3100 9.4207 10.3918 10.4601 11.0878 11.1446 k = 0.6665-0.2215-0.5600 ( 3226 PWs) bands (ev): -9.0065 -8.9723 -8.9645 -8.9339 -8.9322 -8.8947 -8.8777 -8.8599 -8.5940 -8.5351 -8.5099 -8.5032 -8.4608 -8.4388 -8.3878 -8.3835 -8.3489 -8.3276 -8.2571 -8.2550 -6.9540 -6.9449 -6.8958 -6.8874 -0.5479 -0.5380 1.2185 1.2545 2.6874 2.7639 2.8578 2.9288 3.4371 3.4983 3.8646 3.9348 5.4004 5.4148 9.0216 9.0648 9.3031 9.4094 10.3732 10.4426 11.0665 11.1157 k = 0.6605-0.2094-0.5376 ( 3230 PWs) bands (ev): -9.0048 -8.9716 -8.9612 -8.9318 -8.9301 -8.8949 -8.8776 -8.8604 -8.5908 -8.5338 -8.5089 -8.5016 -8.4611 -8.4399 -8.3881 -8.3840 -8.3482 -8.3276 -8.2584 -8.2566 -6.9993 -6.9897 -6.9408 -6.9320 -0.5243 -0.5157 1.2989 1.3320 2.7007 2.7771 2.8634 2.9357 3.5284 3.5905 3.9483 4.0176 5.4650 5.4784 9.0581 9.1022 9.2932 9.3931 10.3527 10.4226 11.0487 11.0900 k = 0.6546-0.1973-0.5151 ( 3232 PWs) bands (ev): -9.0030 -8.9710 -8.9579 -8.9300 -8.9277 -8.8949 -8.8775 -8.8608 -8.5874 -8.5324 -8.5079 -8.5001 -8.4613 -8.4409 -8.3884 -8.3845 -8.3475 -8.3277 -8.2598 -8.2583 -7.0442 -7.0341 -6.9855 -6.9762 -0.5036 -0.4962 1.3748 1.4049 2.7187 2.7909 2.8845 2.9548 3.6198 3.6821 4.0310 4.0992 5.5279 5.5403 9.0908 9.1337 9.2817 9.3716 10.3299 10.3998 11.0338 11.0673 k = 0.6486-0.1853-0.4926 ( 3238 PWs) bands (ev): -9.0012 -8.9704 -8.9546 -8.9282 -8.9252 -8.8947 -8.8774 -8.8612 -8.5840 -8.5309 -8.5068 -8.4984 -8.4614 -8.4419 -8.3887 -8.3849 -8.3469 -8.3278 -8.2612 -8.2599 -7.0887 -7.0781 -7.0297 -7.0199 -0.4858 -0.4795 1.4447 1.4714 2.7431 2.8088 2.9199 2.9859 3.7106 3.7726 4.1124 4.1793 5.5888 5.6003 9.1191 9.1564 9.2719 9.3450 10.3044 10.3737 11.0212 11.0474 k = 0.6427-0.1732-0.4701 ( 3236 PWs) bands (ev): -8.9993 -8.9699 -8.9512 -8.9264 -8.9228 -8.8944 -8.8773 -8.8616 -8.5804 -8.5291 -8.5057 -8.4968 -8.4615 -8.4429 -8.3890 -8.3854 -8.3462 -8.3279 -8.2628 -8.2616 -7.1326 -7.1213 -7.0733 -7.0630 -0.4709 -0.4656 1.5067 1.5300 2.7758 2.8354 2.9669 3.0286 3.8004 3.8618 4.1923 4.2578 5.6478 5.6583 9.1388 9.1675 9.2700 9.3147 10.2759 10.3445 11.0097 11.0299 k = 0.6367-0.1611-0.4476 ( 3238 PWs) bands (ev): -8.9975 -8.9693 -8.9478 -8.9245 -8.9205 -8.8938 -8.8773 -8.8619 -8.5766 -8.5273 -8.5045 -8.4951 -8.4616 -8.4439 -8.3893 -8.3858 -8.3456 -8.3280 -8.2645 -8.2632 -7.1757 -7.1639 -7.1162 -7.1053 -0.4591 -0.4546 1.5595 1.5793 2.8191 2.8737 3.0234 3.0817 3.8887 3.9492 4.2704 4.3343 5.7047 5.7142 9.1332 9.1781 9.2665 9.2961 10.2442 10.3121 10.9981 11.0136 k = 0.6308-0.1491-0.4251 ( 3240 PWs) bands (ev): -8.9956 -8.9688 -8.9445 -8.9227 -8.9183 -8.8930 -8.8772 -8.8623 -8.5727 -8.5252 -8.5032 -8.4933 -8.4616 -8.4448 -8.3896 -8.3862 -8.3450 -8.3282 -8.2663 -8.2648 -7.2180 -7.2056 -7.1582 -7.1468 -0.4500 -0.4463 1.6021 1.6185 2.8742 2.9255 3.0886 3.1444 3.9752 4.0345 4.3465 4.4087 5.7593 5.7679 9.1040 9.1794 9.2469 9.3116 10.2095 10.2768 10.9849 10.9971 k = 0.6249-0.1370-0.4026 ( 3244 PWs) bands (ev): -8.9937 -8.9683 -8.9413 -8.9208 -8.9162 -8.8919 -8.8771 -8.8626 -8.5687 -8.5230 -8.5018 -8.4916 -8.4615 -8.4456 -8.3899 -8.3866 -8.3445 -8.3283 -8.2682 -8.2664 -7.2594 -7.2463 -7.1992 -7.1873 -0.4437 -0.4406 1.6344 1.6477 2.9418 2.9910 3.1614 3.2156 4.0595 4.1175 4.4203 4.4807 5.8117 5.8193 9.0623 9.1452 9.2525 9.3357 10.1717 10.2391 10.9675 10.9796 k = 0.6189-0.1249-0.3801 ( 3242 PWs) bands (ev): -8.9919 -8.9679 -8.9381 -8.9191 -8.9142 -8.8906 -8.8771 -8.8629 -8.5645 -8.5206 -8.5003 -8.4898 -8.4614 -8.4464 -8.3901 -8.3871 -8.3439 -8.3285 -8.2702 -8.2680 -7.2997 -7.2860 -7.2392 -7.2267 -0.4398 -0.4373 1.6570 1.6675 3.0216 3.0696 3.2413 3.2945 4.1413 4.1977 4.4917 4.5501 5.8616 5.8683 9.0117 9.0899 9.2718 9.3621 10.1312 10.1993 10.9441 10.9594 k = 0.6130-0.1129-0.3576 ( 3244 PWs) bands (ev): -8.9900 -8.9674 -8.9350 -8.9175 -8.9121 -8.8891 -8.8770 -8.8631 -8.5602 -8.5180 -8.4988 -8.4880 -8.4613 -8.4471 -8.3904 -8.3875 -8.3435 -8.3287 -8.2722 -8.2697 -7.3388 -7.3245 -7.2780 -7.2650 -0.4382 -0.4361 1.6709 1.6791 3.1125 3.1603 3.3276 3.3803 4.2203 4.2751 4.5605 4.6168 5.9091 5.9149 8.9534 9.0248 9.2940 9.3892 10.0884 10.1580 10.9147 10.9344 k = 0.6070-0.1008-0.3351 ( 3246 PWs) bands (ev): -8.9882 -8.9670 -8.9320 -8.9162 -8.9099 -8.8875 -8.8769 -8.8634 -8.5557 -8.5153 -8.4971 -8.4862 -8.4611 -8.4477 -8.3906 -8.3879 -8.3430 -8.3290 -8.2742 -8.2714 -7.3766 -7.3618 -7.3155 -7.3020 -0.4385 -0.4369 1.6775 1.6838 3.2133 3.2612 3.4195 3.4723 4.2964 4.3493 4.6265 4.6805 5.9541 5.9591 8.8881 8.9523 9.3165 9.4159 10.0442 10.1160 10.8796 10.9030 k = 0.6011-0.0887-0.3127 ( 3240 PWs) bands (ev): -8.9864 -8.9666 -8.9291 -8.9150 -8.9076 -8.8857 -8.8767 -8.8636 -8.5510 -8.5123 -8.4954 -8.4844 -8.4608 -8.4481 -8.3909 -8.3882 -8.3426 -8.3293 -8.2762 -8.2731 -7.4131 -7.3978 -7.3516 -7.3377 -0.4406 -0.4393 1.6784 1.6832 3.3222 3.3710 3.5165 3.5698 4.3693 4.4201 4.6896 4.7412 5.9964 6.0008 8.8162 8.8733 9.3376 9.4407 9.9999 10.0744 10.8394 10.8654 k = 0.5951-0.0766-0.2902 ( 3242 PWs) bands (ev): -8.9847 -8.9663 -8.9264 -8.9140 -8.9053 -8.8839 -8.8766 -8.8639 -8.5462 -8.5091 -8.4936 -8.4826 -8.4606 -8.4485 -8.3911 -8.3886 -8.3423 -8.3297 -8.2783 -8.2749 -7.4481 -7.4325 -7.3862 -7.3720 -0.4441 -0.4430 1.6748 1.6785 3.4377 3.4878 3.6177 3.6721 4.4388 4.4873 4.7497 4.7988 6.0361 6.0400 8.7380 8.7883 9.3551 9.4608 9.9580 10.0348 10.7948 10.8220 k = 0.5892-0.0646-0.2677 ( 3238 PWs) bands (ev): -8.9830 -8.9660 -8.9238 -8.9131 -8.9028 -8.8822 -8.8763 -8.8641 -8.5412 -8.5058 -8.4918 -8.4808 -8.4603 -8.4487 -8.3913 -8.3890 -8.3421 -8.3301 -8.2803 -8.2768 -7.4816 -7.4656 -7.4192 -7.4048 -0.4488 -0.4479 1.6680 1.6707 3.5582 3.6102 3.7223 3.7786 4.5048 4.5509 4.8067 4.8531 6.0732 6.0768 8.6539 8.6978 9.3664 9.4719 9.9226 9.9997 10.7470 10.7743 k = 0.5832-0.0525-0.2452 ( 3238 PWs) bands (ev): -8.9813 -8.9657 -8.9214 -8.9124 -8.9003 -8.8807 -8.8759 -8.8643 -8.5361 -8.5023 -8.4899 -8.4791 -8.4599 -8.4488 -8.3915 -8.3893 -8.3419 -8.3307 -8.2823 -8.2787 -7.5134 -7.4972 -7.4506 -7.4360 -0.4543 -0.4536 1.6589 1.6609 3.6821 3.7370 3.8296 3.8885 4.5673 4.6108 4.8605 4.9041 6.1076 6.1110 8.5644 8.6023 9.3677 9.4679 9.8993 9.9724 10.6974 10.7238 k = 0.5773-0.0404-0.2227 ( 3234 PWs) bands (ev): -8.9797 -8.9654 -8.9191 -8.9117 -8.8977 -8.8795 -8.8753 -8.8646 -8.5308 -8.4988 -8.4879 -8.4774 -8.4596 -8.4487 -8.3917 -8.3897 -8.3418 -8.3314 -8.2842 -8.2806 -7.5434 -7.5272 -7.4802 -7.4656 -0.4605 -0.4600 1.6483 1.6498 3.8079 3.8666 3.9386 4.0011 4.6261 4.6669 4.9113 4.9519 6.1393 6.1426 8.4699 8.5023 9.3551 9.4438 9.8930 9.9564 10.6474 10.6722 k = 0.5713-0.0284-0.2002 ( 3232 PWs) bands (ev): -8.9782 -8.9652 -8.9170 -8.9110 -8.8952 -8.8786 -8.8744 -8.8648 -8.5254 -8.4953 -8.4859 -8.4757 -8.4593 -8.4484 -8.3919 -8.3901 -8.3419 -8.3322 -8.2861 -8.2826 -7.5716 -7.5555 -7.5079 -7.4935 -0.4672 -0.4667 1.6368 1.6379 3.9341 3.9977 4.0483 4.1158 4.6815 4.7194 4.9589 4.9965 6.1685 6.1718 8.3709 8.3984 9.3261 9.3988 9.9046 9.9542 10.5986 10.6212 k = 0.5654-0.0163-0.1777 ( 3224 PWs) bands (ev): -8.9768 -8.9650 -8.9151 -8.9103 -8.8928 -8.8779 -8.8733 -8.8650 -8.5199 -8.4918 -8.4839 -8.4740 -8.4589 -8.4479 -8.3921 -8.3904 -8.3420 -8.3331 -8.2878 -8.2845 -7.5978 -7.5821 -7.5337 -7.5195 -0.4740 -0.4737 1.6250 1.6259 4.0590 4.1282 4.1586 4.2316 4.7334 4.7682 5.0036 5.0380 6.1951 6.1986 8.2684 8.2914 9.2805 9.3365 9.9305 9.9658 10.5523 10.5724 k = 0.5595-0.0042-0.1552 ( 3214 PWs) bands (ev): -8.9754 -8.9649 -8.9133 -8.9097 -8.8904 -8.8775 -8.8722 -8.8653 -8.5143 -8.4886 -8.4818 -8.4723 -8.4584 -8.4473 -8.3923 -8.3908 -8.3423 -8.3341 -8.2894 -8.2864 -7.6220 -7.6068 -7.5574 -7.5438 -0.4809 -0.4806 1.6133 1.6139 4.1806 4.2517 4.2728 4.3478 4.7821 4.8137 5.0456 5.0767 6.2192 6.2229 8.1630 8.1820 9.2208 9.2621 9.9659 9.9888 10.5095 10.5270 k = 0.5535 0.0078-0.1327 ( 3222 PWs) bands (ev): -8.9742 -8.9648 -8.9118 -8.9091 -8.8881 -8.8771 -8.8712 -8.8656 -8.5088 -8.4858 -8.4798 -8.4706 -8.4578 -8.4467 -8.3925 -8.3911 -8.3428 -8.3353 -8.2909 -8.2884 -7.6441 -7.6296 -7.5791 -7.5661 -0.4876 -0.4874 1.6020 1.6024 4.2969 4.3596 4.3963 4.4630 4.8279 4.8561 5.0852 5.1127 6.2409 6.2447 8.0559 8.0714 9.1509 9.1804 10.0065 10.0200 10.4711 10.4860 k = 0.5476 0.0199-0.1102 ( 3222 PWs) bands (ev): -8.9730 -8.9647 -8.9104 -8.9085 -8.8859 -8.8768 -8.8703 -8.8660 -8.5032 -8.4834 -8.4779 -8.4688 -8.4569 -8.4460 -8.3927 -8.3915 -8.3434 -8.3366 -8.2922 -8.2902 -7.6640 -7.6504 -7.5986 -7.5864 -0.4941 -0.4939 1.5914 1.5917 4.4059 4.4576 4.5197 4.5755 4.8714 4.8959 5.1228 5.1468 6.2604 6.2643 7.9484 7.9609 9.0748 9.0952 10.0491 10.0560 10.4377 10.4502 k = 0.5416 0.0320-0.0878 ( 3226 PWs) bands (ev): -8.9719 -8.9648 -8.9092 -8.9079 -8.8839 -8.8765 -8.8696 -8.8664 -8.4978 -8.4815 -8.4763 -8.4670 -8.4557 -8.4453 -8.3929 -8.3918 -8.3442 -8.3380 -8.2934 -8.2918 -7.6816 -7.6691 -7.6158 -7.6046 -0.5000 -0.4999 1.5816 1.5818 4.5055 4.5468 4.6372 4.6829 4.9131 4.9336 5.1594 5.1794 6.2776 6.2816 7.8422 7.8523 8.9964 9.0101 10.0909 10.0935 10.4099 10.4200 k = 0.5357 0.0440-0.0653 ( 3228 PWs) bands (ev): -8.9709 -8.9648 -8.9082 -8.9074 -8.8820 -8.8762 -8.8690 -8.8667 -8.4925 -8.4800 -8.4750 -8.4655 -8.4541 -8.4446 -8.3931 -8.3921 -8.3451 -8.3395 -8.2945 -8.2933 -7.6969 -7.6857 -7.6307 -7.6207 -0.5054 -0.5053 1.5728 1.5729 4.5934 4.6256 4.7453 4.7817 4.9534 4.9697 5.1958 5.2117 6.2928 6.2967 7.7394 7.7475 8.9193 8.9283 10.1290 10.1299 10.3883 10.3961 k = 0.5297 0.0561-0.0428 ( 3220 PWs) bands (ev): -8.9700 -8.9649 -8.9073 -8.9068 -8.8803 -8.8758 -8.8685 -8.8671 -8.4876 -8.4787 -8.4740 -8.4644 -8.4522 -8.4440 -8.3933 -8.3923 -8.3459 -8.3410 -8.2953 -8.2946 -7.7097 -7.7000 -7.6433 -7.6346 -0.5102 -0.5101 1.5652 1.5653 4.6678 4.6920 4.8404 4.8682 4.9926 5.0045 5.2333 5.2448 6.3059 6.3097 7.6427 7.6491 8.8469 8.8527 10.1609 10.1623 10.3736 10.3792 k = 0.5238 0.0682-0.0203 ( 3218 PWs) bands (ev): -8.9691 -8.9651 -8.9066 -8.9064 -8.8788 -8.8755 -8.8683 -8.8675 -8.4831 -8.4776 -8.4732 -8.4639 -8.4500 -8.4435 -8.3935 -8.3926 -8.3467 -8.3425 -8.2960 -8.2957 -7.7201 -7.7121 -7.6534 -7.6463 -0.5142 -0.5141 1.5588 1.5589 4.7275 4.7449 4.9188 4.9388 5.0297 5.0374 5.2720 5.2792 6.3170 6.3205 7.5552 7.5603 8.7824 8.7861 10.1857 10.1871 10.3662 10.3697 k = 0.5178 0.0803 0.0022 ( 3216 PWs) bands (ev): -8.9684 -8.9654 -8.9061 -8.9060 -8.8775 -8.8752 -8.8682 -8.8678 -8.4794 -8.4767 -8.4723 -8.4638 -8.4480 -8.4432 -8.3936 -8.3928 -8.3473 -8.3440 -8.2966 -8.2965 -7.7279 -7.7218 -7.6611 -7.6556 -0.5173 -0.5173 1.5538 1.5539 4.7723 4.7841 4.9786 4.9919 5.0624 5.0665 5.3104 5.3139 6.3261 6.3291 7.4808 7.4847 8.7287 8.7311 10.2023 10.2032 10.3653 10.3670 k = 0.5119 0.0923 0.0247 ( 3216 PWs) bands (ev): -8.9677 -8.9657 -8.9057 -8.9057 -8.8765 -8.8751 -8.8681 -8.8680 -8.4769 -8.4761 -8.4709 -8.4644 -8.4463 -8.4432 -8.3937 -8.3930 -8.3476 -8.3453 -8.2971 -8.2970 -7.7332 -7.7291 -7.6663 -7.6626 -0.5196 -0.5196 1.5502 1.5502 4.8032 4.8104 5.0198 5.0279 5.0880 5.0894 5.3440 5.3451 6.3331 6.3353 7.4237 7.4264 8.6885 8.6900 10.2116 10.2120 10.3684 10.3689 k = 0.5059 0.1044 0.0472 ( 3212 PWs) bands (ev): -8.9671 -8.9661 -8.9055 -8.9055 -8.8757 -8.8750 -8.8682 -8.8682 -8.4757 -8.4756 -8.4690 -8.4654 -8.4449 -8.4434 -8.3936 -8.3932 -8.3476 -8.3464 -8.2973 -8.2973 -7.7360 -7.7339 -7.6691 -7.6672 -0.5210 -0.5210 1.5480 1.5480 4.8216 4.8250 5.0441 5.0480 5.1041 5.1042 5.3670 5.3672 6.3378 6.3389 7.3877 7.3891 8.6636 8.6643 10.2159 10.2160 10.3719 10.3720 k = 0.5000 0.1165 0.0697 ( 3200 PWs) bands (ev): -8.9666 -8.9666 -8.9054 -8.9054 -8.8752 -8.8752 -8.8682 -8.8682 -8.4754 -8.4754 -8.4670 -8.4670 -8.4439 -8.4439 -8.3934 -8.3934 -8.3471 -8.3471 -8.2974 -8.2974 -7.7362 -7.7362 -7.6694 -7.6694 -0.5215 -0.5215 1.5473 1.5473 4.8287 4.8287 5.0533 5.0533 5.1095 5.1095 5.3752 5.3752 6.3398 6.3398 7.3758 7.3758 8.6554 8.6554 10.2170 10.2170 10.3734 10.3734 k = 0.5000 0.1165 0.0697 ( 3200 PWs) bands (ev): -8.9666 -8.9666 -8.9054 -8.9054 -8.8752 -8.8752 -8.8682 -8.8682 -8.4754 -8.4754 -8.4670 -8.4670 -8.4439 -8.4439 -8.3934 -8.3934 -8.3471 -8.3471 -8.2974 -8.2974 -7.7362 -7.7362 -7.6694 -7.6694 -0.5215 -0.5215 1.5473 1.5473 4.8287 4.8287 5.0533 5.0533 5.1095 5.1095 5.3752 5.3752 6.3398 6.3398 7.3758 7.3758 8.6554 8.6554 10.2170 10.2170 10.3734 10.3734 k = 0.4750 0.1106 0.0662 ( 3212 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9054 -8.8752 -8.8752 -8.8682 -8.8682 -8.4755 -8.4755 -8.4670 -8.4670 -8.4439 -8.4439 -8.3934 -8.3934 -8.3471 -8.3471 -8.2974 -8.2974 -7.7405 -7.7405 -7.6650 -7.6650 -0.5247 -0.5247 1.5535 1.5535 4.8290 4.8290 5.0527 5.0527 5.1098 5.1098 5.3748 5.3749 6.3243 6.3243 7.3887 7.3887 8.6557 8.6557 10.2174 10.2174 10.3737 10.3738 k = 0.4500 0.1048 0.0627 ( 3209 PWs) bands (ev): -8.9665 -8.9665 -8.9055 -8.9054 -8.8752 -8.8752 -8.8682 -8.8682 -8.4755 -8.4755 -8.4670 -8.4670 -8.4439 -8.4439 -8.3934 -8.3934 -8.3469 -8.3469 -8.2974 -8.2974 -7.7512 -7.7512 -7.6541 -7.6541 -0.5342 -0.5342 1.5722 1.5722 4.8299 4.8299 5.0511 5.0511 5.1108 5.1109 5.3735 5.3737 6.2801 6.2801 7.4253 7.4253 8.6565 8.6565 10.2186 10.2186 10.3749 10.3749 k = 0.4250 0.0990 0.0592 ( 3224 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8753 -8.8753 -8.8682 -8.8682 -8.4755 -8.4755 -8.4670 -8.4670 -8.4440 -8.4440 -8.3934 -8.3934 -8.3466 -8.3466 -8.2975 -8.2974 -7.7647 -7.7647 -7.6402 -7.6402 -0.5495 -0.5495 1.6026 1.6026 4.8315 4.8315 5.0484 5.0484 5.1124 5.1127 5.3714 5.3717 6.2128 6.2128 7.4800 7.4800 8.6578 8.6578 10.2205 10.2205 10.3768 10.3768 k = 0.4000 0.0932 0.0557 ( 3230 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8753 -8.8753 -8.8682 -8.8682 -8.4755 -8.4755 -8.4670 -8.4670 -8.4440 -8.4440 -8.3934 -8.3934 -8.3461 -8.3461 -8.2974 -8.2974 -7.7793 -7.7793 -7.6250 -7.6250 -0.5698 -0.5698 1.6441 1.6441 4.8336 4.8336 5.0446 5.0446 5.1148 5.1151 5.3686 5.3690 6.1285 6.1285 7.5468 7.5468 8.6596 8.6596 10.2231 10.2231 10.3793 10.3794 k = 0.3750 0.0874 0.0523 ( 3233 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8753 -8.8753 -8.8682 -8.8682 -8.4755 -8.4755 -8.4670 -8.4670 -8.4440 -8.4440 -8.3934 -8.3934 -8.3456 -8.3456 -8.2974 -8.2974 -7.7943 -7.7943 -7.6094 -7.6094 -0.5943 -0.5943 1.6955 1.6955 4.8363 4.8363 5.0395 5.0395 5.1178 5.1182 5.3650 5.3655 6.0325 6.0325 7.6207 7.6207 8.6618 8.6618 10.2264 10.2264 10.3826 10.3827 k = 0.3500 0.0815 0.0488 ( 3233 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8752 -8.8752 -8.8682 -8.8682 -8.4755 -8.4755 -8.4670 -8.4670 -8.4440 -8.4440 -8.3934 -8.3934 -8.3449 -8.3449 -8.2974 -8.2974 -7.8091 -7.8091 -7.5938 -7.5938 -0.6221 -0.6221 1.7557 1.7557 4.8395 4.8395 5.0332 5.0332 5.1215 5.1220 5.3607 5.3613 5.9287 5.9287 7.6979 7.6979 8.6644 8.6644 10.2302 10.2302 10.3864 10.3865 k = 0.3250 0.0757 0.0453 ( 3233 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8752 -8.8752 -8.8682 -8.8682 -8.4756 -8.4755 -8.4670 -8.4670 -8.4440 -8.4440 -8.3933 -8.3933 -8.3441 -8.3441 -8.2974 -8.2974 -7.8236 -7.8236 -7.5785 -7.5785 -0.6520 -0.6520 1.8235 1.8235 4.8431 4.8431 5.0255 5.0255 5.1257 5.1263 5.3557 5.3563 5.8202 5.8202 7.7757 7.7757 8.6673 8.6673 10.2346 10.2346 10.3907 10.3908 k = 0.3000 0.0699 0.0418 ( 3239 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8752 -8.8752 -8.8682 -8.8682 -8.4756 -8.4755 -8.4670 -8.4670 -8.4440 -8.4440 -8.3933 -8.3933 -8.3433 -8.3433 -8.2975 -8.2974 -7.8375 -7.8375 -7.5637 -7.5637 -0.6833 -0.6833 1.8975 1.8975 4.8470 4.8470 5.0162 5.0162 5.1306 5.1312 5.3501 5.3508 5.7097 5.7097 7.8522 7.8522 8.6703 8.6703 10.2393 10.2393 10.3954 10.3955 k = 0.2750 0.0641 0.0383 ( 3239 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8751 -8.8751 -8.8682 -8.8682 -8.4756 -8.4755 -8.4670 -8.4670 -8.4441 -8.4441 -8.3933 -8.3933 -8.3424 -8.3424 -8.2975 -8.2974 -7.8507 -7.8507 -7.5495 -7.5495 -0.7149 -0.7149 1.9765 1.9765 4.8509 4.8509 5.0049 5.0049 5.1360 5.1367 5.3439 5.3447 5.5994 5.5994 7.9261 7.9261 8.6735 8.6735 10.2443 10.2443 10.4004 10.4005 k = 0.2500 0.0582 0.0348 ( 3239 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8751 -8.8751 -8.8682 -8.8682 -8.4756 -8.4755 -8.4669 -8.4669 -8.4441 -8.4441 -8.3933 -8.3933 -8.3414 -8.3414 -8.2975 -8.2974 -7.8632 -7.8632 -7.5362 -7.5362 -0.7461 -0.7461 2.0591 2.0591 4.8545 4.8545 4.9911 4.9911 5.1418 5.1426 5.3373 5.3381 5.4919 5.4919 7.9961 7.9961 8.6766 8.6766 10.2495 10.2495 10.4056 10.4057 k = 0.2250 0.0524 0.0314 ( 3248 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8751 -8.8751 -8.8682 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4441 -8.4441 -8.3932 -8.3932 -8.3404 -8.3404 -8.2975 -8.2974 -7.8748 -7.8748 -7.5237 -7.5237 -0.7762 -0.7762 2.1438 2.1438 4.8566 4.8566 4.9743 4.9743 5.1481 5.1490 5.3302 5.3310 5.3901 5.3901 8.0616 8.0616 8.6796 8.6796 10.2548 10.2548 10.4108 10.4109 k = 0.2000 0.0466 0.0279 ( 3233 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8750 -8.8750 -8.8682 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4441 -8.4441 -8.3932 -8.3932 -8.3394 -8.3394 -8.2974 -8.2974 -7.8853 -7.8853 -7.5122 -7.5122 -0.8046 -0.8046 2.2292 2.2292 4.8551 4.8551 4.9545 4.9545 5.1548 5.1557 5.2979 5.2979 5.3227 5.3237 8.1218 8.1218 8.6824 8.6824 10.2599 10.2599 10.4159 10.4161 k = 0.1750 0.0408 0.0244 ( 3251 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8750 -8.8750 -8.8683 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4442 -8.4442 -8.3932 -8.3932 -8.3385 -8.3385 -8.2975 -8.2975 -7.8949 -7.8949 -7.5018 -7.5018 -0.8308 -0.8308 2.3135 2.3135 4.8439 4.8439 4.9350 4.9350 5.1617 5.1626 5.2197 5.2197 5.3151 5.3160 8.1762 8.1762 8.6849 8.6849 10.2649 10.2649 10.4208 10.4210 k = 0.1500 0.0349 0.0209 ( 3239 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8749 -8.8749 -8.8682 -8.8682 -8.4756 -8.4755 -8.4669 -8.4669 -8.4442 -8.4442 -8.3931 -8.3931 -8.3376 -8.3376 -8.2975 -8.2974 -7.9033 -7.9033 -7.4926 -7.4926 -0.8543 -0.8543 2.3948 2.3948 4.8142 4.8142 4.9231 4.9231 5.1588 5.1588 5.1688 5.1697 5.3074 5.3083 8.2244 8.2244 8.6871 8.6871 10.2694 10.2694 10.4254 10.4255 k = 0.1250 0.0291 0.0174 ( 3233 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8749 -8.8749 -8.8682 -8.8682 -8.4756 -8.4755 -8.4669 -8.4669 -8.4442 -8.4442 -8.3931 -8.3931 -8.3367 -8.3367 -8.2974 -8.2974 -7.9106 -7.9106 -7.4847 -7.4847 -0.8747 -0.8747 2.4709 2.4709 4.7671 4.7671 4.9202 4.9202 5.1148 5.1148 5.1759 5.1767 5.2998 5.3007 8.2659 8.2659 8.6887 8.6887 10.2736 10.2736 10.4295 10.4296 k = 0.1000 0.0233 0.0139 ( 3239 PWs) bands (ev): -8.9666 -8.9666 -8.9055 -8.9055 -8.8749 -8.8749 -8.8683 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4442 -8.4442 -8.3931 -8.3931 -8.3360 -8.3360 -8.2974 -8.2974 -7.9166 -7.9166 -7.4782 -7.4782 -0.8919 -0.8919 2.5392 2.5392 4.7128 4.7128 4.9222 4.9222 5.0844 5.0844 5.1827 5.1835 5.2925 5.2934 8.3005 8.3005 8.6900 8.6900 10.2771 10.2771 10.4331 10.4332 k = 0.0750 0.0175 0.0105 ( 3250 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8749 -8.8749 -8.8683 -8.8683 -8.4756 -8.4756 -8.4669 -8.4669 -8.4443 -8.4443 -8.3931 -8.3931 -8.3355 -8.3355 -8.2974 -8.2974 -7.9213 -7.9213 -7.4730 -7.4730 -0.9054 -0.9054 2.5968 2.5968 4.6612 4.6612 4.9259 4.9259 5.0634 5.0634 5.1889 5.1896 5.2860 5.2867 8.3277 8.3277 8.6908 8.6908 10.2800 10.2800 10.4359 10.4360 k = 0.0500 0.0116 0.0070 ( 3250 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8749 -8.8749 -8.8683 -8.8683 -8.4756 -8.4756 -8.4669 -8.4669 -8.4443 -8.4443 -8.3931 -8.3931 -8.3351 -8.3351 -8.2974 -8.2974 -7.9247 -7.9247 -7.4693 -7.4693 -0.9153 -0.9153 2.6407 2.6407 4.6193 4.6193 4.9298 4.9298 5.0494 5.0494 5.1941 5.1947 5.2807 5.2813 8.3475 8.3475 8.6913 8.6913 10.2821 10.2821 10.4381 10.4381 k = 0.0250 0.0058 0.0035 ( 3247 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8749 -8.8749 -8.8682 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4443 -8.4443 -8.3931 -8.3931 -8.3348 -8.3348 -8.2974 -8.2974 -7.9267 -7.9267 -7.4670 -7.4670 -0.9212 -0.9212 2.6684 2.6684 4.5922 4.5922 4.9326 4.9326 5.0412 5.0412 5.1977 5.1980 5.2772 5.2775 8.3594 8.3594 8.6916 8.6916 10.2834 10.2834 10.4394 10.4394 k = 0.0000 0.0000 0.0000 ( 3247 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8748 -8.8748 -8.8682 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4443 -8.4443 -8.3931 -8.3931 -8.3347 -8.3347 -8.2974 -8.2974 -7.9274 -7.9274 -7.4663 -7.4663 -0.9232 -0.9232 2.6779 2.6779 4.5828 4.5828 4.9337 4.9337 5.0384 5.0384 5.1991 5.1991 5.2760 5.2760 8.3634 8.3634 8.6917 8.6917 10.2838 10.2838 10.4398 10.4398 k = 0.0000 0.0000 0.0000 ( 3247 PWs) bands (ev): -8.9667 -8.9667 -8.9055 -8.9055 -8.8748 -8.8748 -8.8682 -8.8682 -8.4756 -8.4756 -8.4669 -8.4669 -8.4443 -8.4443 -8.3931 -8.3931 -8.3347 -8.3347 -8.2974 -8.2974 -7.9274 -7.9274 -7.4663 -7.4663 -0.9232 -0.9232 2.6779 2.6779 4.5828 4.5828 4.9337 4.9337 5.0384 5.0384 5.1991 5.1991 5.2760 5.2760 8.3634 8.3634 8.6917 8.6917 10.2838 10.2838 10.4398 10.4398 k = 0.0060-0.0121-0.0225 ( 3251 PWs) bands (ev): -8.9672 -8.9662 -8.9056 -8.9056 -8.8753 -8.8747 -8.8682 -8.8682 -8.4759 -8.4758 -8.4687 -8.4654 -8.4453 -8.4436 -8.3931 -8.3930 -8.3351 -8.3342 -8.2973 -8.2973 -7.9263 -7.9257 -7.4652 -7.4650 -0.9224 -0.9224 2.6765 2.6768 4.5738 4.5808 4.9226 4.9399 5.0293 5.0392 5.1959 5.1962 5.2719 5.2721 8.3698 8.3700 8.7001 8.7011 10.2814 10.2816 10.4372 10.4373 k = 0.0119-0.0242-0.0451 ( 3249 PWs) bands (ev): -8.9678 -8.9658 -8.9058 -8.9058 -8.8761 -8.8747 -8.8682 -8.8681 -8.4770 -8.4763 -8.4704 -8.4643 -8.4466 -8.4431 -8.3930 -8.3929 -8.3354 -8.3336 -8.2971 -8.2970 -7.9223 -7.9212 -7.4619 -7.4615 -0.9199 -0.9199 2.6726 2.6731 4.5536 4.5673 4.9065 4.9413 5.0119 5.0315 5.1860 5.1884 5.2595 5.2610 8.3889 8.3892 8.7259 8.7279 10.2727 10.2734 10.4311 10.4318 k = 0.0179-0.0363-0.0676 ( 3239 PWs) bands (ev): -8.9685 -8.9655 -8.9061 -8.9060 -8.8772 -8.8749 -8.8683 -8.8678 -8.4792 -8.4770 -8.4717 -8.4638 -8.4482 -8.4430 -8.3929 -8.3928 -8.3355 -8.3329 -8.2967 -8.2964 -7.9155 -7.9138 -7.4563 -7.4556 -0.9158 -0.9157 2.6660 2.6667 4.5218 4.5414 4.8854 4.9378 4.9869 5.0158 5.1694 5.1772 5.2399 5.2449 8.4197 8.4203 8.7680 8.7709 10.2539 10.2556 10.4261 10.4282 k = 0.0238-0.0484-0.0901 ( 3237 PWs) bands (ev): -8.9692 -8.9652 -8.9066 -8.9064 -8.8786 -8.8751 -8.8685 -8.8675 -8.4826 -8.4780 -8.4727 -8.4636 -8.4500 -8.4431 -8.3928 -8.3926 -8.3355 -8.3322 -8.2962 -8.2956 -7.9059 -7.9038 -7.4484 -7.4475 -0.9100 -0.9099 2.6566 2.6575 4.4776 4.5019 4.8591 4.9262 4.9580 4.9933 5.1464 5.1643 5.2144 5.2259 8.4605 8.4619 8.8245 8.8282 10.2216 10.2245 10.4272 10.4313 k = 0.0298-0.0605-0.1126 ( 3239 PWs) bands (ev): -8.9700 -8.9650 -8.9073 -8.9069 -8.8803 -8.8754 -8.8688 -8.8671 -8.4867 -8.4791 -8.4736 -8.4639 -8.4519 -8.4435 -8.3927 -8.3924 -8.3355 -8.3315 -8.2955 -8.2945 -7.8936 -7.8911 -7.4383 -7.4372 -0.9027 -0.9026 2.6440 2.6451 4.4208 4.4482 4.8267 4.8947 4.9369 4.9672 5.1181 5.1505 5.1848 5.2060 8.5096 8.5121 8.8930 8.8976 10.1758 10.1795 10.4368 10.4430 k = 0.0357-0.0725-0.1352 ( 3243 PWs) bands (ev): -8.9709 -8.9648 -8.9082 -8.9074 -8.8822 -8.8758 -8.8694 -8.8668 -8.4913 -8.4805 -8.4747 -8.4646 -8.4538 -8.4441 -8.3926 -8.3921 -8.3355 -8.3309 -8.2947 -8.2932 -7.8787 -7.8758 -7.4259 -7.4247 -0.8938 -0.8937 2.6279 2.6294 4.3515 4.3806 4.7868 4.8463 4.9190 4.9433 5.0859 5.1351 5.1539 5.1862 8.5648 8.5690 8.9708 8.9766 10.1191 10.1228 10.4546 10.4630 k = 0.0417-0.0846-0.1577 ( 3243 PWs) bands (ev): -8.9719 -8.9647 -8.9093 -8.9081 -8.8843 -8.8761 -8.8701 -8.8664 -8.4961 -8.4821 -8.4761 -8.4656 -8.4555 -8.4448 -8.3925 -8.3918 -8.3356 -8.3302 -8.2938 -8.2917 -7.8614 -7.8581 -7.4115 -7.4101 -0.8834 -0.8833 2.6081 2.6099 4.2707 4.3003 4.7386 4.7894 4.8948 4.9261 5.0508 5.1097 5.1313 5.1672 8.6241 8.6305 9.0549 9.0627 10.0544 10.0574 10.4797 10.4902 k = 0.0476-0.0967-0.1802 ( 3241 PWs) bands (ev): -8.9730 -8.9647 -8.9105 -8.9087 -8.8865 -8.8764 -8.8710 -8.8660 -8.5011 -8.4839 -8.4777 -8.4669 -8.4569 -8.4455 -8.3924 -8.3915 -8.3357 -8.3296 -8.2927 -8.2900 -7.8416 -7.8380 -7.3949 -7.3934 -0.8716 -0.8715 2.5839 2.5861 4.1797 4.2091 4.6831 4.7274 4.8668 4.9107 5.0135 5.0739 5.1183 5.1498 8.6852 8.6945 9.1422 9.1531 9.9844 9.9861 10.5114 10.5241 k = 0.0536-0.1088-0.2028 ( 3245 PWs) bands (ev): -8.9741 -8.9647 -8.9120 -8.9094 -8.8889 -8.8767 -8.8721 -8.8657 -8.5063 -8.4859 -8.4797 -8.4686 -8.4580 -8.4463 -8.3923 -8.3911 -8.3359 -8.3290 -8.2914 -8.2883 -7.8195 -7.8157 -7.3762 -7.3747 -0.8585 -0.8583 2.5550 2.5578 4.0802 4.1089 4.6226 4.6628 4.8365 4.8930 4.9742 5.0347 5.1083 5.1348 8.7462 8.7590 9.2296 9.2453 9.9097 9.9132 10.5491 10.5641 k = 0.0596-0.1209-0.2253 ( 3245 PWs) bands (ev): -8.9754 -8.9647 -8.9136 -8.9102 -8.8913 -8.8770 -8.8733 -8.8654 -8.5114 -8.4880 -8.4820 -8.4704 -8.4588 -8.4471 -8.3922 -8.3908 -8.3361 -8.3285 -8.2900 -8.2864 -7.7952 -7.7912 -7.3556 -7.3539 -0.8441 -0.8439 2.5208 2.5243 3.9738 4.0016 4.5596 4.5975 4.8034 4.8704 4.9330 4.9934 5.1003 5.1231 8.8054 8.8222 9.3134 9.3366 9.8321 9.8418 10.5923 10.6096 k = 0.0655-0.1330-0.2478 ( 3247 PWs) bands (ev): -8.9767 -8.9648 -8.9155 -8.9110 -8.8939 -8.8774 -8.8745 -8.8651 -8.5165 -8.4903 -8.4846 -8.4723 -8.4594 -8.4477 -8.3921 -8.3904 -8.3364 -8.3281 -8.2884 -8.2845 -7.7689 -7.7647 -7.3331 -7.3313 -0.8286 -0.8283 2.4809 2.4854 3.8622 3.8891 4.4965 4.5333 4.7665 4.8413 4.8900 4.9501 5.0943 5.1155 8.8612 8.8823 9.3884 9.4244 9.7542 9.7758 10.6405 10.6601 k = 0.0715-0.1451-0.2703 ( 3239 PWs) bands (ev): -8.9781 -8.9649 -8.9175 -8.9118 -8.8964 -8.8780 -8.8756 -8.8648 -8.5216 -8.4927 -8.4872 -8.4743 -8.4598 -8.4482 -8.3919 -8.3901 -8.3368 -8.3277 -8.2867 -8.2826 -7.7405 -7.7362 -7.3087 -7.3069 -0.8121 -0.8117 2.4351 2.4405 3.7468 3.7730 4.4353 4.4717 4.7252 4.8045 4.8453 4.9049 5.0904 5.1118 8.9123 8.9381 9.4446 9.5045 9.6798 9.7245 10.6928 10.7145 k = 0.0774-0.1572-0.2929 ( 3239 PWs) bands (ev): -8.9796 -8.9651 -8.9197 -8.9127 -8.8990 -8.8791 -8.8763 -8.8645 -8.5265 -8.4953 -8.4899 -8.4763 -8.4601 -8.4485 -8.3917 -8.3897 -8.3372 -8.3274 -8.2849 -8.2807 -7.7103 -7.7058 -7.2825 -7.2807 -0.7947 -0.7943 2.3829 2.3896 3.6290 3.6545 4.3775 4.4140 4.6792 4.7599 4.7988 4.8578 5.0887 5.1112 8.9578 8.9883 9.4638 9.5512 9.6339 9.7063 10.7479 10.7714 k = 0.0834-0.1693-0.3154 ( 3237 PWs) bands (ev): -8.9811 -8.9653 -8.9221 -8.9136 -8.9015 -8.8806 -8.8766 -8.8642 -8.5314 -8.4980 -8.4925 -8.4783 -8.4605 -8.4486 -8.3915 -8.3894 -8.3377 -8.3272 -8.2830 -8.2789 -7.6783 -7.6736 -7.2547 -7.2528 -0.7766 -0.7761 2.3243 2.3325 3.5099 3.5350 4.3241 4.3612 4.6286 4.7086 4.7496 4.8086 5.0890 5.1129 8.9969 9.0320 9.4385 9.5039 9.6773 9.7284 10.8043 10.8291 k = 0.0893-0.1814-0.3379 ( 3249 PWs) bands (ev): -8.9828 -8.9655 -8.9248 -8.9147 -8.9040 -8.8823 -8.8769 -8.8640 -8.5362 -8.5008 -8.4949 -8.4804 -8.4608 -8.4486 -8.3914 -8.3890 -8.3382 -8.3271 -8.2811 -8.2771 -7.6446 -7.6397 -7.2252 -7.2233 -0.7581 -0.7574 2.2595 2.2693 3.3907 3.4154 4.2755 4.3138 4.5736 4.6518 4.6972 4.7572 5.0910 5.1163 9.0292 9.0681 9.3898 9.4346 9.7379 9.7705 10.8600 10.8856 k = 0.0953-0.1934-0.3605 ( 3245 PWs) bands (ev): -8.9845 -8.9658 -8.9275 -8.9159 -8.9063 -8.8840 -8.8770 -8.8637 -8.5408 -8.5037 -8.4971 -8.4825 -8.4610 -8.4484 -8.3911 -8.3886 -8.3387 -8.3270 -8.2790 -8.2753 -7.6093 -7.6041 -7.1942 -7.1922 -0.7392 -0.7384 2.1886 2.2002 3.2723 3.2968 4.2321 4.2722 4.5146 4.5906 4.6411 4.7035 5.0942 5.1209 9.0546 9.0956 9.3351 9.3656 9.7938 9.8163 10.9133 10.9389 k = 0.1012-0.2055-0.3830 ( 3243 PWs) bands (ev): -8.9863 -8.9661 -8.9305 -8.9172 -8.9085 -8.8857 -8.8771 -8.8635 -8.5452 -8.5066 -8.4992 -8.4845 -8.4612 -8.4480 -8.3909 -8.3883 -8.3393 -8.3269 -8.2770 -8.2735 -7.5724 -7.5670 -7.1618 -7.1597 -0.7203 -0.7193 2.1121 2.1256 3.1555 3.1800 4.1935 4.2363 4.4520 4.5255 4.5815 4.6475 5.0980 5.1260 9.0729 9.1129 9.2826 9.2996 9.8427 9.8593 10.9624 10.9871 k = 0.1072-0.2176-0.4055 ( 3237 PWs) bands (ev): -8.9881 -8.9664 -8.9335 -8.9187 -8.9107 -8.8874 -8.8771 -8.8632 -8.5496 -8.5094 -8.5010 -8.4866 -8.4614 -8.4475 -8.3907 -8.3878 -8.3398 -8.3268 -8.2749 -8.2718 -7.5341 -7.5284 -7.1280 -7.1259 -0.7016 -0.7004 2.0307 2.0461 3.0413 3.0658 4.1586 4.2058 4.3867 4.4575 4.5186 4.5894 5.1021 5.1314 9.0840 9.1162 9.2339 9.2434 9.8841 9.8972 11.0059 11.0288 k = 0.1132-0.2297-0.4280 ( 3239 PWs) bands (ev): -8.9900 -8.9668 -8.9367 -8.9203 -8.9127 -8.8889 -8.8772 -8.8630 -8.5538 -8.5121 -8.5027 -8.4887 -8.4615 -8.4469 -8.3904 -8.3875 -8.3404 -8.3268 -8.2729 -8.2702 -7.4944 -7.4885 -7.0930 -7.0908 -0.6834 -0.6820 1.9448 1.9624 2.9303 2.9549 4.1256 4.1798 4.3201 4.3874 4.4526 4.5295 5.1059 5.1365 9.0846 9.1031 9.1784 9.2153 9.9176 9.9288 11.0432 11.0634 k = 0.1191-0.2418-0.4506 ( 3239 PWs) bands (ev): -8.9919 -8.9672 -8.9400 -8.9220 -8.9147 -8.8903 -8.8772 -8.8627 -8.5579 -8.5148 -8.5043 -8.4907 -8.4616 -8.4463 -8.3902 -8.3870 -8.3411 -8.3268 -8.2708 -8.2685 -7.4534 -7.4472 -7.0569 -7.0546 -0.6661 -0.6643 1.8554 1.8751 2.8234 2.8481 4.0910 4.1561 4.2544 4.3177 4.3840 4.4686 5.1091 5.1411 9.0609 9.0871 9.1316 9.2025 9.9431 9.9535 11.0744 11.0909 k = 0.1251-0.2539-0.4731 ( 3239 PWs) bands (ev): -8.9938 -8.9676 -8.9434 -8.9239 -8.9167 -8.8915 -8.8773 -8.8624 -8.5619 -8.5173 -8.5058 -8.4927 -8.4616 -8.4455 -8.3899 -8.3866 -8.3417 -8.3268 -8.2688 -8.2669 -7.4112 -7.4047 -7.0196 -7.0173 -0.6499 -0.6477 1.7631 1.7849 2.7211 2.7460 4.0491 4.1290 4.1937 4.2535 4.3131 4.4081 5.1114 5.1447 9.0237 9.0552 9.1079 9.1944 9.9602 9.9708 11.1001 11.1120 k = 0.1310-0.2660-0.4956 ( 3235 PWs) bands (ev): -8.9958 -8.9681 -8.9467 -8.9257 -8.9188 -8.8924 -8.8773 -8.8621 -8.5658 -8.5197 -8.5071 -8.4946 -8.4616 -8.4446 -8.3896 -8.3862 -8.3424 -8.3268 -8.2669 -8.2653 -7.3679 -7.3611 -6.9815 -6.9790 -0.6353 -0.6326 1.6688 1.6927 2.6243 2.6493 3.9944 4.0844 4.1446 4.2039 4.2418 4.3505 5.1125 5.1471 8.9855 9.0128 9.0963 9.1858 9.9687 9.9802 11.1216 11.1282 k = 0.1370-0.2781-0.5182 ( 3237 PWs) bands (ev): -8.9977 -8.9687 -8.9501 -8.9276 -8.9210 -8.8931 -8.8774 -8.8617 -8.5696 -8.5219 -8.5083 -8.4965 -8.4616 -8.4438 -8.3894 -8.3858 -8.3431 -8.3269 -8.2651 -8.2637 -7.3235 -7.3165 -6.9425 -6.9399 -0.6226 -0.6193 1.5730 1.5990 2.5335 2.5586 3.9263 4.0166 4.1026 4.1560 4.1895 4.2999 5.1119 5.1479 8.9493 8.9717 9.0848 9.1753 9.9683 9.9814 11.1390 11.1425 k = 0.1429-0.2902-0.5407 ( 3237 PWs) bands (ev): -8.9997 -8.9693 -8.9535 -8.9295 -8.9232 -8.8937 -8.8774 -8.8614 -8.5733 -8.5241 -8.5094 -8.4983 -8.4615 -8.4428 -8.3891 -8.3853 -8.3438 -8.3269 -8.2633 -8.2621 -7.2782 -7.2709 -6.9027 -6.9001 -0.6123 -0.6083 1.4766 1.5047 2.4494 2.4745 3.8487 3.9366 4.0531 4.0854 4.1751 4.2615 5.1094 5.1468 8.9162 8.9341 9.0719 9.1625 9.9591 9.9742 11.1511 11.1596 k = 0.1489-0.3023-0.5632 ( 3233 PWs) bands (ev): -9.0017 -8.9699 -8.9567 -8.9314 -8.9254 -8.8940 -8.8775 -8.8610 -8.5769 -8.5260 -8.5104 -8.5001 -8.4613 -8.4418 -8.3888 -8.3849 -8.3446 -8.3269 -8.2618 -8.2604 -7.2321 -7.2245 -6.8624 -6.8597 -0.6047 -0.5998 1.3801 1.4103 2.3726 2.3976 3.7651 3.8508 3.9875 4.0152 4.1719 4.2373 5.1048 5.1435 8.8863 8.9007 9.0576 9.1476 9.9412 9.9587 11.1624 11.1781 k = 0.1548-0.3144-0.5858 ( 3233 PWs) bands (ev): -9.0036 -8.9707 -8.9599 -8.9334 -8.9277 -8.8941 -8.8776 -8.8606 -8.5804 -8.5279 -8.5113 -8.5018 -8.4611 -8.4408 -8.3885 -8.3844 -8.3453 -8.3269 -8.2603 -8.2587 -7.1853 -7.1774 -6.8216 -6.8187 -0.6002 -0.5943 1.2841 1.3165 2.3037 2.3285 3.6778 3.7618 3.9102 3.9451 4.1738 4.2252 5.0977 5.1378 8.8592 8.8720 9.0425 9.1311 9.9151 9.9350 11.1750 11.1981 k = 0.1608-0.3264-0.6083 ( 3229 PWs) bands (ev): -9.0055 -8.9716 -8.9629 -8.9353 -8.9298 -8.8941 -8.8777 -8.8601 -8.5838 -8.5296 -8.5122 -8.5034 -8.4609 -8.4397 -8.3882 -8.3839 -8.3461 -8.3269 -8.2589 -8.2570 -7.1378 -7.1298 -6.7804 -6.7775 -0.5991 -0.5921 1.1891 1.2236 2.2432 2.2676 3.5880 3.6706 3.8285 3.8714 4.1789 4.2213 5.0881 5.1295 8.8341 8.8483 9.0272 9.1135 9.8815 9.9039 11.1899 11.2204 k = 0.1668-0.3385-0.6308 ( 3231 PWs) bands (ev): -9.0073 -8.9727 -8.9656 -8.9374 -8.9319 -8.8940 -8.8778 -8.8597 -8.5871 -8.5312 -8.5130 -8.5050 -8.4606 -8.4387 -8.3879 -8.3835 -8.3469 -8.3269 -8.2576 -8.2554 -7.0899 -7.0816 -6.7390 -6.7360 -0.6017 -0.5934 1.0957 1.1324 2.1915 2.2154 3.4965 3.5779 3.7446 3.7941 4.1861 4.2228 5.0756 5.1183 8.8108 8.8291 9.0125 9.0955 9.8414 9.8661 11.2077 11.2453 k = 0.1727-0.3506-0.6533 ( 3231 PWs) bands (ev): -9.0092 -8.9742 -8.9678 -8.9395 -8.9338 -8.8937 -8.8779 -8.8592 -8.5904 -8.5326 -8.5137 -8.5065 -8.4603 -8.4376 -8.3875 -8.3830 -8.3477 -8.3269 -8.2563 -8.2538 -7.0416 -7.0331 -6.6976 -6.6944 -0.6081 -0.5984 1.0043 1.0430 2.1488 2.1720 3.4039 3.4843 3.6595 3.7144 4.1948 4.2277 5.0602 5.1041 8.7893 8.8134 8.9992 9.0780 9.7959 9.8227 11.2286 11.2729 k = 0.1787-0.3627-0.6759 ( 3221 PWs) bands (ev): -9.0109 -8.9761 -8.9696 -8.9417 -8.9354 -8.8933 -8.8780 -8.8586 -8.5935 -8.5340 -8.5144 -8.5079 -8.4599 -8.4364 -8.3872 -8.3825 -8.3485 -8.3269 -8.2551 -8.2523 -6.9931 -6.9844 -6.6562 -6.6530 -0.6183 -0.6071 0.9152 0.9561 2.1154 2.1377 3.3108 3.3902 3.5736 3.6329 4.2044 4.2349 5.0417 5.0868 8.7690 8.8003 8.9881 9.0617 9.7462 9.7749 11.2527 11.3028 k = 0.1846-0.3748-0.6984 ( 3221 PWs) bands (ev): -9.0126 -8.9783 -8.9709 -8.9440 -8.9369 -8.8929 -8.8782 -8.8581 -8.5966 -8.5352 -8.5151 -8.5094 -8.4595 -8.4353 -8.3869 -8.3821 -8.3494 -8.3269 -8.2540 -8.2508 -6.9445 -6.9356 -6.6150 -6.6118 -0.6325 -0.6195 0.8289 0.8719 2.0913 2.1124 3.2174 3.2959 3.4873 3.5504 4.2145 4.2434 5.0201 5.0663 8.7492 8.7885 8.9799 9.0478 9.6937 9.7239 11.2798 11.3345 k = 0.1906-0.3869-0.7209 ( 3217 PWs) bands (ev): -9.0143 -8.9807 -8.9720 -8.9463 -8.9382 -8.8924 -8.8783 -8.8575 -8.5996 -8.5364 -8.5157 -8.5107 -8.4591 -8.4342 -8.3865 -8.3816 -8.3502 -8.3269 -8.2529 -8.2494 -6.8960 -6.8870 -6.5742 -6.5709 -0.6502 -0.6355 0.7456 0.7908 2.0764 2.0962 3.1244 3.2019 3.4008 3.4672 4.2247 4.2526 4.9954 5.0426 8.7294 8.7769 8.9751 9.0376 9.6396 9.6712 11.3094 11.3661 k = 0.1965-0.3990-0.7435 ( 3215 PWs) bands (ev): -9.0159 -8.9832 -8.9729 -8.9487 -8.9394 -8.8918 -8.8785 -8.8570 -8.6025 -8.5374 -8.5163 -8.5120 -8.4586 -8.4331 -8.3862 -8.3811 -8.3511 -8.3269 -8.2518 -8.2480 -6.8477 -6.8385 -6.5339 -6.5306 -0.6714 -0.6546 0.6657 0.7131 2.0705 2.0886 3.0320 3.1083 3.3145 3.3837 4.2346 4.2619 4.9676 5.0157 8.7089 8.7641 8.9737 9.0321 9.5854 9.6181 11.3406 11.3917 k = 0.2025-0.4111-0.7660 ( 3221 PWs) bands (ev): -9.0174 -8.9856 -8.9738 -8.9510 -8.9405 -8.8912 -8.8787 -8.8564 -8.6053 -8.5384 -8.5169 -8.5132 -8.4581 -8.4320 -8.3859 -8.3807 -8.3520 -8.3269 -8.2508 -8.2468 -6.7998 -6.7905 -6.4944 -6.4910 -0.6955 -0.6767 0.5894 0.6391 2.0732 2.0893 2.9406 3.0156 3.2285 3.3004 4.2439 4.2708 4.9368 4.9857 8.6873 8.7488 8.9755 9.0321 9.5328 9.5665 11.3705 11.4004 k = 0.2084-0.4232-0.7885 ( 3229 PWs) bands (ev): -9.0189 -8.9879 -8.9746 -8.9533 -8.9414 -8.8905 -8.8789 -8.8558 -8.6081 -8.5393 -8.5176 -8.5144 -8.4576 -8.4309 -8.3856 -8.3802 -8.3530 -8.3270 -8.2499 -8.2456 -6.7525 -6.7431 -6.4557 -6.4523 -0.7221 -0.7012 0.5169 0.5690 2.0839 2.0976 2.8509 2.9240 3.1434 3.2176 4.2522 4.2791 4.9031 4.9527 8.6643 8.7301 8.9798 9.0374 9.4833 9.5181 11.3859 11.3978 k = 0.2144-0.4353-0.8110 ( 3225 PWs) bands (ev): -9.0203 -8.9901 -8.9753 -8.9554 -8.9422 -8.8898 -8.8791 -8.8551 -8.6108 -8.5401 -8.5181 -8.5155 -8.4571 -8.4298 -8.3853 -8.3798 -8.3539 -8.3270 -8.2490 -8.2444 -6.7059 -6.6964 -6.4180 -6.4147 -0.7506 -0.7276 0.4486 0.5030 2.1021 2.1126 2.7634 2.8339 3.0593 3.1355 4.2591 4.2862 4.8668 4.9170 8.6398 8.7075 8.9857 9.0467 9.4393 9.4754 11.3747 11.3931 k = 0.2204-0.4473-0.8336 ( 3227 PWs) bands (ev): -9.0216 -8.9922 -8.9760 -8.9575 -8.9430 -8.8890 -8.8793 -8.8545 -8.6133 -8.5408 -8.5188 -8.5166 -8.4565 -8.4288 -8.3850 -8.3794 -8.3548 -8.3270 -8.2481 -8.2434 -6.6602 -6.6507 -6.3815 -6.3782 -0.7805 -0.7553 0.3845 0.4414 2.1269 2.1333 2.6789 2.7458 2.9766 3.0545 4.2644 4.2919 4.8280 4.8787 8.6138 8.6808 8.9915 9.0577 9.4031 9.4410 11.3556 11.3784 k = 0.2263-0.4594-0.8561 ( 3219 PWs) bands (ev): -9.0228 -8.9941 -8.9767 -8.9595 -8.9437 -8.8883 -8.8795 -8.8538 -8.6158 -8.5414 -8.5193 -8.5176 -8.4559 -8.4277 -8.3846 -8.3789 -8.3558 -8.3270 -8.2473 -8.2424 -6.6156 -6.6061 -6.3464 -6.3431 -0.8112 -0.7838 0.3249 0.3843 2.1563 2.1588 2.5992 2.6600 2.8959 2.9750 4.2678 4.2958 4.7871 4.8382 8.5859 8.6501 8.9952 9.0676 9.3780 9.4179 11.3322 11.3576 k = 0.2323-0.4715-0.8786 ( 3213 PWs) bands (ev): -9.0239 -8.9959 -8.9773 -8.9614 -8.9443 -8.8875 -8.8796 -8.8531 -8.6183 -8.5420 -8.5200 -8.5185 -8.4553 -8.4267 -8.3843 -8.3785 -8.3567 -8.3270 -8.2466 -8.2415 -6.5723 -6.5628 -6.3128 -6.3095 -0.8421 -0.8125 0.2698 0.3318 2.1814 2.1930 2.5271 2.5774 2.8176 2.8972 4.2690 4.2977 4.7444 4.7957 8.5560 8.6155 8.9952 9.0731 9.3670 9.4083 11.3051 11.3324 k = 0.2382-0.4836-0.9012 ( 3211 PWs) bands (ev): -9.0250 -8.9976 -8.9778 -8.9632 -8.9448 -8.8867 -8.8799 -8.8524 -8.6206 -8.5425 -8.5206 -8.5194 -8.4546 -8.4257 -8.3840 -8.3782 -8.3576 -8.3270 -8.2459 -8.2406 -6.5305 -6.5210 -6.2808 -6.2776 -0.8727 -0.8409 0.2193 0.2840 2.1983 2.2296 2.4692 2.5000 2.7430 2.8217 4.2675 4.2973 4.7002 4.7516 8.5240 8.5774 8.9907 9.0727 9.3718 9.4132 11.2749 11.3035 k = 0.2442-0.4957-0.9237 ( 3209 PWs) bands (ev): -9.0260 -8.9991 -8.9784 -8.9649 -8.9454 -8.8859 -8.8801 -8.8517 -8.6228 -8.5430 -8.5213 -8.5202 -8.4540 -8.4247 -8.3837 -8.3778 -8.3585 -8.3270 -8.2452 -8.2398 -6.4903 -6.4808 -6.2507 -6.2475 -0.9025 -0.8685 0.1736 0.2410 2.1948 2.2615 2.4249 2.4452 2.6737 2.7491 4.2632 4.2943 4.6550 4.7065 8.4896 8.5361 8.9826 9.0675 9.3913 9.4318 11.2420 11.2718 k = 0.2501-0.5078-0.9462 ( 3215 PWs) bands (ev): -9.0269 -9.0005 -8.9789 -8.9665 -8.9458 -8.8851 -8.8803 -8.8511 -8.6250 -8.5434 -8.5220 -8.5209 -8.4533 -8.4238 -8.3835 -8.3775 -8.3595 -8.3271 -8.2447 -8.2391 -6.4520 -6.4425 -6.2224 -6.2193 -0.9311 -0.8949 0.1325 0.2028 2.1627 2.2672 2.3844 2.4464 2.6144 2.6809 4.2555 4.2883 4.6094 4.6608 8.4529 8.4922 8.9724 9.0598 9.4225 9.4618 11.2071 11.2379 k = 0.2561-0.5199-0.9687 ( 3215 PWs) bands (ev): -9.0277 -9.0018 -8.9794 -8.9680 -8.9463 -8.8843 -8.8805 -8.8504 -8.6271 -8.5438 -8.5228 -8.5215 -8.4526 -8.4230 -8.3832 -8.3772 -8.3604 -8.3271 -8.2441 -8.2384 -6.4156 -6.4062 -6.1963 -6.1932 -0.9580 -0.9197 0.0962 0.1694 2.1113 2.2261 2.3765 2.4710 2.5756 2.6218 4.2440 4.2790 4.5639 4.6151 8.4140 8.4465 8.9621 9.0522 9.4623 9.5009 11.1713 11.2030 k = 0.2620-0.5320-0.9913 ( 3217 PWs) bands (ev): -9.0285 -9.0029 -8.9799 -8.9693 -8.9467 -8.8836 -8.8807 -8.8497 -8.6291 -8.5441 -8.5235 -8.5221 -8.4520 -8.4222 -8.3829 -8.3769 -8.3613 -8.3272 -8.2437 -8.2379 -6.3814 -6.3720 -6.1722 -6.1692 -0.9829 -0.9425 0.0645 0.1406 2.0523 2.1656 2.3591 2.4856 2.5693 2.5959 4.2282 4.2662 4.5193 4.5702 8.3733 8.3999 8.9529 9.0460 9.5084 9.5468 11.1356 11.1682 k = 0.2680-0.5441-1.0138 ( 3222 PWs) bands (ev): -9.0292 -9.0040 -8.9803 -8.9705 -8.9470 -8.8828 -8.8809 -8.8491 -8.6309 -8.5444 -8.5242 -8.5226 -8.4513 -8.4214 -8.3827 -8.3767 -8.3622 -8.3272 -8.2433 -8.2373 -6.3494 -6.3401 -6.1504 -6.1475 -1.0057 -0.9633 0.0374 0.1164 1.9917 2.1028 2.3192 2.4525 2.6025 2.6246 4.2076 4.2494 4.4761 4.5269 8.3311 8.3532 8.9456 9.0418 9.5588 9.5977 11.1009 11.1345 k = 0.2740-0.5562-1.0363 ( 3220 PWs) bands (ev): -9.0298 -9.0049 -8.9807 -8.9716 -8.9473 -8.8821 -8.8810 -8.8484 -8.6327 -8.5446 -8.5249 -8.5231 -8.4507 -8.4207 -8.3825 -8.3765 -8.3630 -8.3273 -8.2429 -8.2369 -6.3198 -6.3106 -6.1309 -6.1280 -1.0261 -0.9817 0.0145 0.0966 1.9324 2.0418 2.2695 2.4014 2.6573 2.6759 4.1818 4.2281 4.4352 4.4858 8.2880 8.3075 8.9402 9.0394 9.6123 9.6523 11.0686 11.1034 k = 0.2799-0.5682-1.0589 ( 3214 PWs) bands (ev): -9.0303 -9.0056 -8.9811 -8.9724 -8.9476 -8.8815 -8.8811 -8.8478 -8.6343 -8.5448 -8.5255 -8.5236 -8.4500 -8.4200 -8.3822 -8.3763 -8.3638 -8.3273 -8.2425 -8.2364 -6.2928 -6.2836 -6.1137 -6.1108 -1.0441 -0.9977 -0.0042 0.0808 1.8758 1.9842 2.2184 2.3498 2.7198 2.7358 4.1507 4.2021 4.3970 4.4478 8.2446 8.2634 8.9365 9.0385 9.6678 9.7093 11.0396 11.0761 k = 0.2859-0.5803-1.0814 ( 3214 PWs) bands (ev): -9.0307 -9.0062 -8.9814 -8.9732 -8.9478 -8.8815 -8.8807 -8.8472 -8.6358 -8.5449 -8.5261 -8.5240 -8.4494 -8.4194 -8.3820 -8.3761 -8.3645 -8.3273 -8.2423 -8.2361 -6.2683 -6.2591 -6.0988 -6.0961 -1.0595 -1.0113 -0.0191 0.0688 1.8228 1.9306 2.1692 2.3012 2.7860 2.7999 4.1147 4.1712 4.3619 4.4129 8.2020 8.2213 8.9340 9.0384 9.7243 9.7677 11.0152 11.0536 k = 0.2918-0.5924-1.1039 ( 3214 PWs) bands (ev): -9.0311 -9.0068 -8.9818 -8.9738 -8.9480 -8.8816 -8.8802 -8.8467 -8.6372 -8.5451 -8.5266 -8.5244 -8.4488 -8.4188 -8.3818 -8.3760 -8.3652 -8.3274 -8.2420 -8.2358 -6.2464 -6.2374 -6.0863 -6.0836 -1.0724 -1.0226 -0.0306 0.0602 1.7741 1.8815 2.1237 2.2570 2.8542 2.8662 4.0746 4.1360 4.3296 4.3811 8.1609 8.1817 8.9320 9.0382 9.7810 9.8269 10.9963 11.0372 k = 0.2978-0.6045-1.1264 ( 3214 PWs) bands (ev): -9.0314 -9.0072 -8.9821 -8.9743 -8.9482 -8.8817 -8.8797 -8.8462 -8.6385 -8.5452 -8.5271 -8.5248 -8.4483 -8.4183 -8.3816 -8.3760 -8.3658 -8.3274 -8.2418 -8.2355 -6.2272 -6.2182 -6.0762 -6.0735 -1.0829 -1.0315 -0.0390 0.0544 1.7301 1.8374 2.0830 2.2178 2.9230 2.9335 4.0313 4.0972 4.2998 4.3520 8.1221 8.1449 8.9296 9.0372 9.8373 9.8859 10.9838 11.0277 k = 0.3037-0.6166-1.1490 ( 3214 PWs) bands (ev): -9.0317 -9.0076 -8.9824 -8.9747 -8.9484 -8.8818 -8.8792 -8.8457 -8.6396 -8.5452 -8.5275 -8.5251 -8.4478 -8.4179 -8.3814 -8.3760 -8.3663 -8.3275 -8.2417 -8.2353 -6.2107 -6.2018 -6.0683 -6.0656 -1.0912 -1.0384 -0.0448 0.0510 1.6913 1.7986 2.0479 2.1844 2.9915 3.0012 3.9858 4.0559 4.2721 4.3250 8.0865 8.1112 8.9262 9.0346 9.8926 9.9443 10.9786 11.0260 k = 0.3097-0.6287-1.1715 ( 3212 PWs) bands (ev): -9.0318 -9.0078 -8.9827 -8.9750 -8.9485 -8.8819 -8.8788 -8.8454 -8.6405 -8.5453 -8.5279 -8.5253 -8.4474 -8.4176 -8.3813 -8.3760 -8.3667 -8.3275 -8.2415 -8.2352 -6.1969 -6.1880 -6.0627 -6.0600 -1.0975 -1.0435 -0.0484 0.0494 1.6580 1.7654 2.0191 2.1572 3.0584 3.0686 3.9391 4.0133 4.2459 4.2997 8.0544 8.0810 8.9208 9.0296 9.9463 10.0015 10.9812 11.0325 k = 0.3157-0.6408-1.1940 ( 3214 PWs) bands (ev): -9.0320 -9.0080 -8.9829 -8.9752 -8.9486 -8.8820 -8.8785 -8.8451 -8.6413 -8.5453 -8.5281 -8.5255 -8.4471 -8.4173 -8.3811 -8.3760 -8.3671 -8.3276 -8.2414 -8.2350 -6.1856 -6.1768 -6.0591 -6.0564 -1.1020 -1.0470 -0.0505 0.0490 1.6307 1.7381 1.9974 2.1367 3.1227 3.1350 3.8921 3.9706 4.2209 4.2758 8.0265 8.0548 8.9130 9.0214 9.9981 10.0570 10.9920 11.0475 k = 0.3216-0.6529-1.2166 ( 3216 PWs) bands (ev): -9.0320 -9.0081 -8.9831 -8.9753 -8.9487 -8.8820 -8.8783 -8.8448 -8.6419 -8.5453 -8.5283 -8.5257 -8.4468 -8.4171 -8.3810 -8.3761 -8.3673 -8.3276 -8.2414 -8.2350 -6.1768 -6.1681 -6.0577 -6.0549 -1.1050 -1.0492 -0.0515 0.0491 1.6096 1.7170 1.9832 2.1235 3.1834 3.1995 3.8456 3.9287 4.1972 4.2533 8.0030 8.0329 8.9020 9.0098 10.0479 10.1106 11.0108 11.0708 k = 0.3276-0.6650-1.2391 ( 3210 PWs) bands (ev): -9.0320 -9.0082 -8.9832 -8.9753 -8.9487 -8.8820 -8.8781 -8.8447 -8.6423 -8.5453 -8.5284 -8.5257 -8.4467 -8.4169 -8.3810 -8.3761 -8.3675 -8.3276 -8.2413 -8.2349 -6.1705 -6.1618 -6.0581 -6.0553 -1.1069 -1.0506 -0.0520 0.0492 1.5950 1.7023 1.9771 2.1180 3.2393 3.2607 3.8004 3.8889 4.1747 4.2323 7.9844 8.0156 8.8875 8.9942 10.0954 10.1618 11.0374 11.1020 k = 0.3335-0.6771-1.2616 ( 3212 PWs) bands (ev): -9.0320 -9.0082 -8.9833 -8.9753 -8.9487 -8.8821 -8.8781 -8.8447 -8.6426 -8.5454 -8.5284 -8.5258 -8.4466 -8.4169 -8.3809 -8.3762 -8.3675 -8.3276 -8.2413 -8.2349 -6.1665 -6.1579 -6.0603 -6.0575 -1.1079 -1.0514 -0.0525 0.0486 1.5872 1.6942 1.9797 2.1205 3.2892 3.3170 3.7578 3.8523 4.1539 4.2131 7.9709 8.0033 8.8693 8.9747 10.1406 10.2104 11.0713 11.1403 k = 0.3395-0.6892-1.2841 ( 3210 PWs) bands (ev): -9.0319 -9.0081 -8.9834 -8.9752 -8.9487 -8.8820 -8.8781 -8.8447 -8.6426 -8.5454 -8.5282 -8.5257 -8.4467 -8.4170 -8.3809 -8.3762 -8.3675 -8.3276 -8.2413 -8.2349 -6.1647 -6.1561 -6.0642 -6.0613 -1.1084 -1.0519 -0.0534 0.0470 1.5863 1.6929 1.9911 2.1312 3.3312 3.3664 3.7194 3.8200 4.1352 4.1960 7.9628 7.9961 8.8474 8.9511 10.1831 10.2561 11.1113 11.1846 k = 0.6605-0.5727-1.2145 ( 3210 PWs) bands (ev): -9.0319 -9.0081 -8.9834 -8.9752 -8.9487 -8.8820 -8.8781 -8.8447 -8.6426 -8.5454 -8.5282 -8.5257 -8.4467 -8.4170 -8.3809 -8.3762 -8.3675 -8.3276 -8.2413 -8.2349 -6.1647 -6.1561 -6.0642 -6.0613 -1.1084 -1.0519 -0.0534 0.0470 1.5863 1.6929 1.9911 2.1312 3.3312 3.3664 3.7194 3.8200 4.1352 4.1960 7.9628 7.9961 8.8474 8.9511 10.1831 10.2561 11.1113 11.1846 k = 0.6546-0.5472-1.2145 ( 3206 PWs) bands (ev): -9.0318 -9.0080 -8.9833 -8.9751 -8.9486 -8.8820 -8.8783 -8.8449 -8.6424 -8.5454 -8.5280 -8.5256 -8.4469 -8.4171 -8.3810 -8.3762 -8.3673 -8.3276 -8.2413 -8.2349 -6.1649 -6.1564 -6.0696 -6.0666 -1.1087 -1.0526 -0.0551 0.0437 1.5924 1.6984 2.0117 2.1505 3.3637 3.4055 3.6879 3.7933 4.1192 4.1815 7.9601 7.9942 8.8218 8.9238 10.2228 10.2985 11.1564 11.2336 k = 0.6486-0.5216-1.2145 ( 3208 PWs) bands (ev): -9.0316 -9.0079 -8.9832 -8.9750 -8.9485 -8.8820 -8.8785 -8.8451 -8.6420 -8.5455 -8.5277 -8.5253 -8.4472 -8.4173 -8.3810 -8.3762 -8.3671 -8.3276 -8.2414 -8.2350 -6.1669 -6.1585 -6.0763 -6.0733 -1.1090 -1.0537 -0.0580 0.0387 1.6055 1.7107 2.0414 2.1783 3.3850 3.4300 3.6668 3.7731 4.1069 4.1703 7.9630 7.9977 8.7928 8.8930 10.2594 10.3373 11.2049 11.2857 k = 0.6427-0.4961-1.2145 ( 3204 PWs) bands (ev): -9.0314 -9.0078 -8.9830 -8.9749 -8.9483 -8.8819 -8.8789 -8.8455 -8.6414 -8.5456 -8.5272 -8.5250 -8.4477 -8.4176 -8.3811 -8.3762 -8.3667 -8.3275 -8.2414 -8.2351 -6.1707 -6.1623 -6.0842 -6.0811 -1.1097 -1.0554 -0.0622 0.0317 1.6255 1.7297 2.0803 2.2146 3.3946 3.4364 3.6593 3.7591 4.0991 4.1629 7.9715 8.0065 8.7606 8.8590 10.2924 10.3721 11.2548 11.3389 k = 0.6367-0.4706-1.2145 ( 3208 PWs) bands (ev): -9.0311 -9.0077 -8.9828 -8.9748 -8.9481 -8.8819 -8.8793 -8.8460 -8.6406 -8.5458 -8.5267 -8.5246 -8.4483 -8.4181 -8.3812 -8.3762 -8.3662 -8.3275 -8.2415 -8.2352 -6.1759 -6.1676 -6.0931 -6.0900 -1.1110 -1.0579 -0.0678 0.0228 1.6522 1.7552 2.1279 2.2592 3.3937 3.4263 3.6631 3.7496 4.0967 4.1599 7.9853 8.0204 8.7256 8.8222 10.3213 10.4022 11.3034 11.3903 k = 0.6308-0.4451-1.2145 ( 3204 PWs) bands (ev): -9.0308 -9.0075 -8.9825 -8.9747 -8.9478 -8.8820 -8.8797 -8.8466 -8.6395 -8.5460 -8.5261 -8.5239 -8.4490 -8.4186 -8.3813 -8.3763 -8.3655 -8.3275 -8.2415 -8.2353 -6.1824 -6.1743 -6.1030 -6.0997 -1.1128 -1.0613 -0.0750 0.0119 1.6852 1.7870 2.1840 2.3119 3.3845 3.4058 3.6719 3.7421 4.1000 4.1615 8.0042 8.0391 8.6882 8.7830 10.3455 10.4272 11.3468 11.4358 k = 0.6249-0.4195-1.2145 ( 3200 PWs) bands (ev): -9.0305 -9.0074 -8.9822 -8.9745 -8.9474 -8.8823 -8.8800 -8.8473 -8.6382 -8.5463 -8.5255 -8.5231 -8.4498 -8.4192 -8.3815 -8.3764 -8.3647 -8.3274 -8.2416 -8.2355 -6.1901 -6.1821 -6.1135 -6.1102 -1.1155 -1.0657 -0.0835 -0.0008 1.7243 1.8245 2.2480 2.3722 3.3700 3.3808 3.6804 3.7345 4.1088 4.1675 8.0276 8.0620 8.6491 8.7421 10.3644 10.4464 11.3798 11.4696 k = 0.6189-0.3940-1.2145 ( 3206 PWs) bands (ev): -9.0301 -9.0073 -8.9818 -8.9744 -8.9470 -8.8829 -8.8801 -8.8481 -8.6367 -8.5467 -8.5249 -8.5221 -8.4507 -8.4200 -8.3816 -8.3766 -8.3638 -8.3274 -8.2416 -8.2357 -6.1987 -6.1909 -6.1247 -6.1213 -1.1189 -1.0712 -0.0934 -0.0151 1.7687 1.8673 2.3194 2.4397 3.3520 3.3554 3.6857 3.7253 4.1224 4.1774 8.0545 8.0881 8.6089 8.7000 10.3772 10.4590 11.3953 11.4840 k = 0.6130-0.3685-1.2145 ( 3200 PWs) bands (ev): -9.0297 -9.0073 -8.9814 -8.9743 -8.9466 -8.8837 -8.8800 -8.8489 -8.6350 -8.5471 -8.5242 -8.5209 -8.4518 -8.4208 -8.3817 -8.3767 -8.3627 -8.3274 -8.2417 -8.2358 -6.2081 -6.2004 -6.1363 -6.1328 -1.1232 -1.0776 -0.1044 -0.0306 1.8178 1.9146 2.3974 2.5137 3.3287 3.3357 3.6873 3.7144 4.1395 4.1903 8.0837 8.1158 8.5689 8.6577 10.3829 10.4640 11.3857 11.4705 k = 0.6070-0.3430-1.2145 ( 3202 PWs) bands (ev): -9.0293 -9.0073 -8.9809 -8.9742 -8.9460 -8.8848 -8.8798 -8.8499 -8.6331 -8.5477 -8.5235 -8.5196 -8.4529 -8.4218 -8.3818 -8.3769 -8.3615 -8.3273 -8.2417 -8.2360 -6.2181 -6.2106 -6.1481 -6.1446 -1.1282 -1.0849 -0.1163 -0.0472 1.8707 1.9656 2.4813 2.5936 3.3060 3.3186 3.6848 3.7024 4.1586 4.2052 8.1127 8.1428 8.5308 8.6166 10.3805 10.4599 11.3442 11.4126 k = 0.6011-0.3174-1.2145 ( 3198 PWs) bands (ev): -9.0288 -9.0073 -8.9804 -8.9741 -8.9454 -8.8861 -8.8795 -8.8509 -8.6310 -8.5484 -8.5227 -8.5180 -8.4541 -8.4229 -8.3819 -8.3772 -8.3602 -8.3273 -8.2417 -8.2362 -6.2284 -6.2212 -6.1601 -6.1566 -1.1339 -1.0930 -0.1289 -0.0645 1.9266 2.0193 2.5703 2.6786 3.2865 3.3039 3.6778 3.6912 4.1788 4.2210 8.1376 8.1661 8.4975 8.5791 10.3685 10.4451 11.2513 11.2916 k = 0.5951-0.2919-1.2145 ( 3200 PWs) bands (ev): -9.0283 -9.0073 -8.9799 -8.9740 -8.9447 -8.8875 -8.8792 -8.8519 -8.6287 -8.5492 -8.5219 -8.5164 -8.4554 -8.4241 -8.3820 -8.3775 -8.3589 -8.3274 -8.2417 -8.2364 -6.2391 -6.2320 -6.1721 -6.1687 -1.1402 -1.1018 -0.1421 -0.0822 1.9844 2.0746 2.6632 2.7677 3.2713 3.2924 3.6659 3.6827 4.1990 4.2370 8.1516 8.1819 8.4730 8.5493 10.3456 10.4171 11.1095 11.1756 k = 0.5892-0.2664-1.2145 ( 3202 PWs) bands (ev): -9.0277 -9.0075 -8.9794 -8.9739 -8.9439 -8.8890 -8.8789 -8.8531 -8.6262 -8.5501 -8.5210 -8.5146 -8.4567 -8.4254 -8.3821 -8.3778 -8.3574 -8.3274 -8.2417 -8.2366 -6.2498 -6.2430 -6.1841 -6.1806 -1.1469 -1.1110 -0.1555 -0.1002 2.0428 2.1302 2.7592 2.8599 3.2612 3.2853 3.6515 3.6761 4.2186 4.2526 8.1469 8.1861 8.4609 8.5324 10.3103 10.3738 10.9686 11.0368 k = 0.5832-0.2409-1.2145 ( 3202 PWs) bands (ev): -9.0271 -9.0076 -8.9789 -8.9739 -8.9431 -8.8907 -8.8785 -8.8542 -8.6236 -8.5512 -8.5201 -8.5128 -8.4580 -8.4268 -8.3822 -8.3781 -8.3559 -8.3275 -8.2418 -8.2368 -6.2605 -6.2540 -6.1958 -6.1924 -1.1540 -1.1206 -0.1689 -0.1180 2.1005 2.1848 2.8568 2.9538 3.2574 3.2834 3.6368 3.6709 4.2371 4.2673 8.1220 8.1734 8.4617 8.5311 10.2624 10.3144 10.8357 10.8965 k = 0.5773-0.2153-1.2145 ( 3200 PWs) bands (ev): -9.0265 -9.0079 -8.9783 -8.9738 -8.9421 -8.8925 -8.8780 -8.8554 -8.6209 -8.5523 -8.5190 -8.5109 -8.4593 -8.4284 -8.3822 -8.3784 -8.3544 -8.3276 -8.2417 -8.2371 -6.2710 -6.2648 -6.2071 -6.2038 -1.1612 -1.1304 -0.1822 -0.1356 2.1564 2.2369 2.9542 3.0469 3.2610 3.2884 3.6227 3.6677 4.2542 4.2809 8.0812 8.1423 8.4718 8.5418 10.2038 10.2418 10.7103 10.7606 k = 0.5713-0.1898-1.2145 ( 3200 PWs) bands (ev): -9.0259 -9.0082 -8.9778 -8.9737 -8.9411 -8.8943 -8.8776 -8.8565 -8.6180 -8.5536 -8.5179 -8.5090 -8.4605 -8.4301 -8.3823 -8.3787 -8.3528 -8.3278 -8.2417 -8.2373 -6.2812 -6.2753 -6.2181 -6.2149 -1.1685 -1.1402 -0.1951 -0.1527 2.2091 2.2851 3.0491 3.1351 3.2736 3.3032 3.6099 3.6679 4.2699 4.2933 8.0296 8.0963 8.4852 8.5568 10.1389 10.1628 10.5913 10.6305 k = 0.5654-0.1643-1.2145 ( 3200 PWs) bands (ev): -9.0252 -9.0086 -8.9773 -8.9737 -8.9399 -8.8963 -8.8771 -8.8577 -8.6150 -8.5551 -8.5167 -8.5072 -8.4616 -8.4319 -8.3823 -8.3790 -8.3512 -8.3280 -8.2417 -8.2376 -6.2909 -6.2855 -6.2284 -6.2254 -1.1757 -1.1499 -0.2074 -0.1691 2.2574 2.3283 3.1371 3.2092 3.2958 3.3363 3.5993 3.6733 4.2841 4.3045 7.9710 8.0402 8.4959 8.5691 10.0731 10.0866 10.4780 10.5075 k = 0.5595-0.1388-1.2145 ( 3198 PWs) bands (ev): -9.0245 -9.0090 -8.9768 -8.9736 -8.9387 -8.8984 -8.8765 -8.8589 -8.6119 -8.5567 -8.5155 -8.5054 -8.4627 -8.4337 -8.3824 -8.3793 -8.3495 -8.3283 -8.2416 -8.2378 -6.3002 -6.2951 -6.2382 -6.2354 -1.1826 -1.1593 -0.2191 -0.1847 2.3006 2.3656 3.2110 3.2626 3.3270 3.3958 3.5931 3.6863 4.2967 4.3145 7.9081 7.9774 8.4991 8.5731 10.0101 10.0241 10.3711 10.3929 k = 0.5535-0.1133-1.2145 ( 3196 PWs) bands (ev): -9.0238 -9.0095 -8.9763 -8.9735 -8.9374 -8.9006 -8.8760 -8.8601 -8.6088 -8.5584 -8.5143 -8.5038 -8.4635 -8.4357 -8.3824 -8.3796 -8.3479 -8.3286 -8.2415 -8.2380 -6.3088 -6.3041 -6.2473 -6.2446 -1.1891 -1.1684 -0.2299 -0.1993 2.3382 2.3966 3.2639 3.3038 3.3693 3.4658 3.5966 3.7099 4.3078 4.3235 7.8427 7.9105 8.4921 8.5653 9.9577 9.9781 10.2717 10.2879 k = 0.5476-0.0877-1.2145 ( 3200 PWs) bands (ev): -9.0230 -9.0101 -8.9759 -8.9735 -8.9359 -8.9028 -8.8754 -8.8612 -8.6056 -8.5603 -8.5129 -8.5024 -8.4640 -8.4378 -8.3824 -8.3799 -8.3463 -8.3290 -8.2414 -8.2383 -6.3167 -6.3124 -6.2556 -6.2531 -1.1952 -1.1769 -0.2397 -0.2128 2.3700 2.4215 3.3013 3.3376 3.4177 3.5175 3.6264 3.7460 4.3176 4.3315 7.7768 7.8417 8.4741 8.5445 9.9222 9.9480 10.1810 10.1935 k = 0.5416-0.0622-1.2145 ( 3196 PWs) bands (ev): -9.0222 -9.0107 -8.9755 -8.9734 -8.9344 -8.9050 -8.8747 -8.8624 -8.6024 -8.5623 -8.5116 -8.5012 -8.4643 -8.4400 -8.3823 -8.3802 -8.3447 -8.3295 -8.2413 -8.2385 -6.3238 -6.3200 -6.2630 -6.2608 -1.2007 -1.1847 -0.2484 -0.2251 2.3962 2.4407 3.3311 3.3658 3.4620 3.5394 3.6894 3.7935 4.3261 4.3388 7.7122 7.7728 8.4464 8.5118 9.9041 9.9332 10.1001 10.1107 k = 0.5357-0.0367-1.2145 ( 3196 PWs) bands (ev): -9.0214 -9.0114 -8.9751 -8.9734 -8.9328 -8.9073 -8.8740 -8.8635 -8.5991 -8.5645 -8.5102 -8.5004 -8.4641 -8.4422 -8.3823 -8.3805 -8.3432 -8.3301 -8.2412 -8.2388 -6.3300 -6.3268 -6.2695 -6.2676 -1.2055 -1.1919 -0.2559 -0.2361 2.4175 2.4549 3.3551 3.3884 3.4998 3.5520 3.7629 3.8477 4.3334 4.3454 7.6509 7.7058 8.4119 8.4705 9.9004 9.9311 10.0295 10.0404 k = 0.5297-0.0112-1.2145 ( 3192 PWs) bands (ev): -9.0205 -9.0121 -8.9748 -8.9734 -8.9310 -8.9096 -8.8733 -8.8645 -8.5959 -8.5668 -8.5088 -8.4999 -8.4636 -8.4445 -8.3822 -8.3807 -8.3417 -8.3307 -8.2411 -8.2390 -6.3353 -6.3326 -6.2751 -6.2735 -1.2096 -1.1982 -0.2622 -0.2458 2.4343 2.4650 3.3738 3.4042 3.5328 3.5661 3.8342 3.9024 4.3399 4.3514 7.5948 7.6430 8.3747 8.4250 9.9045 9.9371 9.9704 9.9861 k = 0.5238 0.0144-1.2145 ( 3190 PWs) bands (ev): -9.0197 -9.0129 -8.9745 -8.9734 -8.9292 -8.9119 -8.8726 -8.8655 -8.5926 -8.5692 -8.5074 -8.4998 -8.4627 -8.4468 -8.3822 -8.3809 -8.3403 -8.3314 -8.2409 -8.2392 -6.3397 -6.3375 -6.2797 -6.2784 -1.2127 -1.2037 -0.2672 -0.2541 2.4475 2.4716 3.3876 3.4134 3.5618 3.5826 3.8982 3.9520 4.3457 4.3564 7.5462 7.5865 8.3387 8.3798 9.8988 9.9186 9.9485 9.9637 k = 0.5178 0.0399-1.2145 ( 3192 PWs) bands (ev): -9.0188 -9.0137 -8.9742 -8.9734 -8.9272 -8.9142 -8.8718 -8.8665 -8.5894 -8.5718 -8.5061 -8.5000 -8.4614 -8.4491 -8.3821 -8.3812 -8.3389 -8.3322 -8.2407 -8.2395 -6.3431 -6.3414 -6.2833 -6.2823 -1.2150 -1.2083 -0.2707 -0.2610 2.4577 2.4755 3.3976 3.4174 3.5865 3.5993 3.9521 3.9926 4.3510 4.3604 7.5071 7.5383 8.3077 8.3390 9.8736 9.8812 9.9596 9.9729 k = 0.5119 0.0654-1.2145 ( 3196 PWs) bands (ev): -9.0180 -9.0145 -8.9740 -8.9735 -8.9252 -8.9165 -8.8710 -8.8675 -8.5863 -8.5745 -8.5048 -8.5006 -8.4598 -8.4515 -8.3820 -8.3814 -8.3376 -8.3332 -8.2406 -8.2397 -6.3455 -6.3443 -6.2858 -6.2852 -1.2164 -1.2119 -0.2728 -0.2663 2.4654 2.4771 3.4048 3.4181 3.6057 3.6132 3.9940 4.0212 4.3559 4.3629 7.4793 7.5006 8.2849 8.3059 9.8501 9.8539 9.9747 9.9848 k = 0.5059 0.0909-1.2145 ( 3200 PWs) bands (ev): -9.0171 -9.0154 -8.9738 -8.9736 -8.9232 -8.9188 -8.8702 -8.8685 -8.5832 -8.5773 -8.5035 -8.5014 -8.4580 -8.4537 -8.3819 -8.3816 -8.3364 -8.3341 -8.2404 -8.2400 -6.3468 -6.3462 -6.2873 -6.2869 -1.2168 -1.2145 -0.2734 -0.2702 2.4710 2.4768 3.4101 3.4168 3.6184 3.6218 4.0225 4.0362 4.3599 4.3637 7.4642 7.4750 8.2724 8.2830 9.8356 9.8372 9.9870 9.9923 k = 0.5000 0.1165-1.2145 ( 3196 PWs) bands (ev): -9.0162 -9.0162 -8.9737 -8.9737 -8.9210 -8.9210 -8.8693 -8.8693 -8.5802 -8.5802 -8.5024 -8.5024 -8.4559 -8.4559 -8.3817 -8.3817 -8.3352 -8.3352 -8.2402 -8.2402 -6.3470 -6.3470 -6.2877 -6.2877 -1.2162 -1.2162 -0.2726 -0.2726 2.4747 2.4747 3.4140 3.4140 3.6238 3.6238 4.0367 4.0367 4.3627 4.3627 7.4627 7.4627 8.2716 8.2716 9.8312 9.8312 9.9932 9.9932 k = 0.5000 0.1165-1.2145 ( 3196 PWs) bands (ev): -9.0162 -9.0162 -8.9737 -8.9737 -8.9210 -8.9210 -8.8693 -8.8693 -8.5802 -8.5802 -8.5024 -8.5024 -8.4559 -8.4559 -8.3817 -8.3817 -8.3352 -8.3352 -8.2402 -8.2402 -6.3470 -6.3470 -6.2877 -6.2877 -1.2162 -1.2162 -0.2726 -0.2726 2.4747 2.4747 3.4140 3.4140 3.6238 3.6238 4.0367 4.0367 4.3627 4.3627 7.4627 7.4627 8.2716 8.2716 9.8312 9.8312 9.9932 9.9932 k = 0.5229 0.1218-1.2045 ( 3197 PWs) bands (ev): -9.0165 -9.0159 -8.9740 -8.9733 -8.9210 -8.9210 -8.8694 -8.8693 -8.5803 -8.5800 -8.5025 -8.5022 -8.4559 -8.4559 -8.3817 -8.3817 -8.3352 -8.3352 -8.2402 -8.2401 -6.3481 -6.3473 -6.2876 -6.2868 -1.2165 -1.2165 -0.2717 -0.2714 2.4726 2.4753 3.4124 3.4190 3.6243 3.6254 4.0347 4.0368 4.3588 4.3600 7.4680 7.4681 8.2682 8.2683 9.8165 9.8330 9.9957 10.0126 k = 0.5459 0.1272-1.1946 ( 3192 PWs) bands (ev): -9.0168 -9.0156 -8.9743 -8.9729 -8.9210 -8.9210 -8.8694 -8.8692 -8.5804 -8.5799 -8.5027 -8.5021 -8.4560 -8.4559 -8.3817 -8.3817 -8.3352 -8.3352 -8.2402 -8.2401 -6.3504 -6.3489 -6.2867 -6.2852 -1.2174 -1.2173 -0.2687 -0.2682 2.4689 2.4742 3.4139 3.4271 3.6269 3.6291 4.0310 4.0353 4.3487 4.3510 7.4835 7.4839 8.2582 8.2586 9.7966 9.8226 10.0193 10.0463 k = 0.5688 0.1325-1.1846 ( 3197 PWs) bands (ev): -9.0171 -9.0154 -8.9747 -8.9726 -8.9210 -8.9210 -8.8695 -8.8692 -8.5805 -8.5797 -8.5028 -8.5020 -8.4560 -8.4559 -8.3817 -8.3817 -8.3352 -8.3352 -8.2402 -8.2402 -6.3538 -6.3517 -6.2851 -6.2831 -1.2187 -1.2187 -0.2638 -0.2631 2.4638 2.4716 3.4184 3.4381 3.6317 3.6349 4.0254 4.0321 4.3330 4.3363 7.5087 7.5095 8.2417 8.2426 9.7776 9.8081 10.0556 10.0877 k = 0.5917 0.1378-1.1747 ( 3201 PWs) bands (ev): -9.0174 -9.0151 -8.9750 -8.9723 -8.9210 -8.9209 -8.8696 -8.8691 -8.5805 -8.5795 -8.5030 -8.5019 -8.4560 -8.4559 -8.3818 -8.3817 -8.3352 -8.3352 -8.2403 -8.2402 -6.3581 -6.3556 -6.2829 -6.2805 -1.2205 -1.2205 -0.2571 -0.2562 2.4575 2.4675 3.4254 3.4515 3.6387 3.6428 4.0178 4.0273 4.3128 4.3169 7.5425 7.5441 8.2191 8.2211 9.7629 9.7954 10.0982 10.1331 k = 0.6147 0.1432-1.1647 ( 3201 PWs) bands (ev): -9.0176 -9.0148 -8.9753 -8.9719 -8.9210 -8.9209 -8.8696 -8.8691 -8.5806 -8.5792 -8.5032 -8.5018 -8.4560 -8.4559 -8.3818 -8.3817 -8.3352 -8.3352 -8.2403 -8.2402 -6.3631 -6.3602 -6.2804 -6.2777 -1.2226 -1.2225 -0.2487 -0.2477 2.4500 2.4620 3.4344 3.4668 3.6477 3.6526 4.0082 4.0210 4.2896 4.2943 7.5833 7.5864 8.1908 8.1947 9.7539 9.7873 10.1432 10.1800 k = 0.6376 0.1485-1.1547 ( 3205 PWs) bands (ev): -9.0179 -9.0146 -8.9755 -8.9716 -8.9209 -8.9209 -8.8697 -8.8691 -8.5806 -8.5790 -8.5033 -8.5017 -8.4560 -8.4559 -8.3818 -8.3817 -8.3351 -8.3351 -8.2404 -8.2403 -6.3686 -6.3656 -6.2777 -6.2748 -1.2248 -1.2248 -0.2390 -0.2378 2.4414 2.4551 3.4447 3.4831 3.6587 3.6641 3.9967 4.0132 4.2650 4.2701 7.6295 7.6349 8.1577 8.1645 9.7514 9.7852 10.1885 10.2269 k = 0.6605 0.1539-1.1448 ( 3205 PWs) bands (ev): -9.0181 -9.0143 -8.9758 -8.9713 -8.9209 -8.9208 -8.8697 -8.8690 -8.5805 -8.5787 -8.5035 -8.5016 -8.4561 -8.4559 -8.3818 -8.3817 -8.3351 -8.3351 -8.2405 -8.2403 -6.3747 -6.3715 -6.2749 -6.2719 -1.2270 -1.2270 -0.2280 -0.2268 2.4318 2.4469 3.4558 3.4999 3.6713 3.6769 3.9835 4.0041 4.2408 4.2460 7.6787 7.6879 8.1206 8.1319 9.7557 9.7896 10.2324 10.2723 k = 0.6605 0.1539-1.1448 ( 3205 PWs) bands (ev): -9.0181 -9.0143 -8.9758 -8.9713 -8.9209 -8.9208 -8.8697 -8.8690 -8.5805 -8.5787 -8.5035 -8.5016 -8.4561 -8.4559 -8.3818 -8.3817 -8.3351 -8.3351 -8.2405 -8.2403 -6.3747 -6.3715 -6.2749 -6.2719 -1.2270 -1.2270 -0.2280 -0.2268 2.4318 2.4469 3.4558 3.4999 3.6713 3.6769 3.9835 4.0041 4.2408 4.2460 7.6787 7.6879 8.1206 8.1319 9.7557 9.7896 10.2324 10.2723 k = 0.6571 0.1531-1.1190 ( 3201 PWs) bands (ev): -9.0185 -9.0132 -8.9762 -8.9703 -8.9211 -8.9206 -8.8699 -8.8688 -8.5807 -8.5783 -8.5035 -8.5015 -8.4561 -8.4558 -8.3819 -8.3817 -8.3352 -8.3351 -8.2406 -8.2405 -6.3799 -6.3768 -6.2871 -6.2842 -1.2195 -1.2194 -0.2050 -0.2039 2.4504 2.4658 3.4326 3.4755 3.6623 3.6674 3.9861 4.0081 4.2423 4.2449 7.7036 7.7124 8.1382 8.1489 9.7701 9.8050 10.2495 10.2906 k = 0.6537 0.1523-1.0931 ( 3203 PWs) bands (ev): -9.0186 -9.0119 -8.9765 -8.9693 -8.9212 -8.9204 -8.8701 -8.8686 -8.5809 -8.5779 -8.5036 -8.5013 -8.4562 -8.4558 -8.3821 -8.3817 -8.3352 -8.3350 -8.2408 -8.2408 -6.3891 -6.3862 -6.3027 -6.2998 -1.2066 -1.2065 -0.1747 -0.1737 2.4633 2.4789 3.4059 3.4462 3.6587 3.6623 3.9918 4.0144 4.2519 4.2526 7.7318 7.7403 8.1565 8.1668 9.7884 9.8243 10.2713 10.3135 k = 0.6503 0.1515-1.0673 ( 3207 PWs) bands (ev): -9.0187 -9.0105 -8.9766 -8.9681 -8.9213 -8.9201 -8.8703 -8.8684 -8.5810 -8.5774 -8.5036 -8.5012 -8.4563 -8.4558 -8.3823 -8.3818 -8.3353 -8.3350 -8.2412 -8.2412 -6.4023 -6.3996 -6.3214 -6.3187 -1.1887 -1.1884 -0.1374 -0.1365 2.4706 2.4863 3.3756 3.4126 3.6599 3.6617 4.0008 4.0231 4.2690 4.2696 7.7630 7.7713 8.1757 8.1856 9.8106 9.8474 10.2976 10.3410 k = 0.6469 0.1507-1.0414 ( 3213 PWs) bands (ev): -9.0186 -9.0090 -8.9767 -8.9667 -8.9214 -8.9199 -8.8705 -8.8682 -8.5810 -8.5768 -8.5036 -8.5010 -8.4564 -8.4557 -8.3825 -8.3819 -8.3354 -8.3350 -8.2416 -8.2416 -6.4192 -6.4168 -6.3431 -6.3406 -1.1658 -1.1655 -0.0933 -0.0925 2.4728 2.4884 3.3419 3.3755 3.6652 3.6653 4.0128 4.0343 4.2942 4.2955 7.7969 7.8050 8.1956 8.2053 9.8364 9.8742 10.3284 10.3729 k = 0.6434 0.1499-1.0156 ( 3209 PWs) bands (ev): -9.0184 -9.0074 -8.9765 -8.9653 -8.9215 -8.9196 -8.8707 -8.8680 -8.5810 -8.5762 -8.5036 -8.5008 -8.4565 -8.4557 -8.3827 -8.3819 -8.3354 -8.3350 -8.2421 -8.2420 -6.4397 -6.4375 -6.3676 -6.3654 -1.1385 -1.1381 -0.0426 -0.0419 2.4706 2.4862 3.3054 3.3357 3.6725 3.6742 4.0276 4.0476 4.3280 4.3295 7.8333 7.8413 8.2164 8.2260 9.8657 9.9044 10.3635 10.4091 k = 0.6400 0.1491-0.9898 ( 3211 PWs) bands (ev): -9.0181 -9.0056 -8.9763 -8.9637 -8.9215 -8.9193 -8.8709 -8.8678 -8.5808 -8.5754 -8.5036 -8.5006 -8.4567 -8.4557 -8.3830 -8.3821 -8.3355 -8.3350 -8.2427 -8.2425 -6.4635 -6.4617 -6.3948 -6.3929 -1.1070 -1.1065 0.0144 0.0150 2.4650 2.4804 3.2663 3.2937 3.6834 3.6862 4.0447 4.0630 4.3699 4.3712 7.8718 7.8798 8.2379 8.2476 9.8985 9.9380 10.4026 10.4493 k = 0.6366 0.1483-0.9639 ( 3223 PWs) bands (ev): -9.0177 -9.0037 -8.9760 -8.9620 -8.9216 -8.9190 -8.8711 -8.8677 -8.5807 -8.5746 -8.5036 -8.5003 -8.4568 -8.4558 -8.3832 -8.3823 -8.3356 -8.3351 -8.2434 -8.2432 -6.4904 -6.4891 -6.4244 -6.4229 -1.0718 -1.0712 0.0774 0.0780 2.4569 2.4723 3.2252 3.2503 3.6974 3.7010 4.0638 4.0803 4.4191 4.4201 7.9121 7.9202 8.2604 8.2702 9.9345 9.9748 10.4454 10.4932 k = 0.6332 0.1475-0.9381 ( 3224 PWs) bands (ev): -9.0171 -9.0017 -8.9755 -8.9602 -8.9215 -8.9187 -8.8713 -8.8675 -8.5804 -8.5737 -8.5036 -8.5001 -8.4570 -8.4558 -8.3835 -8.3824 -8.3356 -8.3351 -8.2441 -8.2439 -6.5202 -6.5193 -6.4563 -6.4553 -1.0335 -1.0328 0.1462 0.1467 2.4476 2.4629 3.1827 3.2060 3.7142 3.7183 4.0846 4.0994 4.4749 4.4754 7.9540 7.9622 8.2839 8.2939 9.9736 10.0148 10.4916 10.5402 k = 0.6298 0.1467-0.9122 ( 3225 PWs) bands (ev): -9.0164 -8.9996 -8.9748 -8.9582 -8.9215 -8.9183 -8.8714 -8.8673 -8.5800 -8.5727 -8.5035 -8.4998 -8.4571 -8.4558 -8.3838 -8.3827 -8.3356 -8.3351 -8.2449 -8.2446 -6.5525 -6.5522 -6.4903 -6.4897 -0.9925 -0.9918 0.2202 0.2207 2.4381 2.4535 3.1392 3.1612 3.7336 3.7380 4.1069 4.1202 4.5364 4.5365 7.9971 8.0054 8.3085 8.3189 10.0157 10.0576 10.5406 10.5899 k = 0.6264 0.1459-0.8864 ( 3222 PWs) bands (ev): -9.0156 -8.9975 -8.9740 -8.9562 -8.9214 -8.9179 -8.8716 -8.8671 -8.5796 -8.5716 -8.5033 -8.4994 -8.4573 -8.4558 -8.3841 -8.3829 -8.3357 -8.3351 -8.2458 -8.2454 -6.5873 -6.5871 -6.5261 -6.5261 -0.9495 -0.9488 0.2992 0.2996 2.4295 2.4451 3.0954 3.1164 3.7554 3.7599 4.1307 4.1426 4.6024 4.6026 8.0410 8.0496 8.3344 8.3451 10.0606 10.1033 10.5917 10.6413 k = 0.6230 0.1451-0.8606 ( 3221 PWs) bands (ev): -9.0147 -8.9953 -8.9731 -8.9540 -8.9213 -8.9175 -8.8717 -8.8669 -8.5791 -8.5704 -8.5032 -8.4990 -8.4575 -8.4558 -8.3844 -8.3831 -8.3357 -8.3351 -8.2467 -8.2463 -6.6245 -6.6237 -6.5642 -6.5636 -0.9052 -0.9044 0.3827 0.3832 2.4227 2.4388 3.0516 3.0722 3.7795 3.7839 4.1560 4.1667 4.6723 4.6728 8.0855 8.0943 8.3617 8.3727 10.1081 10.1516 10.6443 10.6927 k = 0.6195 0.1443-0.8347 ( 3223 PWs) bands (ev): -9.0137 -8.9931 -8.9720 -8.9518 -8.9212 -8.9170 -8.8719 -8.8668 -8.5785 -8.5692 -8.5030 -8.4986 -8.4576 -8.4557 -8.3847 -8.3834 -8.3357 -8.3352 -8.2477 -8.2473 -6.6635 -6.6619 -6.6037 -6.6026 -0.8602 -0.8594 0.4703 0.4707 2.4188 2.4355 3.0086 3.0290 3.8057 3.8100 4.1826 4.1922 4.7453 4.7462 8.1304 8.1393 8.3905 8.4019 10.1580 10.2023 10.6970 10.7401 k = 0.6161 0.1435-0.8089 ( 3219 PWs) bands (ev): -9.0126 -8.9909 -8.9706 -8.9495 -8.9210 -8.9164 -8.8721 -8.8666 -8.5778 -8.5678 -8.5027 -8.4982 -8.4578 -8.4557 -8.3850 -8.3837 -8.3357 -8.3352 -8.2488 -8.2483 -6.7039 -6.7017 -6.6446 -6.6428 -0.8151 -0.8142 0.5614 0.5619 2.4185 2.4362 2.9667 2.9876 3.8338 3.8380 4.2105 4.2193 4.8207 4.8219 8.1753 8.1843 8.4211 8.4327 10.2100 10.2552 10.7471 10.7735 k = 0.6127 0.1427-0.7830 ( 3217 PWs) bands (ev): -9.0114 -8.9887 -8.9691 -8.9472 -8.9207 -8.9158 -8.8722 -8.8665 -8.5771 -8.5663 -8.5025 -8.4977 -8.4580 -8.4557 -8.3853 -8.3840 -8.3357 -8.3352 -8.2499 -8.2493 -6.7455 -6.7426 -6.6864 -6.6840 -0.7706 -0.7697 0.6555 0.6561 2.4225 2.4417 2.9266 2.9484 3.8638 3.8679 4.2398 4.2478 4.8978 4.8993 8.2200 8.2290 8.4534 8.4652 10.2638 10.3099 10.7847 10.7908 k = 0.6093 0.1419-0.7572 ( 3212 PWs) bands (ev): -9.0102 -8.9866 -8.9673 -8.9448 -8.9204 -8.9152 -8.8724 -8.8663 -8.5762 -8.5647 -8.5021 -8.4971 -8.4582 -8.4557 -8.3856 -8.3843 -8.3356 -8.3353 -8.2511 -8.2505 -6.7881 -6.7844 -6.7292 -6.7261 -0.7273 -0.7264 0.7519 0.7526 2.4314 2.4526 2.8889 2.9123 3.8956 3.8995 4.2704 4.2778 4.9761 4.9777 8.2645 8.2733 8.4874 8.4992 10.3188 10.3660 10.8010 10.8013 k = 0.6059 0.1411-0.7314 ( 3215 PWs) bands (ev): -9.0088 -8.9846 -8.9653 -8.9424 -8.9201 -8.9144 -8.8725 -8.8662 -8.5752 -8.5629 -8.5017 -8.4965 -8.4584 -8.4557 -8.3859 -8.3846 -8.3356 -8.3353 -8.2524 -8.2517 -6.8314 -6.8270 -6.7726 -6.7688 -0.6859 -0.6850 0.8499 0.8507 2.4457 2.4697 2.8545 2.8802 3.9290 3.9328 4.3022 4.3090 5.0548 5.0566 8.3086 8.3171 8.5229 8.5346 10.3747 10.4229 10.8083 10.8098 k = 0.6025 0.1403-0.7055 ( 3229 PWs) bands (ev): -9.0075 -8.9827 -8.9631 -8.9400 -8.9197 -8.9136 -8.8727 -8.8661 -8.5741 -8.5611 -8.5013 -8.4959 -8.4587 -8.4557 -8.3862 -8.3850 -8.3355 -8.3354 -8.2537 -8.2529 -6.8753 -6.8701 -6.8164 -6.8119 -0.6468 -0.6460 0.9485 0.9496 2.4655 2.4933 2.8241 2.8532 3.9641 3.9677 4.3352 4.3416 5.1335 5.1355 8.3526 8.3606 8.5595 8.5710 10.4306 10.4800 10.8138 10.8154 k = 0.5990 0.1395-0.6797 ( 3231 PWs) bands (ev): -9.0060 -8.9810 -8.9607 -8.9377 -8.9192 -8.9126 -8.8728 -8.8659 -8.5729 -8.5592 -8.5007 -8.4952 -8.4589 -8.4557 -8.3865 -8.3853 -8.3355 -8.3354 -8.2551 -8.2543 -6.9194 -6.9135 -6.8605 -6.8553 -0.6107 -0.6098 1.0467 1.0480 2.4909 2.5239 2.7990 2.8329 4.0006 4.0041 4.3693 4.3753 5.2117 5.2139 8.3964 8.4038 8.5968 8.6079 10.4860 10.5365 10.8175 10.8193 k = 0.5956 0.1387-0.6538 ( 3230 PWs) bands (ev): -9.0044 -8.9794 -8.9580 -8.9354 -8.9186 -8.9114 -8.8730 -8.8658 -8.5715 -8.5570 -8.5001 -8.4944 -8.4591 -8.4556 -8.3868 -8.3857 -8.3355 -8.3354 -8.2565 -8.2556 -6.9638 -6.9570 -6.9048 -6.8988 -0.5777 -0.5769 1.1431 1.1448 2.5213 2.5616 2.7805 2.8212 4.0385 4.0419 4.4044 4.4101 5.2889 5.2912 8.4405 8.4470 8.6341 8.6446 10.5397 10.5912 10.8196 10.8214 k = 0.5922 0.1379-0.6280 ( 3232 PWs) bands (ev): -9.0028 -8.9779 -8.9552 -8.9332 -8.9180 -8.9101 -8.8731 -8.8657 -8.5700 -8.5548 -8.4994 -8.4936 -8.4593 -8.4556 -8.3871 -8.3860 -8.3356 -8.3353 -8.2580 -8.2571 -7.0080 -7.0005 -6.9489 -6.9422 -0.5483 -0.5475 1.2363 1.2383 2.5562 2.6060 2.7706 2.8205 4.0777 4.0810 4.4405 4.4459 5.3647 5.3672 8.4848 8.4906 8.6705 8.6805 10.5907 10.6429 10.8197 10.8218 k = 0.5888 0.1372-0.6022 ( 3240 PWs) bands (ev): -9.0012 -8.9765 -8.9522 -8.9311 -8.9173 -8.9087 -8.8732 -8.8656 -8.5683 -8.5524 -8.4986 -8.4927 -8.4595 -8.4555 -8.3874 -8.3864 -8.3357 -8.3352 -8.2595 -8.2586 -7.0521 -7.0437 -6.9928 -6.9853 -0.5225 -0.5217 1.3244 1.3267 2.5947 2.6562 2.7720 2.8332 4.1181 4.1213 4.4775 4.4826 5.4387 5.4414 8.5297 8.5346 8.7053 8.7146 10.6375 10.6899 10.8178 10.8202 k = 0.5854 0.1364-0.5763 ( 3237 PWs) bands (ev): -8.9995 -8.9752 -8.9491 -8.9292 -8.9164 -8.9070 -8.8733 -8.8655 -8.5665 -8.5498 -8.4977 -8.4917 -8.4597 -8.4554 -8.3877 -8.3868 -8.3357 -8.3351 -8.2611 -8.2601 -7.0958 -7.0866 -7.0363 -7.0281 -0.5006 -0.4998 1.4054 1.4079 2.6365 2.7090 2.7897 2.8616 4.1595 4.1627 4.5152 4.5202 5.5107 5.5134 8.5751 8.5790 8.7377 8.7464 10.6785 10.7298 10.8138 10.8169 k = 0.5820 0.1356-0.5505 ( 3235 PWs) bands (ev): -8.9978 -8.9740 -8.9460 -8.9273 -8.9155 -8.9052 -8.8734 -8.8654 -8.5645 -8.5471 -8.4967 -8.4907 -8.4599 -8.4552 -8.3879 -8.3871 -8.3358 -8.3349 -8.2627 -8.2617 -7.1390 -7.1289 -7.0793 -7.0703 -0.4823 -0.4816 1.4773 1.4800 2.6830 2.7589 2.8309 2.9059 4.2018 4.2049 4.5536 4.5583 5.5802 5.5831 8.6207 8.6234 8.7671 8.7750 10.7116 10.7595 10.8074 10.8122 k = 0.5786 0.1348-0.5246 ( 3229 PWs) bands (ev): -8.9961 -8.9729 -8.9428 -8.9257 -8.9145 -8.9032 -8.8735 -8.8653 -8.5623 -8.5442 -8.4956 -8.4896 -8.4600 -8.4550 -8.3882 -8.3875 -8.3359 -8.3348 -8.2644 -8.2633 -7.1815 -7.1706 -7.1216 -7.1118 -0.4677 -0.4670 1.5384 1.5412 2.7369 2.8076 2.8952 2.9650 4.2450 4.2481 4.5925 4.5971 5.6470 5.6500 8.6653 8.6666 8.7939 8.8006 10.7344 10.7746 10.7986 10.8070 k = 0.5751 0.1340-0.4988 ( 3231 PWs) bands (ev): -8.9944 -8.9718 -8.9397 -8.9242 -8.9133 -8.9010 -8.8735 -8.8653 -8.5599 -8.5412 -8.4945 -8.4886 -8.4602 -8.4548 -8.3885 -8.3878 -8.3360 -8.3347 -8.2661 -8.2650 -7.2233 -7.2116 -7.1632 -7.1526 -0.4565 -0.4559 1.5876 1.5904 2.8006 2.8645 2.9736 3.0366 4.2888 4.2918 4.6317 4.6362 5.7108 5.7140 8.7055 8.7064 8.8197 8.8247 10.7439 10.7730 10.7872 10.7998 k = 0.5717 0.1332-0.4730 ( 3231 PWs) bands (ev): -8.9926 -8.9709 -8.9365 -8.9228 -8.9120 -8.8988 -8.8736 -8.8652 -8.5572 -8.5380 -8.4932 -8.4874 -8.4603 -8.4546 -8.3887 -8.3882 -8.3362 -8.3345 -8.2679 -8.2667 -7.2641 -7.2517 -7.2038 -7.1925 -0.4485 -0.4479 1.6249 1.6274 2.8761 2.9342 3.0610 3.1186 4.3331 4.3361 4.6712 4.6757 5.7716 5.7748 8.7342 8.7379 8.8494 8.8518 10.7375 10.7594 10.7728 10.7829 k = 0.5683 0.1324-0.4471 ( 3235 PWs) bands (ev): -8.9909 -8.9700 -8.9335 -8.9215 -8.9106 -8.8965 -8.8736 -8.8652 -8.5544 -8.5346 -8.4918 -8.4863 -8.4605 -8.4543 -8.3890 -8.3885 -8.3364 -8.3344 -8.2697 -8.2685 -7.3040 -7.2908 -7.2433 -7.2314 -0.4434 -0.4428 1.6509 1.6531 2.9634 3.0173 3.1555 3.2092 4.3778 4.3808 4.7108 4.7152 5.8291 5.8324 8.7464 8.7528 8.8876 8.8877 10.7133 10.7316 10.7547 10.7581 k = 0.5649 0.1316-0.4213 ( 3241 PWs) bands (ev): -8.9892 -8.9692 -8.9306 -8.9203 -8.9090 -8.8942 -8.8736 -8.8652 -8.5513 -8.5310 -8.4903 -8.4851 -8.4606 -8.4539 -8.3893 -8.3889 -8.3366 -8.3343 -8.2715 -8.2703 -7.3427 -7.3288 -7.2817 -7.2692 -0.4408 -0.4403 1.6670 1.6690 3.0617 3.1128 3.2557 3.3069 4.4227 4.4257 4.7504 4.7547 5.8831 5.8865 8.7414 8.7492 8.9329 8.9338 10.6702 10.6818 10.7340 10.7349 k = 0.5615 0.1308-0.3954 ( 3233 PWs) bands (ev): -8.9874 -8.9684 -8.9278 -8.9191 -8.9073 -8.8919 -8.8735 -8.8652 -8.5480 -8.5272 -8.4887 -8.4839 -8.4606 -8.4535 -8.3895 -8.3892 -8.3368 -8.3342 -8.2734 -8.2722 -7.3801 -7.3656 -7.3188 -7.3057 -0.4405 -0.4400 1.6751 1.6767 3.1696 3.2188 3.3609 3.4107 4.4676 4.4707 4.7897 4.7941 5.9338 5.9372 8.7212 8.7296 8.9834 8.9847 10.6096 10.6149 10.7112 10.7116 k = 0.5581 0.1300-0.3696 ( 3232 PWs) bands (ev): -8.9858 -8.9677 -8.9252 -8.9180 -8.9054 -8.8897 -8.8734 -8.8652 -8.5444 -8.5233 -8.4870 -8.4827 -8.4606 -8.4530 -8.3898 -8.3895 -8.3371 -8.3341 -8.2753 -8.2741 -7.4163 -7.4012 -7.3546 -7.3410 -0.4421 -0.4417 1.6768 1.6781 3.2851 3.3336 3.4701 3.5194 4.5124 4.5155 4.8287 4.8331 5.9809 5.9845 8.6873 8.6960 9.0358 9.0372 10.5355 10.5364 10.6863 10.6866 k = 0.5546 0.1292-0.3438 ( 3229 PWs) bands (ev): -8.9841 -8.9671 -8.9228 -8.9169 -8.9034 -8.8876 -8.8733 -8.8652 -8.5405 -8.5192 -8.4852 -8.4816 -8.4606 -8.4524 -8.3900 -8.3898 -8.3374 -8.3341 -8.2772 -8.2760 -7.4509 -7.4354 -7.3889 -7.3749 -0.4452 -0.4448 1.6736 1.6747 3.4067 3.4551 3.5826 3.6322 4.5568 4.5600 4.8671 4.8715 6.0246 6.0282 8.6408 8.6496 9.0874 9.0888 10.4504 10.4524 10.6596 10.6598 k = 0.5512 0.1284-0.3179 ( 3229 PWs) bands (ev): -8.9825 -8.9666 -8.9206 -8.9158 -8.9012 -8.8856 -8.8731 -8.8653 -8.5365 -8.5150 -8.4833 -8.4805 -8.4606 -8.4518 -8.3903 -8.3901 -8.3378 -8.3341 -8.2791 -8.2779 -7.4841 -7.4682 -7.4216 -7.4074 -0.4497 -0.4493 1.6671 1.6679 3.5327 3.5818 3.6977 3.7483 4.6008 4.6041 4.9048 4.9093 6.0649 6.0686 8.5824 8.5912 9.1356 9.1370 10.3614 10.3650 10.6312 10.6314 k = 0.5478 0.1276-0.2921 ( 3229 PWs) bands (ev): -8.9809 -8.9662 -8.9186 -8.9148 -8.8990 -8.8838 -8.8728 -8.8654 -8.5321 -8.5107 -8.4814 -8.4794 -8.4604 -8.4511 -8.3906 -8.3904 -8.3382 -8.3342 -8.2810 -8.2799 -7.5156 -7.4995 -7.4527 -7.4382 -0.4550 -0.4547 1.6581 1.6588 3.6615 3.7119 3.8145 3.8668 4.6441 4.6475 4.9417 4.9463 6.1019 6.1056 8.5131 8.5219 9.1768 9.1785 10.2745 10.2789 10.6016 10.6018 k = 0.5444 0.1268-0.2662 ( 3225 PWs) bands (ev): -8.9794 -8.9657 -8.9167 -8.9138 -8.8967 -8.8822 -8.8723 -8.8654 -8.5275 -8.5064 -8.4794 -8.4784 -8.4602 -8.4503 -8.3908 -8.3907 -8.3388 -8.3344 -8.2829 -8.2819 -7.5453 -7.5292 -7.4820 -7.4675 -0.4611 -0.4608 1.6476 1.6481 3.7916 3.8439 3.9325 3.9869 4.6866 4.6901 4.9777 4.9824 6.1356 6.1394 8.4341 8.4427 9.2069 9.2089 10.1955 10.2000 10.5713 10.5715 k = 0.5410 0.1260-0.2404 ( 3221 PWs) bands (ev): -8.9780 -8.9654 -8.9150 -8.9128 -8.8944 -8.8809 -8.8718 -8.8656 -8.5227 -8.5020 -8.4775 -8.4773 -8.4599 -8.4495 -8.3911 -8.3909 -8.3394 -8.3347 -8.2847 -8.2838 -7.5732 -7.5572 -7.5095 -7.4951 -0.4677 -0.4674 1.6362 1.6366 3.9215 3.9759 4.0511 4.1077 4.7282 4.7318 5.0125 5.0174 6.1662 6.1701 8.3466 8.3550 9.2206 9.2231 10.1309 10.1351 10.5407 10.5409 k = 0.5376 0.1252-0.2146 ( 3217 PWs) bands (ev): -8.9766 -8.9652 -8.9134 -8.9118 -8.8921 -8.8797 -8.8713 -8.8657 -8.5178 -8.4978 -8.4767 -8.4752 -8.4596 -8.4487 -8.3914 -8.3911 -8.3401 -8.3351 -8.2865 -8.2857 -7.5992 -7.5835 -7.5350 -7.5209 -0.4745 -0.4742 1.6245 1.6248 4.0496 4.1055 4.1703 4.2285 4.7687 4.7725 5.0462 5.0513 6.1939 6.1978 8.2521 8.2603 9.2132 9.2162 10.0865 10.0901 10.5104 10.5106 k = 0.5342 0.1244-0.1887 ( 3221 PWs) bands (ev): -8.9753 -8.9650 -8.9121 -8.9109 -8.8899 -8.8788 -8.8707 -8.8659 -8.5127 -8.4937 -8.4760 -8.4731 -8.4590 -8.4478 -8.3917 -8.3914 -8.3409 -8.3357 -8.2883 -8.2876 -7.6232 -7.6080 -7.5586 -7.5449 -0.4813 -0.4811 1.6128 1.6131 4.1741 4.2295 4.2903 4.3482 4.8083 4.8122 5.0789 5.0841 6.2187 6.2227 8.1522 8.1601 9.1828 9.1863 10.0653 10.0682 10.4811 10.4812 k = 0.5307 0.1236-0.1629 ( 3225 PWs) bands (ev): -8.9741 -8.9648 -8.9108 -8.9100 -8.8877 -8.8781 -8.8700 -8.8662 -8.5075 -8.4900 -8.4753 -8.4709 -8.4583 -8.4470 -8.3921 -8.3916 -8.3418 -8.3364 -8.2899 -8.2894 -7.6451 -7.6306 -7.5800 -7.5670 -0.4880 -0.4878 1.6016 1.6018 4.2930 4.3447 4.4112 4.4656 4.8469 4.8510 5.1106 5.1160 6.2409 6.2450 8.0486 8.0562 9.1317 9.1356 10.0654 10.0676 10.4533 10.4535 k = 0.5273 0.1228-0.1370 ( 3224 PWs) bands (ev): -8.9729 -8.9648 -8.9097 -8.9091 -8.8856 -8.8774 -8.8695 -8.8664 -8.5022 -8.4866 -8.4747 -8.4688 -8.4572 -8.4461 -8.3924 -8.3918 -8.3428 -8.3374 -8.2914 -8.2910 -7.6648 -7.6512 -7.5993 -7.5871 -0.4943 -0.4942 1.5910 1.5912 4.4042 4.4495 4.5310 4.5790 4.8848 4.8890 5.1417 5.1472 6.2606 6.2647 7.9433 7.9505 9.0660 9.0700 10.0815 10.0832 10.4278 10.4280 k = 0.5239 0.1220-0.1112 ( 3228 PWs) bands (ev): -8.9719 -8.9648 -8.9087 -8.9083 -8.8837 -8.8769 -8.8690 -8.8667 -8.4970 -8.4838 -8.4742 -8.4670 -8.4559 -8.4453 -8.3927 -8.3920 -8.3439 -8.3385 -8.2928 -8.2925 -7.6822 -7.6697 -7.6163 -7.6052 -0.5002 -0.5001 1.5813 1.5814 4.5053 4.5430 4.6458 4.6863 4.9223 4.9265 5.1729 5.1783 6.2779 6.2820 7.8385 7.8452 8.9924 8.9964 10.1072 10.1085 10.4055 10.4057 k = 0.5205 0.1212-0.0854 ( 3228 PWs) bands (ev): -8.9709 -8.9649 -8.9079 -8.9076 -8.8819 -8.8764 -8.8686 -8.8670 -8.4920 -8.4814 -8.4738 -8.4655 -8.4542 -8.4446 -8.3931 -8.3922 -8.3449 -8.3397 -8.2940 -8.2938 -7.6973 -7.6861 -7.6311 -7.6211 -0.5056 -0.5055 1.5726 1.5727 4.5942 4.6243 4.7518 4.7845 4.9597 4.9638 5.2049 5.2100 6.2931 6.2971 7.7366 7.7428 8.9173 8.9210 10.1365 10.1375 10.3873 10.3874 k = 0.5171 0.1204-0.0595 ( 3227 PWs) bands (ev): -8.9700 -8.9650 -8.9071 -8.9070 -8.8802 -8.8759 -8.8683 -8.8673 -8.4872 -8.4795 -8.4734 -8.4644 -8.4522 -8.4440 -8.3933 -8.3924 -8.3459 -8.3411 -8.2951 -8.2949 -7.7100 -7.7004 -7.6435 -7.6349 -0.5103 -0.5102 1.5650 1.5651 4.6689 4.6920 4.8448 4.8700 4.9968 5.0004 5.2390 5.2432 6.3061 6.3100 7.6406 7.6461 8.8456 8.8489 10.1644 10.1652 10.3742 10.3744 k = 0.5137 0.1196-0.0337 ( 3219 PWs) bands (ev): -8.9691 -8.9651 -8.9065 -8.9065 -8.8787 -8.8756 -8.8682 -8.8676 -8.4828 -8.4780 -8.4729 -8.4639 -8.4500 -8.4435 -8.3935 -8.3926 -8.3467 -8.3426 -8.2959 -8.2958 -7.7203 -7.7123 -7.6536 -7.6465 -0.5142 -0.5141 1.5587 1.5588 4.7284 4.7453 4.9214 4.9398 5.0323 5.0352 5.2753 5.2782 6.3172 6.3207 7.5537 7.5585 8.7815 8.7843 10.1872 10.1878 10.3672 10.3673 k = 0.5102 0.1189-0.0078 ( 3213 PWs) bands (ev): -8.9684 -8.9654 -8.9060 -8.9060 -8.8775 -8.8753 -8.8681 -8.8678 -8.4792 -8.4769 -8.4722 -8.4639 -8.4480 -8.4432 -8.3936 -8.3928 -8.3473 -8.3440 -8.2966 -8.2965 -7.7280 -7.7219 -7.6612 -7.6558 -0.5174 -0.5173 1.5537 1.5538 4.7729 4.7845 4.9798 4.9923 5.0638 5.0657 5.3120 5.3135 6.3263 6.3292 7.4799 7.4837 8.7281 8.7303 10.2029 10.2033 10.3661 10.3661 k = 0.5068 0.1181 0.0180 ( 3212 PWs) bands (ev): -8.9677 -8.9657 -8.9057 -8.9057 -8.8764 -8.8751 -8.8681 -8.8680 -8.4768 -8.4761 -8.4709 -8.4644 -8.4462 -8.4432 -8.3937 -8.3930 -8.3476 -8.3453 -8.2970 -8.2970 -7.7333 -7.7291 -7.6664 -7.6627 -0.5196 -0.5196 1.5502 1.5502 4.8035 4.8106 5.0202 5.0281 5.0885 5.0892 5.3446 5.3451 6.3332 6.3354 7.4232 7.4259 8.6881 8.6896 10.2118 10.2120 10.3687 10.3687 k = 0.5034 0.1173 0.0438 ( 3210 PWs) bands (ev): -8.9671 -8.9661 -8.9055 -8.9055 -8.8757 -8.8750 -8.8682 -8.8682 -8.4757 -8.4756 -8.4689 -8.4654 -8.4449 -8.4434 -8.3936 -8.3932 -8.3476 -8.3464 -8.2973 -8.2973 -7.7360 -7.7339 -7.6691 -7.6672 -0.5210 -0.5210 1.5480 1.5480 4.8216 4.8250 5.0442 5.0481 5.1042 5.1043 5.3672 5.3672 6.3378 6.3390 7.3875 7.3889 8.6635 8.6643 10.2159 10.2160 10.3720 10.3720 k = 0.5000 0.1165 0.0697 ( 3200 PWs) bands (ev): -8.9666 -8.9666 -8.9054 -8.9054 -8.8752 -8.8752 -8.8682 -8.8682 -8.4754 -8.4754 -8.4670 -8.4670 -8.4439 -8.4439 -8.3934 -8.3934 -8.3471 -8.3471 -8.2974 -8.2974 -7.7362 -7.7362 -7.6694 -7.6694 -0.5215 -0.5215 1.5473 1.5473 4.8287 4.8287 5.0533 5.0533 5.1095 5.1095 5.3752 5.3752 6.3398 6.3398 7.3758 7.3758 8.6554 8.6554 10.2170 10.2170 10.3734 10.3734 k = 0.5000-1.0150-0.6072 ( 3226 PWs) bands (ev): -9.0178 -9.0178 -8.9738 -8.9738 -8.9205 -8.9205 -8.8694 -8.8694 -8.5778 -8.5778 -8.5033 -8.5033 -8.4561 -8.4561 -8.3818 -8.3818 -8.3348 -8.3348 -8.2403 -8.2403 -6.4176 -6.4176 -6.2139 -6.2139 -1.2557 -1.2557 -0.1885 -0.1885 2.2509 2.2509 3.6024 3.6024 3.8016 3.8016 3.8487 3.8487 4.2987 4.2987 7.5478 7.5478 8.2178 8.2178 10.1134 10.1134 10.2743 10.2743 k = 0.5229-1.0067-0.6023 ( 3227 PWs) bands (ev): -9.0180 -9.0176 -8.9740 -8.9735 -8.9206 -8.9205 -8.8694 -8.8694 -8.5779 -8.5777 -8.5035 -8.5032 -8.4561 -8.4561 -8.3818 -8.3818 -8.3348 -8.3348 -8.2404 -8.2403 -6.4175 -6.4171 -6.2144 -6.2141 -1.2556 -1.2555 -0.1888 -0.1886 2.2511 2.2531 3.5971 3.6080 3.7928 3.8074 3.8473 3.8551 4.2947 4.2970 7.5504 7.5535 8.2122 8.2163 10.0962 10.1139 10.2705 10.2908 k = 0.5459-0.9984-0.5973 ( 3227 PWs) bands (ev): -9.0181 -9.0174 -8.9743 -8.9733 -8.9206 -8.9205 -8.8695 -8.8694 -8.5781 -8.5776 -8.5036 -8.5030 -8.4561 -8.4560 -8.3818 -8.3818 -8.3348 -8.3347 -8.2404 -8.2403 -6.4169 -6.4162 -6.2156 -6.2150 -1.2551 -1.2551 -0.1896 -0.1892 2.2535 2.2575 3.5923 3.6138 3.7838 3.8082 3.8528 3.8638 4.2851 4.2898 7.5611 7.5674 8.1994 8.2079 10.0688 10.0969 10.2801 10.3134 k = 0.5688-0.9901-0.5923 ( 3216 PWs) bands (ev): -9.0182 -9.0171 -8.9745 -8.9730 -8.9206 -8.9205 -8.8695 -8.8693 -8.5782 -8.5775 -8.5037 -8.5028 -8.4561 -8.4560 -8.3818 -8.3817 -8.3348 -8.3347 -8.2404 -8.2403 -6.4157 -6.4147 -6.2175 -6.2166 -1.2544 -1.2544 -0.1909 -0.1904 2.2583 2.2642 3.5876 3.6190 3.7765 3.8058 3.8633 3.8733 4.2706 4.2777 7.5796 7.5893 8.1799 8.1927 10.0362 10.0688 10.2970 10.3371 k = 0.5917-0.9818-0.5873 ( 3219 PWs) bands (ev): -9.0184 -9.0168 -8.9748 -8.9728 -8.9206 -8.9205 -8.8695 -8.8693 -8.5785 -8.5775 -8.5038 -8.5027 -8.4561 -8.4560 -8.3818 -8.3817 -8.3348 -8.3348 -8.2404 -8.2403 -6.4140 -6.4127 -6.2201 -6.2189 -1.2534 -1.2534 -0.1927 -0.1920 2.2654 2.2732 3.5827 3.6226 3.7720 3.8027 3.8759 3.8826 4.2524 4.2618 7.6049 7.6184 8.1541 8.1714 10.0013 10.0353 10.3153 10.3588 k = 0.6147-0.9734-0.5824 ( 3215 PWs) bands (ev): -9.0184 -9.0165 -8.9750 -8.9725 -8.9207 -8.9205 -8.8695 -8.8692 -8.5787 -8.5775 -8.5039 -8.5025 -8.4561 -8.4560 -8.3818 -8.3817 -8.3348 -8.3348 -8.2404 -8.2402 -6.4118 -6.4101 -6.2233 -6.2218 -1.2521 -1.2521 -0.1950 -0.1941 2.2748 2.2843 3.5770 3.6236 3.7708 3.7996 3.8893 3.8909 4.2322 4.2436 7.6362 7.6541 8.1225 8.1448 9.9656 9.9998 10.3318 10.3770 k = 0.6376-0.9651-0.5774 ( 3207 PWs) bands (ev): -9.0185 -9.0162 -8.9752 -8.9723 -8.9207 -8.9205 -8.8695 -8.8692 -8.5789 -8.5776 -8.5039 -8.5023 -8.4560 -8.4560 -8.3818 -8.3817 -8.3349 -8.3348 -8.2404 -8.2402 -6.4092 -6.4072 -6.2272 -6.2254 -1.2505 -1.2504 -0.1976 -0.1966 2.2864 2.2975 3.5702 3.6212 3.7726 3.7963 3.8978 3.9027 4.2121 4.2250 7.6720 7.6952 8.0859 8.1141 9.9304 9.9643 10.3446 10.3905 k = 0.6605-0.9568-0.5724 ( 3209 PWs) bands (ev): -9.0185 -9.0160 -8.9754 -8.9721 -8.9207 -8.9205 -8.8696 -8.8692 -8.5791 -8.5777 -8.5039 -8.5022 -8.4561 -8.4559 -8.3818 -8.3817 -8.3349 -8.3348 -8.2404 -8.2402 -6.4060 -6.4038 -6.2316 -6.2296 -1.2486 -1.2485 -0.2006 -0.1995 2.3002 2.3127 3.5620 3.6154 3.7753 3.7917 3.9032 3.9160 4.1946 4.2083 7.7102 7.7406 8.0454 8.0811 9.8965 9.9301 10.3524 10.3983 k = 0.6835-0.9485-0.5674 ( 3203 PWs) bands (ev): -9.0185 -9.0157 -8.9755 -8.9719 -8.9208 -8.9206 -8.8696 -8.8691 -8.5794 -8.5778 -8.5039 -8.5020 -8.4560 -8.4559 -8.3817 -8.3817 -8.3349 -8.3348 -8.2404 -8.2402 -6.4025 -6.3999 -6.2367 -6.2343 -1.2464 -1.2463 -0.2040 -0.2028 2.3159 2.3297 3.5522 3.6067 3.7757 3.7843 3.9081 3.9290 4.1822 4.1957 7.7476 7.7882 8.0028 8.0487 9.8648 9.8980 10.3544 10.3999 k = 0.7064-0.9402-0.5624 ( 3205 PWs) bands (ev): -9.0185 -9.0154 -8.9756 -8.9717 -8.9208 -8.9206 -8.8696 -8.8691 -8.5796 -8.5779 -8.5039 -8.5019 -8.4560 -8.4559 -8.3817 -8.3817 -8.3350 -8.3349 -8.2404 -8.2402 -6.3985 -6.3957 -6.2422 -6.2396 -1.2438 -1.2438 -0.2077 -0.2064 2.3333 2.3482 3.5406 3.5954 3.7700 3.7728 3.9148 3.9420 4.1766 4.1890 7.7783 7.8333 7.9626 8.0227 9.8360 9.8689 10.3500 10.3948 k = 0.7293-0.9318-0.5575 ( 3204 PWs) bands (ev): -9.0184 -9.0152 -8.9757 -8.9716 -8.9208 -8.9207 -8.8696 -8.8691 -8.5798 -8.5781 -8.5039 -8.5018 -8.4561 -8.4559 -8.3818 -8.3817 -8.3350 -8.3349 -8.2404 -8.2402 -6.3942 -6.3912 -6.2481 -6.2454 -1.2410 -1.2410 -0.2116 -0.2103 2.3522 2.3678 3.5271 3.5817 3.7565 3.7571 3.9248 3.9550 4.1784 4.1891 7.7929 7.8548 7.9456 8.0122 9.8107 9.8435 10.3389 10.3829 k = 0.7523-0.9235-0.5525 ( 3198 PWs) bands (ev): -9.0184 -9.0149 -8.9758 -8.9715 -8.9208 -8.9207 -8.8697 -8.8691 -8.5800 -8.5782 -8.5038 -8.5017 -8.4560 -8.4559 -8.3818 -8.3817 -8.3350 -8.3350 -8.2404 -8.2402 -6.3895 -6.3865 -6.2545 -6.2516 -1.2379 -1.2379 -0.2157 -0.2143 2.3721 2.3882 3.5116 3.5655 3.7366 3.7379 3.9380 3.9680 4.1869 4.1959 7.7840 7.8275 7.9765 8.0242 9.7894 9.8224 10.3212 10.3641 k = 0.7752-0.9152-0.5475 ( 3202 PWs) bands (ev): -9.0183 -9.0147 -8.9758 -8.9714 -8.9208 -8.9208 -8.8697 -8.8690 -8.5802 -8.5784 -8.5037 -8.5017 -8.4561 -8.4559 -8.3818 -8.3817 -8.3350 -8.3350 -8.2404 -8.2403 -6.3847 -6.3815 -6.2611 -6.2581 -1.2345 -1.2345 -0.2198 -0.2185 2.3925 2.4087 3.4943 3.5464 3.7136 3.7169 3.9531 3.9807 4.2009 4.2085 7.7564 7.7826 8.0242 8.0540 9.7729 9.8061 10.2971 10.3390 k = 0.7981-0.9069-0.5425 ( 3204 PWs) bands (ev): -9.0182 -9.0145 -8.9758 -8.9713 -8.9209 -8.9208 -8.8697 -8.8690 -8.5804 -8.5785 -8.5036 -8.5016 -8.4561 -8.4559 -8.3818 -8.3817 -8.3351 -8.3351 -8.2405 -8.2403 -6.3797 -6.3765 -6.2680 -6.2649 -1.2308 -1.2308 -0.2240 -0.2227 2.4127 2.4286 3.4754 3.5244 3.6910 3.6960 3.9686 3.9929 4.2193 4.2257 7.7192 7.7349 8.0735 8.0921 9.7615 9.7951 10.2672 10.3081 k = 0.8211-0.8986-0.5376 ( 3205 PWs) bands (ev): -9.0181 -9.0143 -8.9758 -8.9713 -8.9209 -8.9208 -8.8697 -8.8690 -8.5805 -8.5787 -8.5035 -8.5016 -8.4561 -8.4559 -8.3818 -8.3817 -8.3351 -8.3351 -8.2405 -8.2403 -6.3747 -6.3715 -6.2749 -6.2719 -1.2270 -1.2270 -0.2280 -0.2268 2.4318 2.4469 3.4558 3.4999 3.6713 3.6769 3.9835 4.0041 4.2408 4.2460 7.6787 7.6879 8.1206 8.1319 9.7557 9.7896 10.2324 10.2723 Writing output data file GaSe.save init_run : 2.05s CPU 12.04s WALL ( 1 calls) electrons : 594.08s CPU 600.21s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.61s WALL ( 1 calls) Called by electrons: c_bands : 594.00s CPU 599.87s WALL ( 1 calls) v_of_rho : 0.14s CPU 1.05s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.66s WALL ( 1 calls) newd : 0.27s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 315 calls) cegterg : 552.72s CPU 555.87s WALL ( 559 calls) Called by sum_band: Called by *egterg: h_psi : 400.71s CPU 407.13s WALL ( 9409 calls) s_psi : 11.36s CPU 11.90s WALL ( 9409 calls) g_psi : 0.30s CPU 0.40s WALL ( 8535 calls) cdiaghg : 116.88s CPU 115.30s WALL ( 8850 calls) cegterg:over : 29.50s CPU 27.25s WALL ( 8535 calls) cegterg:upda : 3.74s CPU 5.75s WALL ( 8535 calls) cegterg:last : 3.92s CPU 4.50s WALL ( 1504 calls) Called by h_psi: h_psi:vloc : 375.62s CPU 381.10s WALL ( 9409 calls) h_psi:vnl : 24.97s CPU 25.45s WALL ( 9409 calls) add_vuspsi : 6.53s CPU 9.04s WALL ( 9409 calls) General routines calbec : 18.41s CPU 16.33s WALL ( 9409 calls) fft : 0.55s CPU 1.29s WALL ( 19 calls) ffts : 0.04s CPU 0.04s WALL ( 4 calls) fftw : 342.92s CPU 345.32s WALL ( 818912 calls) interpolate : 0.07s CPU 0.07s WALL ( 4 calls) davcio : 0.02s CPU 0.93s WALL ( 630 calls) Parallel routines fft_scatter : 157.71s CPU 158.03s WALL ( 818935 calls) PWSCF : 10m39.39s CPU 11m44.19s WALL This run was terminated on: 22:37:59 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=