Program PWSCF v.5.1.1 starts on 22May2015 at 2:49:44 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: ./TeI.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 36 34 10 1391 1294 198 Max 37 35 11 1395 1306 203 Sum 1745 1667 481 66825 62379 9647 bravais-lattice index = 14 lattice parameter (alat) = 18.2865 a.u. unit-cell volume = 2049.9106 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 37.0000 Ry charge density cutoff = 155.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.286450 celldm(2)= 1.000000 celldm(3)= 1.239979 celldm(4)= 0.749643 celldm(5)= 0.749643 celldm(6)= 0.906615 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.906615 0.421959 0.000000 ) a(3) = ( 0.929542 0.205720 0.794469 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.148587 -0.613662 ) b(2) = ( 0.000000 2.369900 -0.613662 ) b(3) = ( 0.000000 0.000000 1.258703 ) PseudoPot. # 1 for Te read from file: /home/autes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Te 6.00 127.60000 Te( 1.00) I 7.00 126.90450 I( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 307 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0192308 0.0042560 -0.0236024), wk = 0.0032573 k( 3) = ( 0.0384615 0.0085120 -0.0472048), wk = 0.0032573 k( 4) = ( 0.0576923 0.0127681 -0.0708071), wk = 0.0032573 k( 5) = ( 0.0769231 0.0170241 -0.0944095), wk = 0.0032573 k( 6) = ( 0.0961538 0.0212801 -0.1180119), wk = 0.0032573 k( 7) = ( 0.1153846 0.0255361 -0.1416143), wk = 0.0032573 k( 8) = ( 0.1346154 0.0297921 -0.1652167), wk = 0.0032573 k( 9) = ( 0.1538461 0.0340482 -0.1888191), wk = 0.0032573 k( 10) = ( 0.1730769 0.0383042 -0.2124214), wk = 0.0032573 k( 11) = ( 0.1923077 0.0425602 -0.2360238), wk = 0.0032573 k( 12) = ( 0.2115385 0.0468162 -0.2596262), wk = 0.0032573 k( 13) = ( 0.2307692 0.0510722 -0.2832286), wk = 0.0032573 k( 14) = ( 0.2500000 0.0553283 -0.3068310), wk = 0.0032573 k( 15) = ( 0.2692308 0.0595843 -0.3304334), wk = 0.0032573 k( 16) = ( 0.2884615 0.0638403 -0.3540357), wk = 0.0032573 k( 17) = ( 0.3076923 0.0680963 -0.3776381), wk = 0.0032573 k( 18) = ( 0.3269231 0.0723523 -0.4012405), wk = 0.0032573 k( 19) = ( 0.3461538 0.0766084 -0.4248429), wk = 0.0032573 k( 20) = ( 0.3653846 0.0808644 -0.4484453), wk = 0.0032573 k( 21) = ( 0.3846154 0.0851204 -0.4720476), wk = 0.0032573 k( 22) = ( 0.4038462 0.0893764 -0.4956500), wk = 0.0032573 k( 23) = ( 0.4230769 0.0936324 -0.5192524), wk = 0.0032573 k( 24) = ( 0.4423077 0.0978884 -0.5428548), wk = 0.0032573 k( 25) = ( 0.4615385 0.1021445 -0.5664572), wk = 0.0032573 k( 26) = ( 0.4807692 0.1064005 -0.5900596), wk = 0.0032573 k( 27) = ( 0.5000000 0.1106565 -0.6136619), wk = 0.0032573 k( 28) = ( 0.5000000 0.1106565 -0.6136619), wk = 0.0032573 k( 29) = ( 0.5183570 0.1147192 -0.5979724), wk = 0.0032573 k( 30) = ( 0.5183570 0.1147192 -0.5979724), wk = 0.0032573 k( 31) = ( 0.5174392 0.1145160 -0.5672893), wk = 0.0032573 k( 32) = ( 0.5165213 0.1143129 -0.5366062), wk = 0.0032573 k( 33) = ( 0.5156035 0.1141098 -0.5059231), wk = 0.0032573 k( 34) = ( 0.5146856 0.1139066 -0.4752400), wk = 0.0032573 k( 35) = ( 0.5137678 0.1137035 -0.4445569), wk = 0.0032573 k( 36) = ( 0.5128499 0.1135004 -0.4138738), wk = 0.0032573 k( 37) = ( 0.5119321 0.1132972 -0.3831907), wk = 0.0032573 k( 38) = ( 0.5110142 0.1130941 -0.3525076), wk = 0.0032573 k( 39) = ( 0.5100964 0.1128910 -0.3218245), wk = 0.0032573 k( 40) = ( 0.5091785 0.1126878 -0.2911414), wk = 0.0032573 k( 41) = ( 0.5082607 0.1124847 -0.2604583), wk = 0.0032573 k( 42) = ( 0.5073428 0.1122816 -0.2297752), wk = 0.0032573 k( 43) = ( 0.5064250 0.1120784 -0.1990921), wk = 0.0032573 k( 44) = ( 0.5055071 0.1118753 -0.1684090), wk = 0.0032573 k( 45) = ( 0.5045893 0.1116722 -0.1377259), wk = 0.0032573 k( 46) = ( 0.5036714 0.1114690 -0.1070428), wk = 0.0032573 k( 47) = ( 0.5027536 0.1112659 -0.0763597), wk = 0.0032573 k( 48) = ( 0.5018357 0.1110628 -0.0456766), wk = 0.0032573 k( 49) = ( 0.5009178 0.1108596 -0.0149935), wk = 0.0032573 k( 50) = ( 0.5000000 0.1106565 0.0156896), wk = 0.0032573 k( 51) = ( 0.5000000 0.1106565 0.0156896), wk = 0.0032573 k( 52) = ( 0.5065702 0.0809691 0.0156896), wk = 0.0032573 k( 53) = ( 0.5131404 0.0512818 0.0156896), wk = 0.0032573 k( 54) = ( 0.5197106 0.0215944 0.0156896), wk = 0.0032573 k( 55) = ( 0.5262808 -0.0080930 0.0156896), wk = 0.0032573 k( 56) = ( 0.5328510 -0.0377803 0.0156896), wk = 0.0032573 k( 57) = ( 0.5394212 -0.0674676 0.0156896), wk = 0.0032573 k( 58) = ( 0.5459914 -0.0971550 0.0156896), wk = 0.0032573 k( 59) = ( 0.5525616 -0.1268424 0.0156896), wk = 0.0032573 k( 60) = ( 0.5591318 -0.1565297 0.0156896), wk = 0.0032573 k( 61) = ( 0.5657020 -0.1862171 0.0156896), wk = 0.0032573 k( 62) = ( 0.5722722 -0.2159045 0.0156896), wk = 0.0032573 k( 63) = ( 0.5788424 -0.2455918 0.0156896), wk = 0.0032573 k( 64) = ( 0.5854126 -0.2752791 0.0156896), wk = 0.0032573 k( 65) = ( 0.5919828 -0.3049665 0.0156896), wk = 0.0032573 k( 66) = ( 0.5985530 -0.3346539 0.0156896), wk = 0.0032573 k( 67) = ( 0.6051232 -0.3643412 0.0156896), wk = 0.0032573 k( 68) = ( 0.6116934 -0.3940286 0.0156896), wk = 0.0032573 k( 69) = ( 0.6182636 -0.4237160 0.0156896), wk = 0.0032573 k( 70) = ( 0.6248338 -0.4534033 0.0156896), wk = 0.0032573 k( 71) = ( 0.6314040 -0.4830907 0.0156896), wk = 0.0032573 k( 72) = ( 0.6379742 -0.5127781 0.0156896), wk = 0.0032573 k( 73) = ( 0.6445444 -0.5424654 0.0156896), wk = 0.0032573 k( 74) = ( 0.6511146 -0.5721527 0.0156896), wk = 0.0032573 k( 75) = ( 0.6576848 -0.6018401 0.0156896), wk = 0.0032573 k( 76) = ( 0.6642550 -0.6315275 0.0156896), wk = 0.0032573 k( 77) = ( 0.6708252 -0.6612148 0.0156896), wk = 0.0032573 k( 78) = ( 0.6773954 -0.6909022 0.0156896), wk = 0.0032573 k( 79) = ( 0.6839656 -0.7205896 0.0156896), wk = 0.0032573 k( 80) = ( 0.6905358 -0.7502769 0.0156896), wk = 0.0032573 k( 81) = ( 0.6971060 -0.7799643 0.0156896), wk = 0.0032573 k( 82) = ( 0.7036762 -0.8096516 0.0156896), wk = 0.0032573 k( 83) = ( 0.7102464 -0.8393390 0.0156896), wk = 0.0032573 k( 84) = ( 0.7168166 -0.8690263 0.0156896), wk = 0.0032573 k( 85) = ( 0.7233868 -0.8987137 0.0156896), wk = 0.0032573 k( 86) = ( 0.7299570 -0.9284011 0.0156896), wk = 0.0032573 k( 87) = ( 0.7365272 -0.9580884 0.0156896), wk = 0.0032573 k( 88) = ( 0.7430974 -0.9877758 0.0156896), wk = 0.0032573 k( 89) = ( 0.7496676 -1.0174632 0.0156896), wk = 0.0032573 k( 90) = ( 0.7562378 -1.0471505 0.0156896), wk = 0.0032573 k( 91) = ( 0.2437623 -1.1014366 0.6293515), wk = 0.0032573 k( 92) = ( 0.2371741 -1.0716680 0.6293515), wk = 0.0032573 k( 93) = ( 0.2305859 -1.0418995 0.6293515), wk = 0.0032573 k( 94) = ( 0.2239977 -1.0121309 0.6293515), wk = 0.0032573 k( 95) = ( 0.2174096 -0.9823623 0.6293515), wk = 0.0032573 k( 96) = ( 0.2108214 -0.9525938 0.6293515), wk = 0.0032573 k( 97) = ( 0.2042332 -0.9228252 0.6293515), wk = 0.0032573 k( 98) = ( 0.1976451 -0.8930567 0.6293515), wk = 0.0032573 k( 99) = ( 0.1910569 -0.8632881 0.6293515), wk = 0.0032573 k( 100) = ( 0.1844687 -0.8335196 0.6293515), wk = 0.0032573 k( 101) = ( 0.1778806 -0.8037510 0.6293515), wk = 0.0032573 k( 102) = ( 0.1712924 -0.7739825 0.6293515), wk = 0.0032573 k( 103) = ( 0.1647042 -0.7442139 0.6293515), wk = 0.0032573 k( 104) = ( 0.1581161 -0.7144453 0.6293515), wk = 0.0032573 k( 105) = ( 0.1515279 -0.6846768 0.6293515), wk = 0.0032573 k( 106) = ( 0.1449397 -0.6549082 0.6293515), wk = 0.0032573 k( 107) = ( 0.1383515 -0.6251397 0.6293515), wk = 0.0032573 k( 108) = ( 0.1317634 -0.5953711 0.6293515), wk = 0.0032573 k( 109) = ( 0.1251752 -0.5656026 0.6293515), wk = 0.0032573 k( 110) = ( 0.1185870 -0.5358340 0.6293515), wk = 0.0032573 k( 111) = ( 0.1119989 -0.5060655 0.6293515), wk = 0.0032573 k( 112) = ( 0.1054107 -0.4762969 0.6293515), wk = 0.0032573 k( 113) = ( 0.0988225 -0.4465283 0.6293515), wk = 0.0032573 k( 114) = ( 0.0922344 -0.4167598 0.6293515), wk = 0.0032573 k( 115) = ( 0.0856462 -0.3869912 0.6293515), wk = 0.0032573 k( 116) = ( 0.0790580 -0.3572227 0.6293515), wk = 0.0032573 k( 117) = ( 0.0724699 -0.3274541 0.6293515), wk = 0.0032573 k( 118) = ( 0.0658817 -0.2976856 0.6293515), wk = 0.0032573 k( 119) = ( 0.0592935 -0.2679170 0.6293515), wk = 0.0032573 k( 120) = ( 0.0527053 -0.2381484 0.6293515), wk = 0.0032573 k( 121) = ( 0.0461172 -0.2083799 0.6293515), wk = 0.0032573 k( 122) = ( 0.0395290 -0.1786113 0.6293515), wk = 0.0032573 k( 123) = ( 0.0329408 -0.1488428 0.6293515), wk = 0.0032573 k( 124) = ( 0.0263527 -0.1190742 0.6293515), wk = 0.0032573 k( 125) = ( 0.0197645 -0.0893057 0.6293515), wk = 0.0032573 k( 126) = ( 0.0131763 -0.0595371 0.6293515), wk = 0.0032573 k( 127) = ( 0.0065882 -0.0297686 0.6293515), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.6293515), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.6293515), wk = 0.0032573 k( 130) = ( 0.0283319 0.0062702 0.6293515), wk = 0.0032573 k( 131) = ( 0.0566639 0.0125405 0.6293515), wk = 0.0032573 k( 132) = ( 0.0849958 0.0188107 0.6293515), wk = 0.0032573 k( 133) = ( 0.1133278 0.0250809 0.6293515), wk = 0.0032573 k( 134) = ( 0.1416597 0.0313511 0.6293515), wk = 0.0032573 k( 135) = ( 0.1699916 0.0376214 0.6293515), wk = 0.0032573 k( 136) = ( 0.1983236 0.0438916 0.6293515), wk = 0.0032573 k( 137) = ( 0.2266555 0.0501618 0.6293515), wk = 0.0032573 k( 138) = ( 0.2549875 0.0564320 0.6293515), wk = 0.0032573 k( 139) = ( 0.2833194 0.0627023 0.6293515), wk = 0.0032573 k( 140) = ( 0.3116513 0.0689725 0.6293515), wk = 0.0032573 k( 141) = ( 0.3399833 0.0752427 0.6293515), wk = 0.0032573 k( 142) = ( 0.3683152 0.0815129 0.6293515), wk = 0.0032573 k( 143) = ( 0.3966471 0.0877832 0.6293515), wk = 0.0032573 k( 144) = ( 0.4249791 0.0940534 0.6293515), wk = 0.0032573 k( 145) = ( 0.4533110 0.1003236 0.6293515), wk = 0.0032573 k( 146) = ( 0.4816430 0.1065939 0.6293515), wk = 0.0032573 k( 147) = ( 0.5000000 0.1106565 -0.6136619), wk = 0.0032573 k( 148) = ( 0.5064756 0.0813964 -0.6136619), wk = 0.0032573 k( 149) = ( 0.5129513 0.0521364 -0.6136619), wk = 0.0032573 k( 150) = ( 0.5194269 0.0228763 -0.6136619), wk = 0.0032573 k( 151) = ( 0.5259025 -0.0063838 -0.6136619), wk = 0.0032573 k( 152) = ( 0.5323782 -0.0356439 -0.6136619), wk = 0.0032573 k( 153) = ( 0.5388538 -0.0649040 -0.6136619), wk = 0.0032573 k( 154) = ( 0.5453295 -0.0941641 -0.6136619), wk = 0.0032573 k( 155) = ( 0.5518051 -0.1234241 -0.6136619), wk = 0.0032573 k( 156) = ( 0.5582807 -0.1526842 -0.6136619), wk = 0.0032573 k( 157) = ( 0.5647564 -0.1819443 -0.6136619), wk = 0.0032573 k( 158) = ( 0.5712320 -0.2112044 -0.6136619), wk = 0.0032573 k( 159) = ( 0.5777076 -0.2404645 -0.6136619), wk = 0.0032573 k( 160) = ( 0.5841833 -0.2697245 -0.6136619), wk = 0.0032573 k( 161) = ( 0.5906589 -0.2989846 -0.6136619), wk = 0.0032573 k( 162) = ( 0.5971346 -0.3282447 -0.6136619), wk = 0.0032573 k( 163) = ( 0.6036102 -0.3575048 -0.6136619), wk = 0.0032573 k( 164) = ( 0.6100858 -0.3867649 -0.6136619), wk = 0.0032573 k( 165) = ( 0.6165615 -0.4160250 -0.6136619), wk = 0.0032573 k( 166) = ( 0.6230371 -0.4452850 -0.6136619), wk = 0.0032573 k( 167) = ( 0.6295127 -0.4745451 -0.6136619), wk = 0.0032573 k( 168) = ( 0.6359884 -0.5038052 -0.6136619), wk = 0.0032573 k( 169) = ( 0.6424640 -0.5330652 -0.6136619), wk = 0.0032573 k( 170) = ( 0.6489396 -0.5623253 -0.6136619), wk = 0.0032573 k( 171) = ( 0.6554153 -0.5915854 -0.6136619), wk = 0.0032573 k( 172) = ( 0.6618909 -0.6208455 -0.6136619), wk = 0.0032573 k( 173) = ( 0.6683666 -0.6501056 -0.6136619), wk = 0.0032573 k( 174) = ( 0.6748422 -0.6793656 -0.6136619), wk = 0.0032573 k( 175) = ( 0.6813178 -0.7086257 -0.6136619), wk = 0.0032573 k( 176) = ( 0.6877935 -0.7378858 -0.6136619), wk = 0.0032573 k( 177) = ( 0.6942691 -0.7671459 -0.6136619), wk = 0.0032573 k( 178) = ( 0.7007447 -0.7964060 -0.6136619), wk = 0.0032573 k( 179) = ( 0.7072204 -0.8256661 -0.6136619), wk = 0.0032573 k( 180) = ( 0.7136960 -0.8549261 -0.6136619), wk = 0.0032573 k( 181) = ( 0.7201716 -0.8841862 -0.6136619), wk = 0.0032573 k( 182) = ( 0.2798284 -1.2644008 -0.0000000), wk = 0.0032573 k( 183) = ( 0.2733207 -1.2349962 -0.0000000), wk = 0.0032573 k( 184) = ( 0.2668131 -1.2055915 -0.0000000), wk = 0.0032573 k( 185) = ( 0.2603054 -1.1761868 -0.0000000), wk = 0.0032573 k( 186) = ( 0.2537978 -1.1467822 -0.0000000), wk = 0.0032573 k( 187) = ( 0.2472902 -1.1173775 -0.0000000), wk = 0.0032573 k( 188) = ( 0.2407825 -1.0879728 -0.0000000), wk = 0.0032573 k( 189) = ( 0.2342749 -1.0585682 -0.0000000), wk = 0.0032573 k( 190) = ( 0.2277673 -1.0291635 -0.0000000), wk = 0.0032573 k( 191) = ( 0.2212596 -0.9997588 -0.0000000), wk = 0.0032573 k( 192) = ( 0.2147520 -0.9703542 -0.0000000), wk = 0.0032573 k( 193) = ( 0.2082444 -0.9409495 -0.0000000), wk = 0.0032573 k( 194) = ( 0.2017367 -0.9115448 -0.0000000), wk = 0.0032573 k( 195) = ( 0.1952291 -0.8821401 -0.0000000), wk = 0.0032573 k( 196) = ( 0.1887215 -0.8527354 -0.0000000), wk = 0.0032573 k( 197) = ( 0.1822138 -0.8233308 -0.0000000), wk = 0.0032573 k( 198) = ( 0.1757062 -0.7939261 -0.0000000), wk = 0.0032573 k( 199) = ( 0.1691985 -0.7645214 -0.0000000), wk = 0.0032573 k( 200) = ( 0.1626909 -0.7351168 -0.0000000), wk = 0.0032573 k( 201) = ( 0.1561833 -0.7057121 -0.0000000), wk = 0.0032573 k( 202) = ( 0.1496756 -0.6763075 -0.0000000), wk = 0.0032573 k( 203) = ( 0.1431680 -0.6469028 -0.0000000), wk = 0.0032573 k( 204) = ( 0.1366604 -0.6174981 -0.0000000), wk = 0.0032573 k( 205) = ( 0.1301527 -0.5880934 -0.0000000), wk = 0.0032573 k( 206) = ( 0.1236451 -0.5586888 -0.0000000), wk = 0.0032573 k( 207) = ( 0.1171375 -0.5292841 -0.0000000), wk = 0.0032573 k( 208) = ( 0.1106298 -0.4998794 -0.0000000), wk = 0.0032573 k( 209) = ( 0.1041222 -0.4704747 -0.0000000), wk = 0.0032573 k( 210) = ( 0.0976145 -0.4410700 -0.0000000), wk = 0.0032573 k( 211) = ( 0.0911069 -0.4116654 -0.0000000), wk = 0.0032573 k( 212) = ( 0.0845993 -0.3822607 -0.0000000), wk = 0.0032573 k( 213) = ( 0.0780916 -0.3528561 -0.0000000), wk = 0.0032573 k( 214) = ( 0.0715840 -0.3234514 -0.0000000), wk = 0.0032573 k( 215) = ( 0.0650764 -0.2940467 -0.0000000), wk = 0.0032573 k( 216) = ( 0.0585687 -0.2646421 -0.0000000), wk = 0.0032573 k( 217) = ( 0.0520611 -0.2352374 -0.0000000), wk = 0.0032573 k( 218) = ( 0.0455535 -0.2058327 -0.0000000), wk = 0.0032573 k( 219) = ( 0.0390458 -0.1764280 -0.0000000), wk = 0.0032573 k( 220) = ( 0.0325382 -0.1470233 -0.0000000), wk = 0.0032573 k( 221) = ( 0.0260305 -0.1176187 -0.0000000), wk = 0.0032573 k( 222) = ( 0.0195229 -0.0882140 -0.0000000), wk = 0.0032573 k( 223) = ( 0.0130153 -0.0588093 -0.0000000), wk = 0.0032573 k( 224) = ( 0.0065076 -0.0294047 -0.0000000), wk = 0.0032573 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 227) = ( 0.0125000 -0.0268573 -0.0076708), wk = 0.0032573 k( 228) = ( 0.0250000 -0.0537147 -0.0153415), wk = 0.0032573 k( 229) = ( 0.0375000 -0.0805720 -0.0230123), wk = 0.0032573 k( 230) = ( 0.0500000 -0.1074294 -0.0306831), wk = 0.0032573 k( 231) = ( 0.0625000 -0.1342867 -0.0383539), wk = 0.0032573 k( 232) = ( 0.0750000 -0.1611440 -0.0460246), wk = 0.0032573 k( 233) = ( 0.0875000 -0.1880014 -0.0536954), wk = 0.0032573 k( 234) = ( 0.1000000 -0.2148587 -0.0613662), wk = 0.0032573 k( 235) = ( 0.1125000 -0.2417160 -0.0690370), wk = 0.0032573 k( 236) = ( 0.1250000 -0.2685734 -0.0767077), wk = 0.0032573 k( 237) = ( 0.1375000 -0.2954307 -0.0843785), wk = 0.0032573 k( 238) = ( 0.1500000 -0.3222881 -0.0920493), wk = 0.0032573 k( 239) = ( 0.1625000 -0.3491454 -0.0997201), wk = 0.0032573 k( 240) = ( 0.1750000 -0.3760027 -0.1073908), wk = 0.0032573 k( 241) = ( 0.1875000 -0.4028601 -0.1150616), wk = 0.0032573 k( 242) = ( 0.2000000 -0.4297174 -0.1227324), wk = 0.0032573 k( 243) = ( 0.2125000 -0.4565748 -0.1304032), wk = 0.0032573 k( 244) = ( 0.2250000 -0.4834321 -0.1380739), wk = 0.0032573 k( 245) = ( 0.2375000 -0.5102894 -0.1457447), wk = 0.0032573 k( 246) = ( 0.2500000 -0.5371468 -0.1534155), wk = 0.0032573 k( 247) = ( 0.2625000 -0.5640041 -0.1610863), wk = 0.0032573 k( 248) = ( 0.2750000 -0.5908614 -0.1687570), wk = 0.0032573 k( 249) = ( 0.2875000 -0.6177188 -0.1764278), wk = 0.0032573 k( 250) = ( 0.3000000 -0.6445761 -0.1840986), wk = 0.0032573 k( 251) = ( 0.3125000 -0.6714335 -0.1917694), wk = 0.0032573 k( 252) = ( 0.3250000 -0.6982908 -0.1994401), wk = 0.0032573 k( 253) = ( 0.3375000 -0.7251481 -0.2071109), wk = 0.0032573 k( 254) = ( 0.3500000 -0.7520055 -0.2147817), wk = 0.0032573 k( 255) = ( 0.3625000 -0.7788628 -0.2224525), wk = 0.0032573 k( 256) = ( 0.3750000 -0.8057202 -0.2301232), wk = 0.0032573 k( 257) = ( 0.3875000 -0.8325775 -0.2377940), wk = 0.0032573 k( 258) = ( 0.4000000 -0.8594348 -0.2454648), wk = 0.0032573 k( 259) = ( 0.4125000 -0.8862922 -0.2531356), wk = 0.0032573 k( 260) = ( 0.4250000 -0.9131495 -0.2608063), wk = 0.0032573 k( 261) = ( 0.4375000 -0.9400068 -0.2684771), wk = 0.0032573 k( 262) = ( 0.4500000 -0.9668642 -0.2761479), wk = 0.0032573 k( 263) = ( 0.4625000 -0.9937215 -0.2838186), wk = 0.0032573 k( 264) = ( 0.4750000 -1.0205789 -0.2914894), wk = 0.0032573 k( 265) = ( 0.4875000 -1.0474362 -0.2991602), wk = 0.0032573 k( 266) = ( 0.5000000 -1.0742935 -0.3068310), wk = 0.0032573 k( 267) = ( 0.5000000 -1.0742935 0.3225205), wk = 0.0032573 k( 268) = ( 0.4875000 -1.0474362 0.3144575), wk = 0.0032573 k( 269) = ( 0.4750000 -1.0205789 0.3063945), wk = 0.0032573 k( 270) = ( 0.4625000 -0.9937215 0.2983315), wk = 0.0032573 k( 271) = ( 0.4500000 -0.9668642 0.2902685), wk = 0.0032573 k( 272) = ( 0.4375000 -0.9400068 0.2822055), wk = 0.0032573 k( 273) = ( 0.4250000 -0.9131495 0.2741424), wk = 0.0032573 k( 274) = ( 0.4125000 -0.8862922 0.2660794), wk = 0.0032573 k( 275) = ( 0.4000000 -0.8594348 0.2580164), wk = 0.0032573 k( 276) = ( 0.3875000 -0.8325775 0.2499534), wk = 0.0032573 k( 277) = ( 0.3750000 -0.8057202 0.2418904), wk = 0.0032573 k( 278) = ( 0.3625000 -0.7788628 0.2338274), wk = 0.0032573 k( 279) = ( 0.3500000 -0.7520055 0.2257644), wk = 0.0032573 k( 280) = ( 0.3375000 -0.7251481 0.2177014), wk = 0.0032573 k( 281) = ( 0.3250000 -0.6982908 0.2096383), wk = 0.0032573 k( 282) = ( 0.3125000 -0.6714335 0.2015753), wk = 0.0032573 k( 283) = ( 0.3000000 -0.6445761 0.1935123), wk = 0.0032573 k( 284) = ( 0.2875000 -0.6177188 0.1854493), wk = 0.0032573 k( 285) = ( 0.2750000 -0.5908614 0.1773863), wk = 0.0032573 k( 286) = ( 0.2625000 -0.5640041 0.1693233), wk = 0.0032573 k( 287) = ( 0.2500000 -0.5371468 0.1612603), wk = 0.0032573 k( 288) = ( 0.2375000 -0.5102894 0.1531972), wk = 0.0032573 k( 289) = ( 0.2250000 -0.4834321 0.1451342), wk = 0.0032573 k( 290) = ( 0.2125000 -0.4565748 0.1370712), wk = 0.0032573 k( 291) = ( 0.2000000 -0.4297174 0.1290082), wk = 0.0032573 k( 292) = ( 0.1875000 -0.4028601 0.1209452), wk = 0.0032573 k( 293) = ( 0.1750000 -0.3760027 0.1128822), wk = 0.0032573 k( 294) = ( 0.1625000 -0.3491454 0.1048192), wk = 0.0032573 k( 295) = ( 0.1500000 -0.3222881 0.0967562), wk = 0.0032573 k( 296) = ( 0.1375000 -0.2954307 0.0886931), wk = 0.0032573 k( 297) = ( 0.1250000 -0.2685734 0.0806301), wk = 0.0032573 k( 298) = ( 0.1125000 -0.2417160 0.0725671), wk = 0.0032573 k( 299) = ( 0.1000000 -0.2148587 0.0645041), wk = 0.0032573 k( 300) = ( 0.0875000 -0.1880014 0.0564411), wk = 0.0032573 k( 301) = ( 0.0750000 -0.1611440 0.0483781), wk = 0.0032573 k( 302) = ( 0.0625000 -0.1342867 0.0403151), wk = 0.0032573 k( 303) = ( 0.0500000 -0.1074294 0.0322521), wk = 0.0032573 k( 304) = ( 0.0375000 -0.0805720 0.0241890), wk = 0.0032573 k( 305) = ( 0.0250000 -0.0537147 0.0161260), wk = 0.0032573 k( 306) = ( 0.0125000 -0.0268573 0.0080630), wk = 0.0032573 k( 307) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 2) = ( 0.0192308 0.0192308 -0.0000000), wk = 0.0032573 k( 3) = ( 0.0384615 0.0384615 -0.0000000), wk = 0.0032573 k( 4) = ( 0.0576923 0.0576923 -0.0000000), wk = 0.0032573 k( 5) = ( 0.0769231 0.0769231 -0.0000000), wk = 0.0032573 k( 6) = ( 0.0961538 0.0961538 0.0000000), wk = 0.0032573 k( 7) = ( 0.1153846 0.1153846 -0.0000000), wk = 0.0032573 k( 8) = ( 0.1346154 0.1346154 0.0000000), wk = 0.0032573 k( 9) = ( 0.1538461 0.1538461 -0.0000000), wk = 0.0032573 k( 10) = ( 0.1730769 0.1730769 0.0000000), wk = 0.0032573 k( 11) = ( 0.1923077 0.1923077 -0.0000000), wk = 0.0032573 k( 12) = ( 0.2115385 0.2115385 -0.0000000), wk = 0.0032573 k( 13) = ( 0.2307692 0.2307692 0.0000000), wk = 0.0032573 k( 14) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0032573 k( 15) = ( 0.2692308 0.2692308 -0.0000000), wk = 0.0032573 k( 16) = ( 0.2884615 0.2884615 0.0000000), wk = 0.0032573 k( 17) = ( 0.3076923 0.3076923 -0.0000000), wk = 0.0032573 k( 18) = ( 0.3269231 0.3269231 0.0000000), wk = 0.0032573 k( 19) = ( 0.3461538 0.3461538 -0.0000000), wk = 0.0032573 k( 20) = ( 0.3653846 0.3653846 0.0000000), wk = 0.0032573 k( 21) = ( 0.3846154 0.3846154 -0.0000000), wk = 0.0032573 k( 22) = ( 0.4038462 0.4038462 0.0000000), wk = 0.0032573 k( 23) = ( 0.4230769 0.4230769 -0.0000000), wk = 0.0032573 k( 24) = ( 0.4423077 0.4423077 0.0000000), wk = 0.0032573 k( 25) = ( 0.4615385 0.4615385 0.0000000), wk = 0.0032573 k( 26) = ( 0.4807692 0.4807692 0.0000000), wk = 0.0032573 k( 27) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 28) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 29) = ( 0.5183570 0.5183571 0.0303643), wk = 0.0032573 k( 30) = ( 0.5183570 0.5183571 0.0303643), wk = 0.0032573 k( 31) = ( 0.5174392 0.5174392 0.0538461), wk = 0.0032573 k( 32) = ( 0.5165213 0.5165213 0.0773278), wk = 0.0032573 k( 33) = ( 0.5156035 0.5156035 0.1008096), wk = 0.0032573 k( 34) = ( 0.5146856 0.5146856 0.1242914), wk = 0.0032573 k( 35) = ( 0.5137678 0.5137678 0.1477732), wk = 0.0032573 k( 36) = ( 0.5128499 0.5128499 0.1712550), wk = 0.0032573 k( 37) = ( 0.5119321 0.5119321 0.1947368), wk = 0.0032573 k( 38) = ( 0.5110142 0.5110142 0.2182186), wk = 0.0032573 k( 39) = ( 0.5100964 0.5100964 0.2417003), wk = 0.0032573 k( 40) = ( 0.5091785 0.5091785 0.2651821), wk = 0.0032573 k( 41) = ( 0.5082607 0.5082607 0.2886639), wk = 0.0032573 k( 42) = ( 0.5073428 0.5073428 0.3121457), wk = 0.0032573 k( 43) = ( 0.5064250 0.5064250 0.3356275), wk = 0.0032573 k( 44) = ( 0.5055071 0.5055071 0.3591093), wk = 0.0032573 k( 45) = ( 0.5045893 0.5045893 0.3825911), wk = 0.0032573 k( 46) = ( 0.5036714 0.5036714 0.4060728), wk = 0.0032573 k( 47) = ( 0.5027536 0.5027536 0.4295546), wk = 0.0032573 k( 48) = ( 0.5018357 0.5018357 0.4530364), wk = 0.0032573 k( 49) = ( 0.5009178 0.5009178 0.4765182), wk = 0.0032573 k( 50) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 51) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032573 k( 52) = ( 0.5065702 0.4934298 0.5000000), wk = 0.0032573 k( 53) = ( 0.5131404 0.4868596 0.5000000), wk = 0.0032573 k( 54) = ( 0.5197106 0.4802894 0.5000000), wk = 0.0032573 k( 55) = ( 0.5262808 0.4737192 0.5000000), wk = 0.0032573 k( 56) = ( 0.5328510 0.4671490 0.5000000), wk = 0.0032573 k( 57) = ( 0.5394212 0.4605788 0.5000000), wk = 0.0032573 k( 58) = ( 0.5459914 0.4540086 0.5000000), wk = 0.0032573 k( 59) = ( 0.5525616 0.4474384 0.5000000), wk = 0.0032573 k( 60) = ( 0.5591318 0.4408682 0.5000000), wk = 0.0032573 k( 61) = ( 0.5657020 0.4342980 0.5000000), wk = 0.0032573 k( 62) = ( 0.5722722 0.4277278 0.5000000), wk = 0.0032573 k( 63) = ( 0.5788424 0.4211576 0.5000000), wk = 0.0032573 k( 64) = ( 0.5854126 0.4145874 0.5000000), wk = 0.0032573 k( 65) = ( 0.5919828 0.4080172 0.5000000), wk = 0.0032573 k( 66) = ( 0.5985530 0.4014470 0.5000000), wk = 0.0032573 k( 67) = ( 0.6051232 0.3948768 0.5000000), wk = 0.0032573 k( 68) = ( 0.6116934 0.3883066 0.5000000), wk = 0.0032573 k( 69) = ( 0.6182636 0.3817364 0.5000000), wk = 0.0032573 k( 70) = ( 0.6248338 0.3751662 0.5000000), wk = 0.0032573 k( 71) = ( 0.6314040 0.3685960 0.5000000), wk = 0.0032573 k( 72) = ( 0.6379742 0.3620258 0.5000000), wk = 0.0032573 k( 73) = ( 0.6445444 0.3554556 0.5000000), wk = 0.0032573 k( 74) = ( 0.6511146 0.3488854 0.5000000), wk = 0.0032573 k( 75) = ( 0.6576848 0.3423152 0.5000000), wk = 0.0032573 k( 76) = ( 0.6642550 0.3357450 0.5000000), wk = 0.0032573 k( 77) = ( 0.6708252 0.3291748 0.5000000), wk = 0.0032573 k( 78) = ( 0.6773954 0.3226046 0.5000000), wk = 0.0032573 k( 79) = ( 0.6839656 0.3160344 0.5000000), wk = 0.0032573 k( 80) = ( 0.6905358 0.3094642 0.5000000), wk = 0.0032573 k( 81) = ( 0.6971060 0.3028940 0.5000000), wk = 0.0032573 k( 82) = ( 0.7036762 0.2963238 0.5000000), wk = 0.0032573 k( 83) = ( 0.7102464 0.2897536 0.5000000), wk = 0.0032573 k( 84) = ( 0.7168166 0.2831834 0.5000000), wk = 0.0032573 k( 85) = ( 0.7233868 0.2766132 0.5000000), wk = 0.0032573 k( 86) = ( 0.7299570 0.2700430 0.5000000), wk = 0.0032573 k( 87) = ( 0.7365272 0.2634728 0.5000000), wk = 0.0032573 k( 88) = ( 0.7430974 0.2569026 0.5000000), wk = 0.0032573 k( 89) = ( 0.7496676 0.2503324 0.5000000), wk = 0.0032573 k( 90) = ( 0.7562378 0.2437623 0.5000000), wk = 0.0032573 k( 91) = ( 0.2437623 -0.2437622 0.5000000), wk = 0.0032573 k( 92) = ( 0.2371741 -0.2371741 0.5000000), wk = 0.0032573 k( 93) = ( 0.2305859 -0.2305859 0.5000000), wk = 0.0032573 k( 94) = ( 0.2239977 -0.2239977 0.5000000), wk = 0.0032573 k( 95) = ( 0.2174096 -0.2174096 0.5000000), wk = 0.0032573 k( 96) = ( 0.2108214 -0.2108214 0.5000000), wk = 0.0032573 k( 97) = ( 0.2042332 -0.2042332 0.5000000), wk = 0.0032573 k( 98) = ( 0.1976451 -0.1976451 0.5000000), wk = 0.0032573 k( 99) = ( 0.1910569 -0.1910569 0.5000000), wk = 0.0032573 k( 100) = ( 0.1844687 -0.1844687 0.5000000), wk = 0.0032573 k( 101) = ( 0.1778806 -0.1778806 0.5000000), wk = 0.0032573 k( 102) = ( 0.1712924 -0.1712924 0.5000000), wk = 0.0032573 k( 103) = ( 0.1647042 -0.1647042 0.5000000), wk = 0.0032573 k( 104) = ( 0.1581161 -0.1581161 0.5000000), wk = 0.0032573 k( 105) = ( 0.1515279 -0.1515279 0.5000000), wk = 0.0032573 k( 106) = ( 0.1449397 -0.1449397 0.5000000), wk = 0.0032573 k( 107) = ( 0.1383515 -0.1383515 0.5000000), wk = 0.0032573 k( 108) = ( 0.1317634 -0.1317634 0.5000000), wk = 0.0032573 k( 109) = ( 0.1251752 -0.1251752 0.5000000), wk = 0.0032573 k( 110) = ( 0.1185870 -0.1185870 0.5000000), wk = 0.0032573 k( 111) = ( 0.1119989 -0.1119989 0.5000000), wk = 0.0032573 k( 112) = ( 0.1054107 -0.1054107 0.5000000), wk = 0.0032573 k( 113) = ( 0.0988225 -0.0988225 0.5000000), wk = 0.0032573 k( 114) = ( 0.0922344 -0.0922344 0.5000000), wk = 0.0032573 k( 115) = ( 0.0856462 -0.0856462 0.5000000), wk = 0.0032573 k( 116) = ( 0.0790580 -0.0790580 0.5000000), wk = 0.0032573 k( 117) = ( 0.0724699 -0.0724699 0.5000000), wk = 0.0032573 k( 118) = ( 0.0658817 -0.0658817 0.5000000), wk = 0.0032573 k( 119) = ( 0.0592935 -0.0592935 0.5000000), wk = 0.0032573 k( 120) = ( 0.0527053 -0.0527053 0.5000000), wk = 0.0032573 k( 121) = ( 0.0461172 -0.0461172 0.5000000), wk = 0.0032573 k( 122) = ( 0.0395290 -0.0395290 0.5000000), wk = 0.0032573 k( 123) = ( 0.0329408 -0.0329408 0.5000000), wk = 0.0032573 k( 124) = ( 0.0263527 -0.0263527 0.5000000), wk = 0.0032573 k( 125) = ( 0.0197645 -0.0197645 0.5000000), wk = 0.0032573 k( 126) = ( 0.0131763 -0.0131763 0.5000000), wk = 0.0032573 k( 127) = ( 0.0065882 -0.0065882 0.5000000), wk = 0.0032573 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032573 k( 130) = ( 0.0283319 0.0283319 0.5276256), wk = 0.0032573 k( 131) = ( 0.0566639 0.0566639 0.5552513), wk = 0.0032573 k( 132) = ( 0.0849958 0.0849958 0.5828769), wk = 0.0032573 k( 133) = ( 0.1133278 0.1133278 0.6105025), wk = 0.0032573 k( 134) = ( 0.1416597 0.1416597 0.6381282), wk = 0.0032573 k( 135) = ( 0.1699916 0.1699916 0.6657538), wk = 0.0032573 k( 136) = ( 0.1983236 0.1983236 0.6933794), wk = 0.0032573 k( 137) = ( 0.2266555 0.2266555 0.7210051), wk = 0.0032573 k( 138) = ( 0.2549875 0.2549875 0.7486307), wk = 0.0032573 k( 139) = ( 0.2833194 0.2833194 0.7762563), wk = 0.0032573 k( 140) = ( 0.3116513 0.3116513 0.8038819), wk = 0.0032573 k( 141) = ( 0.3399833 0.3399833 0.8315076), wk = 0.0032573 k( 142) = ( 0.3683152 0.3683152 0.8591332), wk = 0.0032573 k( 143) = ( 0.3966471 0.3966471 0.8867588), wk = 0.0032573 k( 144) = ( 0.4249791 0.4249791 0.9143845), wk = 0.0032573 k( 145) = ( 0.4533110 0.4533110 0.9420101), wk = 0.0032573 k( 146) = ( 0.4816430 0.4816429 0.9696357), wk = 0.0032573 k( 147) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032573 k( 148) = ( 0.5064756 0.4935244 0.0000000), wk = 0.0032573 k( 149) = ( 0.5129513 0.4870487 0.0000000), wk = 0.0032573 k( 150) = ( 0.5194269 0.4805731 -0.0000000), wk = 0.0032573 k( 151) = ( 0.5259025 0.4740974 -0.0000000), wk = 0.0032573 k( 152) = ( 0.5323782 0.4676218 0.0000000), wk = 0.0032573 k( 153) = ( 0.5388538 0.4611462 0.0000000), wk = 0.0032573 k( 154) = ( 0.5453295 0.4546705 0.0000000), wk = 0.0032573 k( 155) = ( 0.5518051 0.4481949 0.0000000), wk = 0.0032573 k( 156) = ( 0.5582807 0.4417193 0.0000000), wk = 0.0032573 k( 157) = ( 0.5647564 0.4352436 0.0000000), wk = 0.0032573 k( 158) = ( 0.5712320 0.4287680 -0.0000000), wk = 0.0032573 k( 159) = ( 0.5777076 0.4222924 -0.0000000), wk = 0.0032573 k( 160) = ( 0.5841833 0.4158167 0.0000000), wk = 0.0032573 k( 161) = ( 0.5906589 0.4093411 -0.0000000), wk = 0.0032573 k( 162) = ( 0.5971346 0.4028655 0.0000000), wk = 0.0032573 k( 163) = ( 0.6036102 0.3963898 0.0000000), wk = 0.0032573 k( 164) = ( 0.6100858 0.3899142 -0.0000000), wk = 0.0032573 k( 165) = ( 0.6165615 0.3834385 0.0000000), wk = 0.0032573 k( 166) = ( 0.6230371 0.3769629 0.0000000), wk = 0.0032573 k( 167) = ( 0.6295127 0.3704873 0.0000000), wk = 0.0032573 k( 168) = ( 0.6359884 0.3640116 0.0000000), wk = 0.0032573 k( 169) = ( 0.6424640 0.3575360 0.0000000), wk = 0.0032573 k( 170) = ( 0.6489396 0.3510604 0.0000000), wk = 0.0032573 k( 171) = ( 0.6554153 0.3445847 -0.0000000), wk = 0.0032573 k( 172) = ( 0.6618909 0.3381091 0.0000000), wk = 0.0032573 k( 173) = ( 0.6683666 0.3316335 0.0000000), wk = 0.0032573 k( 174) = ( 0.6748422 0.3251578 -0.0000000), wk = 0.0032573 k( 175) = ( 0.6813178 0.3186822 0.0000000), wk = 0.0032573 k( 176) = ( 0.6877935 0.3122065 0.0000000), wk = 0.0032573 k( 177) = ( 0.6942691 0.3057309 0.0000000), wk = 0.0032573 k( 178) = ( 0.7007447 0.2992553 -0.0000000), wk = 0.0032573 k( 179) = ( 0.7072204 0.2927796 0.0000000), wk = 0.0032573 k( 180) = ( 0.7136960 0.2863040 -0.0000000), wk = 0.0032573 k( 181) = ( 0.7201716 0.2798284 -0.0000000), wk = 0.0032573 k( 182) = ( 0.2798284 -0.2798284 0.0000000), wk = 0.0032573 k( 183) = ( 0.2733207 -0.2733207 0.0000000), wk = 0.0032573 k( 184) = ( 0.2668131 -0.2668131 -0.0000000), wk = 0.0032573 k( 185) = ( 0.2603054 -0.2603054 0.0000000), wk = 0.0032573 k( 186) = ( 0.2537978 -0.2537978 0.0000000), wk = 0.0032573 k( 187) = ( 0.2472902 -0.2472902 0.0000000), wk = 0.0032573 k( 188) = ( 0.2407825 -0.2407825 -0.0000000), wk = 0.0032573 k( 189) = ( 0.2342749 -0.2342749 -0.0000000), wk = 0.0032573 k( 190) = ( 0.2277673 -0.2277673 0.0000000), wk = 0.0032573 k( 191) = ( 0.2212596 -0.2212596 -0.0000000), wk = 0.0032573 k( 192) = ( 0.2147520 -0.2147520 -0.0000000), wk = 0.0032573 k( 193) = ( 0.2082444 -0.2082444 0.0000000), wk = 0.0032573 k( 194) = ( 0.2017367 -0.2017367 0.0000000), wk = 0.0032573 k( 195) = ( 0.1952291 -0.1952291 0.0000000), wk = 0.0032573 k( 196) = ( 0.1887215 -0.1887214 -0.0000000), wk = 0.0032573 k( 197) = ( 0.1822138 -0.1822138 0.0000000), wk = 0.0032573 k( 198) = ( 0.1757062 -0.1757062 -0.0000000), wk = 0.0032573 k( 199) = ( 0.1691985 -0.1691985 0.0000000), wk = 0.0032573 k( 200) = ( 0.1626909 -0.1626909 0.0000000), wk = 0.0032573 k( 201) = ( 0.1561833 -0.1561833 0.0000000), wk = 0.0032573 k( 202) = ( 0.1496756 -0.1496756 0.0000000), wk = 0.0032573 k( 203) = ( 0.1431680 -0.1431680 0.0000000), wk = 0.0032573 k( 204) = ( 0.1366604 -0.1366604 0.0000000), wk = 0.0032573 k( 205) = ( 0.1301527 -0.1301527 -0.0000000), wk = 0.0032573 k( 206) = ( 0.1236451 -0.1236451 0.0000000), wk = 0.0032573 k( 207) = ( 0.1171375 -0.1171374 0.0000000), wk = 0.0032573 k( 208) = ( 0.1106298 -0.1106298 0.0000000), wk = 0.0032573 k( 209) = ( 0.1041222 -0.1041222 0.0000000), wk = 0.0032573 k( 210) = ( 0.0976145 -0.0976145 0.0000000), wk = 0.0032573 k( 211) = ( 0.0911069 -0.0911069 0.0000000), wk = 0.0032573 k( 212) = ( 0.0845993 -0.0845993 0.0000000), wk = 0.0032573 k( 213) = ( 0.0780916 -0.0780916 0.0000000), wk = 0.0032573 k( 214) = ( 0.0715840 -0.0715840 0.0000000), wk = 0.0032573 k( 215) = ( 0.0650764 -0.0650764 0.0000000), wk = 0.0032573 k( 216) = ( 0.0585687 -0.0585687 -0.0000000), wk = 0.0032573 k( 217) = ( 0.0520611 -0.0520611 0.0000000), wk = 0.0032573 k( 218) = ( 0.0455535 -0.0455534 0.0000000), wk = 0.0032573 k( 219) = ( 0.0390458 -0.0390458 0.0000000), wk = 0.0032573 k( 220) = ( 0.0325382 -0.0325382 0.0000000), wk = 0.0032573 k( 221) = ( 0.0260305 -0.0260305 0.0000000), wk = 0.0032573 k( 222) = ( 0.0195229 -0.0195229 0.0000000), wk = 0.0032573 k( 223) = ( 0.0130153 -0.0130153 -0.0000000), wk = 0.0032573 k( 224) = ( 0.0065076 -0.0065076 -0.0000000), wk = 0.0032573 k( 225) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 226) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 k( 227) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0032573 k( 228) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0032573 k( 229) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0032573 k( 230) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0032573 k( 231) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0032573 k( 232) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0032573 k( 233) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0032573 k( 234) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0032573 k( 235) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0032573 k( 236) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0032573 k( 237) = ( 0.1375000 0.0000000 0.0000000), wk = 0.0032573 k( 238) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0032573 k( 239) = ( 0.1625000 0.0000000 -0.0000000), wk = 0.0032573 k( 240) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0032573 k( 241) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0032573 k( 242) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0032573 k( 243) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0032573 k( 244) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0032573 k( 245) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0032573 k( 246) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0032573 k( 247) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0032573 k( 248) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0032573 k( 249) = ( 0.2875000 0.0000000 -0.0000000), wk = 0.0032573 k( 250) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0032573 k( 251) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0032573 k( 252) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0032573 k( 253) = ( 0.3375000 0.0000000 0.0000000), wk = 0.0032573 k( 254) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0032573 k( 255) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0032573 k( 256) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0032573 k( 257) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0032573 k( 258) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0032573 k( 259) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0032573 k( 260) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0032573 k( 261) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0032573 k( 262) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0032573 k( 263) = ( 0.4625000 0.0000000 0.0000000), wk = 0.0032573 k( 264) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0032573 k( 265) = ( 0.4875000 0.0000000 0.0000000), wk = 0.0032573 k( 266) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032573 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032573 k( 268) = ( 0.4875000 0.0000000 0.4875000), wk = 0.0032573 k( 269) = ( 0.4750000 0.0000000 0.4750000), wk = 0.0032573 k( 270) = ( 0.4625000 0.0000000 0.4625000), wk = 0.0032573 k( 271) = ( 0.4500000 0.0000000 0.4500000), wk = 0.0032573 k( 272) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0032573 k( 273) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0032573 k( 274) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0032573 k( 275) = ( 0.4000000 0.0000000 0.4000000), wk = 0.0032573 k( 276) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0032573 k( 277) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0032573 k( 278) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0032573 k( 279) = ( 0.3500000 0.0000000 0.3500000), wk = 0.0032573 k( 280) = ( 0.3375000 0.0000000 0.3375000), wk = 0.0032573 k( 281) = ( 0.3250000 0.0000000 0.3250000), wk = 0.0032573 k( 282) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0032573 k( 283) = ( 0.3000000 0.0000000 0.3000000), wk = 0.0032573 k( 284) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0032573 k( 285) = ( 0.2750000 0.0000000 0.2750000), wk = 0.0032573 k( 286) = ( 0.2625000 0.0000000 0.2625000), wk = 0.0032573 k( 287) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0032573 k( 288) = ( 0.2375000 0.0000000 0.2375000), wk = 0.0032573 k( 289) = ( 0.2250000 0.0000000 0.2250000), wk = 0.0032573 k( 290) = ( 0.2125000 0.0000000 0.2125000), wk = 0.0032573 k( 291) = ( 0.2000000 0.0000000 0.2000000), wk = 0.0032573 k( 292) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0032573 k( 293) = ( 0.1750000 0.0000000 0.1750000), wk = 0.0032573 k( 294) = ( 0.1625000 0.0000000 0.1625000), wk = 0.0032573 k( 295) = ( 0.1500000 0.0000000 0.1500000), wk = 0.0032573 k( 296) = ( 0.1375000 0.0000000 0.1375000), wk = 0.0032573 k( 297) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0032573 k( 298) = ( 0.1125000 0.0000000 0.1125000), wk = 0.0032573 k( 299) = ( 0.1000000 0.0000000 0.1000000), wk = 0.0032573 k( 300) = ( 0.0875000 0.0000000 0.0875000), wk = 0.0032573 k( 301) = ( 0.0750000 0.0000000 0.0750000), wk = 0.0032573 k( 302) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0032573 k( 303) = ( 0.0500000 0.0000000 0.0500000), wk = 0.0032573 k( 304) = ( 0.0375000 0.0000000 0.0375000), wk = 0.0032573 k( 305) = ( 0.0250000 0.0000000 0.0250000), wk = 0.0032573 k( 306) = ( 0.0125000 0.0000000 0.0125000), wk = 0.0032573 k( 307) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032573 Dense grid: 66825 G-vectors FFT dimensions: ( 75, 75, 90) Smooth grid: 62379 G-vectors FFT dimensions: ( 72, 72, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.33 Mb ( 344, 62) NL pseudopotentials 0.71 Mb ( 172, 272) Each V/rho on FFT grid 0.17 Mb ( 11250) Each G-vector array 0.01 Mb ( 1393) G-vector shells 0.01 Mb ( 1365) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.30 Mb ( 344, 248) Each subspace H/S matrix 0.94 Mb ( 248, 248) Each matrix 0.51 Mb ( 272, 2, 62) The potential is recalculated from file : ./TeI.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 45.0 secs Computing kpt #: 2 total cpu time spent up to now is 49.2 secs Computing kpt #: 3 total cpu time spent up to now is 53.7 secs Computing kpt #: 4 total cpu time spent up to now is 58.2 secs Computing kpt #: 5 total cpu time spent up to now is 62.7 secs Computing kpt #: 6 total cpu time spent up to now is 67.2 secs Computing kpt #: 7 total cpu time spent up to now is 71.7 secs Computing kpt #: 8 total cpu time spent up to now is 76.2 secs Computing kpt #: 9 total cpu time spent up to now is 80.7 secs Computing kpt #: 10 total cpu time spent up to now is 85.4 secs Computing kpt #: 11 total cpu time spent up to now is 90.0 secs Computing kpt #: 12 total cpu time spent up to now is 94.6 secs Computing kpt #: 13 total cpu time spent up to now is 99.5 secs Computing kpt #: 14 total cpu time spent up to now is 104.3 secs Computing kpt #: 15 total cpu time spent up to now is 109.1 secs Computing kpt #: 16 total cpu time spent up to now is 113.9 secs Computing kpt #: 17 total cpu time spent up to now is 118.6 secs Computing kpt #: 18 total cpu time spent up to now is 123.4 secs Computing kpt #: 19 total cpu time spent up to now is 128.3 secs Computing kpt #: 20 total cpu time spent up to now is 133.3 secs Computing kpt #: 21 total cpu time spent up to now is 138.1 secs Computing kpt #: 22 total cpu time spent up to now is 142.8 secs Computing kpt #: 23 total cpu time spent up to now is 147.5 secs Computing kpt #: 24 total cpu time spent up to now is 152.2 secs Computing kpt #: 25 total cpu time spent up to now is 156.8 secs Computing kpt #: 26 total cpu time spent up to now is 161.5 secs Computing kpt #: 27 total cpu time spent up to now is 166.1 secs Computing kpt #: 28 total cpu time spent up to now is 170.8 secs Computing kpt #: 29 total cpu time spent up to now is 175.4 secs Computing kpt #: 30 total cpu time spent up to now is 180.0 secs Computing kpt #: 31 total cpu time spent up to now is 184.5 secs Computing kpt #: 32 total cpu time spent up to now is 189.1 secs Computing kpt #: 33 total cpu time spent up to now is 193.7 secs Computing kpt #: 34 total cpu time spent up to now is 198.5 secs Computing kpt #: 35 total cpu time spent up to now is 203.1 secs Computing kpt #: 36 total cpu time spent up to now is 207.9 secs Computing kpt #: 37 total cpu time spent up to now is 212.6 secs Computing kpt #: 38 total cpu time spent up to now is 217.5 secs Computing kpt #: 39 total cpu time spent up to now is 222.6 secs Computing kpt #: 40 total cpu time spent up to now is 227.8 secs Computing kpt #: 41 total cpu time spent up to now is 232.9 secs Computing kpt #: 42 total cpu time spent up to now is 238.2 secs Computing kpt #: 43 total cpu time spent up to now is 243.5 secs Computing kpt #: 44 total cpu time spent up to now is 248.8 secs Computing kpt #: 45 total cpu time spent up to now is 254.0 secs Computing kpt #: 46 total cpu time spent up to now is 259.2 secs Computing kpt #: 47 total cpu time spent up to now is 264.7 secs Computing kpt #: 48 total cpu time spent up to now is 270.2 secs Computing kpt #: 49 total cpu time spent up to now is 275.4 secs Computing kpt #: 50 total cpu time spent up to now is 280.8 secs Computing kpt #: 51 total cpu time spent up to now is 286.1 secs Computing kpt #: 52 total cpu time spent up to now is 291.4 secs Computing kpt #: 53 total cpu time spent up to now is 297.1 secs Computing kpt #: 54 total cpu time spent up to now is 302.3 secs Computing kpt #: 55 total cpu time spent up to now is 307.5 secs Computing kpt #: 56 total cpu time spent up to now is 312.7 secs Computing kpt #: 57 total cpu time spent up to now is 317.9 secs Computing kpt #: 58 total cpu time spent up to now is 323.1 secs Computing kpt #: 59 total cpu time spent up to now is 328.3 secs Computing kpt #: 60 total cpu time spent up to now is 333.8 secs Computing kpt #: 61 total cpu time spent up to now is 339.0 secs Computing kpt #: 62 total cpu time spent up to now is 344.2 secs Computing kpt #: 63 total cpu time spent up to now is 349.3 secs Computing kpt #: 64 total cpu time spent up to now is 354.4 secs Computing kpt #: 65 total cpu time spent up to now is 359.5 secs Computing kpt #: 66 total cpu time spent up to now is 364.6 secs Computing kpt #: 67 total cpu time spent up to now is 369.7 secs Computing kpt #: 68 total cpu time spent up to now is 374.6 secs Computing kpt #: 69 total cpu time spent up to now is 379.5 secs Computing kpt #: 70 total cpu time spent up to now is 384.5 secs Computing kpt #: 71 total cpu time spent up to now is 389.4 secs Computing kpt #: 72 total cpu time spent up to now is 394.4 secs Computing kpt #: 73 total cpu time spent up to now is 399.4 secs Computing kpt #: 74 total cpu time spent up to now is 404.5 secs Computing kpt #: 75 total cpu time spent up to now is 409.5 secs Computing kpt #: 76 total cpu time spent up to now is 414.5 secs Computing kpt #: 77 total cpu time spent up to now is 419.5 secs Computing kpt #: 78 total cpu time spent up to now is 424.7 secs Computing kpt #: 79 total cpu time spent up to now is 429.7 secs Computing kpt #: 80 total cpu time spent up to now is 434.6 secs Computing kpt #: 81 total cpu time spent up to now is 439.6 secs Computing kpt #: 82 total cpu time spent up to now is 444.6 secs Computing kpt #: 83 total cpu time spent up to now is 449.6 secs Computing kpt #: 84 total cpu time spent up to now is 454.5 secs Computing kpt #: 85 total cpu time spent up to now is 459.5 secs Computing kpt #: 86 total cpu time spent up to now is 464.5 secs Computing kpt #: 87 total cpu time spent up to now is 469.4 secs Computing kpt #: 88 total cpu time spent up to now is 474.4 secs Computing kpt #: 89 total cpu time spent up to now is 479.3 secs Computing kpt #: 90 total cpu time spent up to now is 484.1 secs Computing kpt #: 91 total cpu time spent up to now is 488.9 secs Computing kpt #: 92 total cpu time spent up to now is 493.7 secs Computing kpt #: 93 total cpu time spent up to now is 498.7 secs Computing kpt #: 94 total cpu time spent up to now is 503.7 secs Computing kpt #: 95 total cpu time spent up to now is 508.5 secs Computing kpt #: 96 total cpu time spent up to now is 513.5 secs Computing kpt #: 97 total cpu time spent up to now is 518.5 secs Computing kpt #: 98 total cpu time spent up to now is 523.5 secs Computing kpt #: 99 total cpu time spent up to now is 528.6 secs Computing kpt #: 100 total cpu time spent up to now is 533.8 secs Computing kpt #: 101 total cpu time spent up to now is 538.8 secs Computing kpt #: 102 total cpu time spent up to now is 543.7 secs Computing kpt #: 103 total cpu time spent up to now is 548.6 secs Computing kpt #: 104 total cpu time spent up to now is 553.4 secs Computing kpt #: 105 total cpu time spent up to now is 558.2 secs Computing kpt #: 106 total cpu time spent up to now is 562.9 secs Computing kpt #: 107 total cpu time spent up to now is 567.7 secs Computing kpt #: 108 total cpu time spent up to now is 572.5 secs Computing kpt #: 109 total cpu time spent up to now is 577.2 secs Computing kpt #: 110 total cpu time spent up to now is 581.9 secs Computing kpt #: 111 total cpu time spent up to now is 586.8 secs Computing kpt #: 112 total cpu time spent up to now is 591.7 secs Computing kpt #: 113 total cpu time spent up to now is 596.2 secs Computing kpt #: 114 total cpu time spent up to now is 601.0 secs Computing kpt #: 115 total cpu time spent up to now is 605.6 secs Computing kpt #: 116 total cpu time spent up to now is 610.3 secs Computing kpt #: 117 total cpu time spent up to now is 614.8 secs Computing kpt #: 118 total cpu time spent up to now is 619.3 secs Computing kpt #: 119 total cpu time spent up to now is 623.7 secs Computing kpt #: 120 total cpu time spent up to now is 628.2 secs Computing kpt #: 121 total cpu time spent up to now is 632.6 secs Computing kpt #: 122 total cpu time spent up to now is 637.0 secs Computing kpt #: 123 total cpu time spent up to now is 641.4 secs Computing kpt #: 124 total cpu time spent up to now is 645.6 secs Computing kpt #: 125 total cpu time spent up to now is 649.9 secs Computing kpt #: 126 total cpu time spent up to now is 654.0 secs Computing kpt #: 127 total cpu time spent up to now is 658.5 secs Computing kpt #: 128 total cpu time spent up to now is 662.6 secs Computing kpt #: 129 total cpu time spent up to now is 666.2 secs Computing kpt #: 130 total cpu time spent up to now is 670.5 secs Computing kpt #: 131 total cpu time spent up to now is 674.7 secs Computing kpt #: 132 total cpu time spent up to now is 678.9 secs Computing kpt #: 133 total cpu time spent up to now is 683.3 secs Computing kpt #: 134 total cpu time spent up to now is 687.8 secs Computing kpt #: 135 total cpu time spent up to now is 692.5 secs Computing kpt #: 136 total cpu time spent up to now is 697.1 secs Computing kpt #: 137 total cpu time spent up to now is 701.7 secs Computing kpt #: 138 total cpu time spent up to now is 706.3 secs Computing kpt #: 139 total cpu time spent up to now is 711.0 secs Computing kpt #: 140 total cpu time spent up to now is 715.6 secs Computing kpt #: 141 total cpu time spent up to now is 720.3 secs Computing kpt #: 142 total cpu time spent up to now is 724.9 secs Computing kpt #: 143 total cpu time spent up to now is 729.7 secs Computing kpt #: 144 total cpu time spent up to now is 734.4 secs Computing kpt #: 145 total cpu time spent up to now is 739.0 secs Computing kpt #: 146 total cpu time spent up to now is 743.5 secs Computing kpt #: 147 total cpu time spent up to now is 748.1 secs Computing kpt #: 148 total cpu time spent up to now is 752.8 secs Computing kpt #: 149 total cpu time spent up to now is 757.4 secs Computing kpt #: 150 total cpu time spent up to now is 762.1 secs Computing kpt #: 151 total cpu time spent up to now is 766.8 secs Computing kpt #: 152 total cpu time spent up to now is 771.4 secs Computing kpt #: 153 total cpu time spent up to now is 776.0 secs Computing kpt #: 154 total cpu time spent up to now is 780.7 secs Computing kpt #: 155 total cpu time spent up to now is 785.4 secs Computing kpt #: 156 total cpu time spent up to now is 790.2 secs Computing kpt #: 157 total cpu time spent up to now is 794.9 secs Computing kpt #: 158 total cpu time spent up to now is 799.7 secs Computing kpt #: 159 total cpu time spent up to now is 804.6 secs Computing kpt #: 160 total cpu time spent up to now is 809.5 secs Computing kpt #: 161 total cpu time spent up to now is 814.5 secs Computing kpt #: 162 total cpu time spent up to now is 819.4 secs Computing kpt #: 163 total cpu time spent up to now is 824.3 secs Computing kpt #: 164 total cpu time spent up to now is 830.0 secs Computing kpt #: 165 total cpu time spent up to now is 835.1 secs Computing kpt #: 166 total cpu time spent up to now is 840.2 secs Computing kpt #: 167 total cpu time spent up to now is 845.5 secs Computing kpt #: 168 total cpu time spent up to now is 850.7 secs Computing kpt #: 169 total cpu time spent up to now is 855.8 secs Computing kpt #: 170 total cpu time spent up to now is 860.9 secs Computing kpt #: 171 total cpu time spent up to now is 865.9 secs Computing kpt #: 172 total cpu time spent up to now is 870.9 secs Computing kpt #: 173 total cpu time spent up to now is 876.0 secs Computing kpt #: 174 total cpu time spent up to now is 881.2 secs Computing kpt #: 175 total cpu time spent up to now is 886.3 secs Computing kpt #: 176 total cpu time spent up to now is 891.6 secs Computing kpt #: 177 total cpu time spent up to now is 896.8 secs Computing kpt #: 178 total cpu time spent up to now is 902.2 secs Computing kpt #: 179 total cpu time spent up to now is 907.4 secs Computing kpt #: 180 total cpu time spent up to now is 912.6 secs Computing kpt #: 181 total cpu time spent up to now is 917.8 secs Computing kpt #: 182 total cpu time spent up to now is 923.0 secs Computing kpt #: 183 total cpu time spent up to now is 928.3 secs Computing kpt #: 184 total cpu time spent up to now is 933.7 secs Computing kpt #: 185 total cpu time spent up to now is 938.8 secs Computing kpt #: 186 total cpu time spent up to now is 943.9 secs Computing kpt #: 187 total cpu time spent up to now is 949.0 secs Computing kpt #: 188 total cpu time spent up to now is 954.1 secs Computing kpt #: 189 total cpu time spent up to now is 959.3 secs Computing kpt #: 190 total cpu time spent up to now is 964.9 secs Computing kpt #: 191 total cpu time spent up to now is 969.9 secs Computing kpt #: 192 total cpu time spent up to now is 974.9 secs Computing kpt #: 193 total cpu time spent up to now is 979.9 secs Computing kpt #: 194 total cpu time spent up to now is 985.0 secs Computing kpt #: 195 total cpu time spent up to now is 990.0 secs Computing kpt #: 196 total cpu time spent up to now is 994.9 secs Computing kpt #: 197 total cpu time spent up to now is 999.8 secs Computing kpt #: 198 total cpu time spent up to now is 1004.8 secs Computing kpt #: 199 total cpu time spent up to now is 1009.7 secs Computing kpt #: 200 total cpu time spent up to now is 1014.5 secs Computing kpt #: 201 total cpu time spent up to now is 1019.3 secs Computing kpt #: 202 total cpu time spent up to now is 1024.1 secs Computing kpt #: 203 total cpu time spent up to now is 1029.1 secs Computing kpt #: 204 total cpu time spent up to now is 1034.1 secs Computing kpt #: 205 total cpu time spent up to now is 1038.8 secs Computing kpt #: 206 total cpu time spent up to now is 1043.8 secs Computing kpt #: 207 total cpu time spent up to now is 1048.5 secs Computing kpt #: 208 total cpu time spent up to now is 1053.2 secs Computing kpt #: 209 total cpu time spent up to now is 1057.8 secs Computing kpt #: 210 total cpu time spent up to now is 1062.3 secs Computing kpt #: 211 total cpu time spent up to now is 1066.9 secs Computing kpt #: 212 total cpu time spent up to now is 1071.5 secs Computing kpt #: 213 total cpu time spent up to now is 1076.0 secs Computing kpt #: 214 total cpu time spent up to now is 1080.6 secs Computing kpt #: 215 total cpu time spent up to now is 1085.1 secs Computing kpt #: 216 total cpu time spent up to now is 1089.7 secs Computing kpt #: 217 total cpu time spent up to now is 1094.2 secs Computing kpt #: 218 total cpu time spent up to now is 1098.8 secs Computing kpt #: 219 total cpu time spent up to now is 1103.2 secs Computing kpt #: 220 total cpu time spent up to now is 1108.3 secs Computing kpt #: 221 total cpu time spent up to now is 1112.8 secs Computing kpt #: 222 total cpu time spent up to now is 1117.3 secs Computing kpt #: 223 total cpu time spent up to now is 1121.8 secs Computing kpt #: 224 total cpu time spent up to now is 1126.4 secs Computing kpt #: 225 total cpu time spent up to now is 1131.1 secs Computing kpt #: 226 total cpu time spent up to now is 1135.1 secs Computing kpt #: 227 total cpu time spent up to now is 1139.6 secs Computing kpt #: 228 total cpu time spent up to now is 1144.2 secs Computing kpt #: 229 total cpu time spent up to now is 1148.7 secs Computing kpt #: 230 total cpu time spent up to now is 1153.4 secs Computing kpt #: 231 total cpu time spent up to now is 1157.9 secs Computing kpt #: 232 total cpu time spent up to now is 1162.8 secs Computing kpt #: 233 total cpu time spent up to now is 1167.7 secs Computing kpt #: 234 total cpu time spent up to now is 1172.4 secs Computing kpt #: 235 total cpu time spent up to now is 1177.0 secs Computing kpt #: 236 total cpu time spent up to now is 1181.6 secs Computing kpt #: 237 total cpu time spent up to now is 1186.2 secs Computing kpt #: 238 total cpu time spent up to now is 1190.8 secs Computing kpt #: 239 total cpu time spent up to now is 1195.4 secs Computing kpt #: 240 total cpu time spent up to now is 1200.0 secs Computing kpt #: 241 total cpu time spent up to now is 1204.7 secs Computing kpt #: 242 total cpu time spent up to now is 1209.5 secs Computing kpt #: 243 total cpu time spent up to now is 1214.2 secs Computing kpt #: 244 total cpu time spent up to now is 1218.9 secs Computing kpt #: 245 total cpu time spent up to now is 1224.1 secs Computing kpt #: 246 total cpu time spent up to now is 1228.9 secs Computing kpt #: 247 total cpu time spent up to now is 1233.9 secs Computing kpt #: 248 total cpu time spent up to now is 1238.8 secs Computing kpt #: 249 total cpu time spent up to now is 1243.8 secs Computing kpt #: 250 total cpu time spent up to now is 1248.7 secs Computing kpt #: 251 total cpu time spent up to now is 1253.6 secs Computing kpt #: 252 total cpu time spent up to now is 1258.6 secs Computing kpt #: 253 total cpu time spent up to now is 1263.4 secs Computing kpt #: 254 total cpu time spent up to now is 1268.7 secs Computing kpt #: 255 total cpu time spent up to now is 1273.6 secs Computing kpt #: 256 total cpu time spent up to now is 1278.5 secs Computing kpt #: 257 total cpu time spent up to now is 1283.4 secs Computing kpt #: 258 total cpu time spent up to now is 1288.4 secs Computing kpt #: 259 total cpu time spent up to now is 1293.2 secs Computing kpt #: 260 total cpu time spent up to now is 1298.1 secs Computing kpt #: 261 total cpu time spent up to now is 1303.1 secs Computing kpt #: 262 total cpu time spent up to now is 1308.0 secs Computing kpt #: 263 total cpu time spent up to now is 1312.8 secs Computing kpt #: 264 total cpu time spent up to now is 1317.8 secs Computing kpt #: 265 total cpu time spent up to now is 1322.8 secs Computing kpt #: 266 total cpu time spent up to now is 1327.9 secs Computing kpt #: 267 total cpu time spent up to now is 1333.1 secs Computing kpt #: 268 total cpu time spent up to now is 1338.0 secs Computing kpt #: 269 total cpu time spent up to now is 1343.1 secs Computing kpt #: 270 total cpu time spent up to now is 1347.8 secs Computing kpt #: 271 total cpu time spent up to now is 1352.5 secs Computing kpt #: 272 total cpu time spent up to now is 1357.2 secs Computing kpt #: 273 total cpu time spent up to now is 1362.0 secs Computing kpt #: 274 total cpu time spent up to now is 1366.8 secs Computing kpt #: 275 total cpu time spent up to now is 1371.6 secs Computing kpt #: 276 total cpu time spent up to now is 1376.5 secs Computing kpt #: 277 total cpu time spent up to now is 1381.3 secs Computing kpt #: 278 total cpu time spent up to now is 1386.2 secs Computing kpt #: 279 total cpu time spent up to now is 1391.1 secs Computing kpt #: 280 total cpu time spent up to now is 1396.1 secs Computing kpt #: 281 total cpu time spent up to now is 1401.0 secs Computing kpt #: 282 total cpu time spent up to now is 1405.9 secs Computing kpt #: 283 total cpu time spent up to now is 1410.9 secs Computing kpt #: 284 total cpu time spent up to now is 1415.8 secs Computing kpt #: 285 total cpu time spent up to now is 1420.8 secs Computing kpt #: 286 total cpu time spent up to now is 1425.6 secs Computing kpt #: 287 total cpu time spent up to now is 1430.4 secs Computing kpt #: 288 total cpu time spent up to now is 1435.2 secs Computing kpt #: 289 total cpu time spent up to now is 1440.0 secs Computing kpt #: 290 total cpu time spent up to now is 1444.9 secs Computing kpt #: 291 total cpu time spent up to now is 1449.6 secs Computing kpt #: 292 total cpu time spent up to now is 1454.3 secs Computing kpt #: 293 total cpu time spent up to now is 1458.9 secs Computing kpt #: 294 total cpu time spent up to now is 1463.5 secs Computing kpt #: 295 total cpu time spent up to now is 1468.1 secs Computing kpt #: 296 total cpu time spent up to now is 1472.7 secs Computing kpt #: 297 total cpu time spent up to now is 1477.3 secs Computing kpt #: 298 total cpu time spent up to now is 1481.9 secs Computing kpt #: 299 total cpu time spent up to now is 1486.4 secs Computing kpt #: 300 total cpu time spent up to now is 1490.9 secs Computing kpt #: 301 total cpu time spent up to now is 1495.5 secs Computing kpt #: 302 total cpu time spent up to now is 1500.0 secs Computing kpt #: 303 total cpu time spent up to now is 1504.6 secs Computing kpt #: 304 total cpu time spent up to now is 1509.0 secs Computing kpt #: 305 total cpu time spent up to now is 1513.5 secs Computing kpt #: 306 total cpu time spent up to now is 1517.8 secs Computing kpt #: 307 total cpu time spent up to now is 1522.2 secs ethr = 1.92E-11, avg # of iterations = 33.6 total cpu time spent up to now is 1522.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1240 -8.1240 -7.9487 -7.9487 -7.3656 -7.3656 -6.9693 -6.9693 -5.1830 -5.1830 -4.9908 -4.9908 -0.1321 -0.1321 0.2138 0.2138 0.8316 0.8316 1.2388 1.2388 1.2500 1.2500 1.3928 1.3928 1.5289 1.5289 1.6192 1.6192 1.9729 1.9729 2.3072 2.3072 2.5103 2.5103 2.7257 2.7257 2.7662 2.7662 3.4371 3.4371 3.6162 3.6162 4.0905 4.0905 4.0918 4.0918 4.1897 4.1897 5.4863 5.4863 5.6415 5.6415 6.2384 6.2384 6.3855 6.3855 6.3998 6.3998 k = 0.0192 0.0043-0.0236 ( 7826 PWs) bands (ev): -9.2477 -9.2477 -8.7796 -8.7796 -8.1253 -8.1253 -7.9485 -7.9485 -7.3643 -7.3643 -6.9707 -6.9707 -5.1829 -5.1829 -4.9889 -4.9889 -0.1338 -0.1338 0.2116 0.2116 0.8291 0.8291 1.2378 1.2378 1.2451 1.2451 1.3949 1.3949 1.5251 1.5251 1.6275 1.6275 1.9744 1.9744 2.2990 2.2990 2.5188 2.5188 2.7318 2.7318 2.7704 2.7704 3.4340 3.4340 3.6190 3.6190 4.0717 4.0717 4.1118 4.1118 4.1883 4.1883 5.4841 5.4841 5.6398 5.6398 6.2333 6.2333 6.3804 6.3804 6.3996 6.3996 k = 0.0385 0.0085-0.0472 ( 7818 PWs) bands (ev): -9.2454 -9.2454 -8.7811 -8.7811 -8.1291 -8.1291 -7.9481 -7.9481 -7.3602 -7.3602 -6.9749 -6.9749 -5.1822 -5.1822 -4.9834 -4.9834 -0.1388 -0.1388 0.2054 0.2054 0.8218 0.8218 1.2219 1.2219 1.2438 1.2438 1.4004 1.4004 1.5195 1.5195 1.6468 1.6468 1.9777 1.9777 2.2819 2.2819 2.5381 2.5381 2.7496 2.7496 2.7830 2.7830 3.4255 3.4255 3.6265 3.6265 4.0535 4.0535 4.1336 4.1336 4.1843 4.1843 5.4774 5.4774 5.6346 5.6346 6.2182 6.2182 6.3671 6.3671 6.3976 6.3976 k = 0.0577 0.0128-0.0708 ( 7814 PWs) bands (ev): -9.2415 -9.2415 -8.7837 -8.7837 -8.1352 -8.1352 -7.9476 -7.9476 -7.3537 -7.3537 -6.9817 -6.9817 -5.1811 -5.1811 -4.9745 -4.9745 -0.1475 -0.1475 0.1964 0.1964 0.8096 0.8096 1.1946 1.1946 1.2428 1.2428 1.4076 1.4076 1.5205 1.5205 1.6687 1.6687 1.9800 1.9800 2.2693 2.2693 2.5593 2.5593 2.7770 2.7770 2.8049 2.8049 3.4134 3.4134 3.6368 3.6368 4.0364 4.0364 4.1549 4.1549 4.1796 4.1796 5.4665 5.4665 5.6260 5.6260 6.1934 6.1934 6.3475 6.3475 6.3926 6.3926 k = 0.0769 0.0170-0.0944 ( 7799 PWs) bands (ev): -9.2360 -9.2360 -8.7871 -8.7871 -8.1434 -8.1434 -7.9472 -7.9472 -7.3448 -7.3448 -6.9907 -6.9907 -5.1793 -5.1793 -4.9625 -4.9625 -0.1604 -0.1604 0.1861 0.1861 0.7928 0.7928 1.1618 1.1618 1.2363 1.2363 1.4149 1.4149 1.5328 1.5328 1.6875 1.6875 1.9798 1.9798 2.2708 2.2708 2.5788 2.5788 2.8085 2.8085 2.8379 2.8379 3.3999 3.3999 3.6476 3.6476 4.0202 4.0202 4.1617 4.1617 4.1882 4.1882 5.4519 5.4519 5.6138 5.6138 6.1598 6.1598 6.3233 6.3233 6.3842 6.3842 k = 0.0962 0.0213-0.1180 ( 7806 PWs) bands (ev): -9.2291 -9.2291 -8.7914 -8.7914 -8.1534 -8.1534 -7.9472 -7.9472 -7.3339 -7.3339 -7.0017 -7.0017 -5.1766 -5.1766 -4.9480 -4.9480 -0.1776 -0.1776 0.1759 0.1759 0.7714 0.7714 1.1260 1.1260 1.2242 1.2242 1.4199 1.4199 1.5566 1.5566 1.6995 1.6995 1.9804 1.9804 2.2887 2.2887 2.5971 2.5971 2.8411 2.8411 2.8801 2.8801 3.3866 3.3866 3.6572 3.6572 4.0049 4.0049 4.1523 4.1523 4.2119 4.2119 5.4341 5.4341 5.5980 5.5980 6.1183 6.1183 6.2960 6.2960 6.3722 6.3722 k = 0.1154 0.0255-0.1416 ( 7806 PWs) bands (ev): -9.2207 -9.2207 -8.7964 -8.7964 -8.1648 -8.1648 -7.9479 -7.9479 -7.3212 -7.3212 -7.0140 -7.0140 -5.1731 -5.1731 -4.9314 -4.9314 -0.1992 -0.1992 0.1667 0.1667 0.7460 0.7460 1.0888 1.0888 1.2081 1.2081 1.4211 1.4211 1.5848 1.5848 1.7078 1.7078 1.9879 1.9879 2.3202 2.3202 2.6155 2.6155 2.8760 2.8760 2.9260 2.9260 3.3751 3.3751 3.6645 3.6645 3.9902 3.9902 4.1397 4.1397 4.2375 4.2375 5.4139 5.4139 5.5786 5.5786 6.0707 6.0707 6.2667 6.2667 6.3565 6.3565 k = 0.1346 0.0298-0.1652 ( 7804 PWs) bands (ev): -9.2109 -9.2109 -8.8020 -8.8020 -8.1774 -8.1774 -7.9497 -7.9497 -7.3072 -7.3072 -7.0273 -7.0273 -5.1686 -5.1686 -4.9133 -4.9133 -0.2245 -0.2245 0.1590 0.1590 0.7171 0.7171 1.0512 1.0512 1.1904 1.1904 1.4185 1.4185 1.5996 1.5996 1.7282 1.7282 2.0050 2.0050 2.3607 2.3607 2.6352 2.6352 2.9138 2.9138 2.9713 2.9713 3.3665 3.3665 3.6688 3.6688 3.9759 3.9759 4.1259 4.1259 4.2626 4.2626 5.3920 5.3920 5.5556 5.5556 6.0189 6.0189 6.2364 6.2364 6.3372 6.3372 k = 0.1538 0.0340-0.1888 ( 7811 PWs) bands (ev): -9.1999 -9.1999 -8.8079 -8.8079 -8.1909 -8.1909 -7.9529 -7.9529 -7.2920 -7.2920 -7.0410 -7.0410 -5.1630 -5.1630 -4.8941 -4.8941 -0.2529 -0.2529 0.1523 0.1523 0.6854 0.6854 1.0139 1.0139 1.1725 1.1725 1.4126 1.4126 1.5902 1.5902 1.7731 1.7731 2.0306 2.0306 2.4061 2.4061 2.6570 2.6570 2.9546 2.9546 3.0132 3.0132 3.3622 3.3622 3.6699 3.6699 3.9616 3.9616 4.1117 4.1117 4.2855 4.2855 5.3693 5.3693 5.5293 5.5293 5.9652 5.9652 6.2055 6.2055 6.3144 6.3144 k = 0.1731 0.0383-0.2124 ( 7801 PWs) bands (ev): -9.1876 -9.1876 -8.8142 -8.8142 -8.2049 -8.2049 -7.9578 -7.9578 -7.2761 -7.2761 -7.0544 -7.0544 -5.1564 -5.1564 -4.8744 -4.8744 -0.2834 -0.2834 0.1462 0.1462 0.6518 0.6518 0.9772 0.9772 1.1555 1.1555 1.4041 1.4041 1.5681 1.5681 1.8343 1.8343 2.0620 2.0620 2.4532 2.4532 2.6815 2.6815 2.9975 2.9975 3.0503 3.0503 3.3634 3.3634 3.6680 3.6680 3.9472 3.9472 4.0977 4.0977 4.3044 4.3044 5.3465 5.3465 5.4997 5.4997 5.9119 5.9119 6.1745 6.1745 6.2882 6.2882 k = 0.1923 0.0426-0.2360 ( 7799 PWs) bands (ev): -9.1741 -9.1741 -8.8205 -8.8205 -8.2192 -8.2192 -7.9648 -7.9648 -7.2598 -7.2598 -7.0672 -7.0672 -5.1488 -5.1488 -4.8545 -4.8545 -0.3149 -0.3149 0.1398 0.1398 0.6168 0.6168 0.9409 0.9409 1.1399 1.1399 1.3939 1.3939 1.5436 1.5436 1.9034 1.9034 2.0969 2.0969 2.4990 2.4990 2.7090 2.7090 3.0415 3.0415 3.0822 3.0822 3.3707 3.3707 3.6634 3.6634 3.9324 3.9324 4.0846 4.0846 4.3176 4.3176 5.3243 5.3243 5.4671 5.4671 5.8611 5.8611 6.1437 6.1437 6.2591 6.2591 k = 0.2115 0.0468-0.2596 ( 7804 PWs) bands (ev): -9.1598 -9.1598 -8.8267 -8.8267 -8.2335 -8.2335 -7.9740 -7.9740 -7.2434 -7.2434 -7.0788 -7.0788 -5.1402 -5.1402 -4.8349 -4.8349 -0.3465 -0.3465 0.1324 0.1324 0.5814 0.5814 0.9049 0.9049 1.1257 1.1257 1.3837 1.3837 1.5215 1.5215 1.9764 1.9764 2.1338 2.1338 2.5411 2.5411 2.7397 2.7397 3.0824 3.0824 3.1128 3.1128 3.3840 3.3840 3.6568 3.6568 3.9173 3.9173 4.0726 4.0726 4.3236 4.3236 5.3027 5.3027 5.4319 5.4319 5.8149 5.8149 6.1135 6.1135 6.2275 6.2275 k = 0.2308 0.0511-0.2832 ( 7795 PWs) bands (ev): -9.1446 -9.1446 -8.8326 -8.8326 -8.2477 -8.2477 -7.9855 -7.9855 -7.2272 -7.2272 -7.0889 -7.0889 -5.1307 -5.1307 -4.8161 -4.8161 -0.3774 -0.3774 0.1235 0.1235 0.5461 0.5461 0.8685 0.8685 1.1129 1.1129 1.3759 1.3759 1.5033 1.5033 2.0509 2.0509 2.1717 2.1717 2.5772 2.5772 2.7733 2.7733 3.1122 3.1122 3.1509 3.1509 3.4020 3.4020 3.6493 3.6493 3.9021 3.9021 4.0621 4.0621 4.3215 4.3215 5.2811 5.2811 5.3945 5.3945 5.7751 5.7751 6.0841 6.0841 6.1937 6.1937 k = 0.2500 0.0553-0.3068 ( 7790 PWs) bands (ev): -9.1289 -9.1289 -8.8380 -8.8380 -8.2614 -8.2614 -7.9994 -7.9994 -7.2114 -7.2114 -7.0973 -7.0973 -5.1204 -5.1204 -4.7982 -4.7982 -0.4071 -0.4071 0.1128 0.1128 0.5116 0.5116 0.8315 0.8315 1.1009 1.1009 1.3733 1.3733 1.4890 1.4890 2.1252 2.1252 2.2100 2.2100 2.6055 2.6055 2.8092 2.8092 3.1335 3.1335 3.1954 3.1954 3.4229 3.4229 3.6422 3.6422 3.8868 3.8868 4.0533 4.0533 4.3113 4.3113 5.2584 5.2584 5.3553 5.3553 5.7430 5.7430 6.0558 6.0558 6.1583 6.1583 k = 0.2692 0.0596-0.3304 ( 7786 PWs) bands (ev): -9.1128 -9.1128 -8.8428 -8.8428 -8.2747 -8.2747 -8.0157 -8.0157 -7.1962 -7.1962 -7.1037 -7.1037 -5.1095 -5.1095 -4.7816 -4.7816 -0.4350 -0.4350 0.1002 0.1002 0.4783 0.4783 0.7937 0.7937 1.0893 1.0893 1.3783 1.3783 1.4781 1.4781 2.1976 2.1976 2.2485 2.2485 2.6250 2.6250 2.8462 2.8462 3.1533 3.1533 3.2395 3.2395 3.4450 3.4450 3.6371 3.6371 3.8719 3.8719 4.0465 4.0465 4.2939 4.2939 5.2332 5.2332 5.3148 5.3148 5.7189 5.7189 6.0287 6.0287 6.1218 6.1218 k = 0.2885 0.0638-0.3540 ( 7788 PWs) bands (ev): -9.0967 -9.0967 -8.8467 -8.8467 -8.2872 -8.2872 -8.0340 -8.0340 -7.1819 -7.1819 -7.1083 -7.1083 -5.0980 -5.0980 -4.7665 -4.7665 -0.4609 -0.4609 0.0862 0.0862 0.4468 0.4468 0.7552 0.7552 1.0777 1.0777 1.3919 1.3919 1.4701 1.4701 2.2654 2.2654 2.2880 2.2880 2.6352 2.6352 2.8833 2.8833 3.1746 3.1746 3.2796 3.2796 3.4676 3.4676 3.6361 3.6361 3.8576 3.8576 4.0417 4.0417 4.2711 4.2711 5.2045 5.2045 5.2737 5.2737 5.7021 5.7021 6.0031 6.0031 6.0847 6.0847 k = 0.3077 0.0681-0.3776 ( 7791 PWs) bands (ev): -9.0810 -9.0810 -8.8494 -8.8494 -8.2989 -8.2989 -8.0540 -8.0540 -7.1687 -7.1687 -7.1111 -7.1111 -5.0861 -5.0861 -4.7531 -4.7531 -0.4843 -0.4843 0.0709 0.0709 0.4174 0.4174 0.7164 0.7164 1.0662 1.0662 1.4127 1.4127 1.4661 1.4661 2.3178 2.3178 2.3374 2.3374 2.6365 2.6365 2.9195 2.9195 3.1976 3.1976 3.3125 3.3125 3.4913 3.4913 3.6407 3.6407 3.8440 3.8440 4.0392 4.0392 4.2447 4.2447 5.1720 5.1720 5.2325 5.2325 5.6903 5.6903 5.9789 5.9789 6.0477 6.0477 k = 0.3269 0.0724-0.4012 ( 7801 PWs) bands (ev): -9.0660 -9.0660 -8.8509 -8.8509 -8.3095 -8.3095 -8.0754 -8.0754 -7.1566 -7.1566 -7.1122 -7.1122 -5.0741 -5.0741 -4.7415 -4.7415 -0.5052 -0.5052 0.0551 0.0551 0.3904 0.3904 0.6781 0.6781 1.0550 1.0550 1.4328 1.4328 1.4729 1.4729 2.3559 2.3559 2.3930 2.3930 2.6303 2.6303 2.9543 2.9543 3.2200 3.2200 3.3374 3.3374 3.5170 3.5170 3.6513 3.6513 3.8319 3.8319 4.0390 4.0390 4.2172 4.2172 5.1363 5.1363 5.1918 5.1918 5.6806 5.6806 5.9563 5.9563 6.0113 6.0113 k = 0.3462 0.0766-0.4248 ( 7804 PWs) bands (ev): -9.0521 -9.0521 -8.8508 -8.8508 -8.3191 -8.3191 -8.0975 -8.0975 -7.1458 -7.1458 -7.1120 -7.1120 -5.0622 -5.0622 -4.7316 -4.7316 -0.5236 -0.5236 0.0392 0.0392 0.3661 0.3661 0.6408 0.6408 1.0443 1.0443 1.4388 1.4388 1.5027 1.5027 2.3910 2.3910 2.4392 2.4392 2.6204 2.6204 2.9875 2.9875 3.2372 3.2372 3.3583 3.3583 3.5441 3.5441 3.6667 3.6667 3.8221 3.8221 4.0410 4.0410 4.1905 4.1905 5.0984 5.0984 5.1523 5.1523 5.6703 5.6703 5.9354 5.9354 5.9762 5.9762 k = 0.3654 0.0809-0.4484 ( 7808 PWs) bands (ev): -9.0398 -9.0398 -8.8492 -8.8492 -8.3275 -8.3275 -8.1199 -8.1199 -7.1363 -7.1363 -7.1106 -7.1106 -5.0506 -5.0506 -4.7235 -4.7235 -0.5394 -0.5394 0.0238 0.0238 0.3446 0.3446 0.6055 0.6055 1.0344 1.0344 1.4378 1.4378 1.5467 1.5467 2.4241 2.4241 2.4671 2.4671 2.6145 2.6145 3.0187 3.0187 3.2440 3.2440 3.3819 3.3819 3.5699 3.5699 3.6841 3.6841 3.8167 3.8167 4.0445 4.0445 4.1669 4.1669 5.0595 5.0595 5.1146 5.1146 5.6572 5.6572 5.9158 5.9158 5.9435 5.9435 k = 0.3846 0.0851-0.4720 ( 7810 PWs) bands (ev): -9.0293 -9.0293 -8.8460 -8.8460 -8.3346 -8.3346 -8.1418 -8.1418 -7.1282 -7.1282 -7.1086 -7.1086 -5.0396 -5.0396 -4.7171 -4.7171 -0.5527 -0.5527 0.0093 0.0093 0.3262 0.3262 0.5728 0.5728 1.0256 1.0256 1.4356 1.4356 1.5974 1.5974 2.4527 2.4527 2.4698 2.4698 2.6222 2.6222 3.0476 3.0476 3.2399 3.2399 3.4110 3.4110 3.5918 3.5918 3.6988 3.6988 3.8190 3.8190 4.0480 4.0480 4.1484 4.1484 5.0210 5.0210 5.0794 5.0794 5.6407 5.6407 5.8956 5.8956 5.9161 5.9161 k = 0.4038 0.0894-0.4957 ( 7796 PWs) bands (ev): -9.0207 -9.0207 -8.8417 -8.8417 -8.3404 -8.3404 -8.1624 -8.1624 -7.1213 -7.1213 -7.1062 -7.1062 -5.0296 -5.0296 -4.7121 -4.7121 -0.5635 -0.5635 -0.0036 -0.0036 0.3108 0.3108 0.5435 0.5435 1.0179 1.0179 1.4335 1.4335 1.6516 1.6516 2.4412 2.4412 2.4862 2.4862 2.6412 2.6412 3.0738 3.0738 3.2285 3.2285 3.4437 3.4437 3.6082 3.6082 3.7068 3.7068 3.8311 3.8311 4.0487 4.0487 4.1376 4.1376 4.9843 4.9843 5.0474 5.0474 5.6214 5.6214 5.8721 5.8721 5.8976 5.8976 k = 0.4231 0.0936-0.5193 ( 7798 PWs) bands (ev): -9.0142 -9.0142 -8.8367 -8.8367 -8.3448 -8.3448 -8.1811 -8.1811 -7.1155 -7.1155 -7.1040 -7.1040 -5.0208 -5.0208 -4.7085 -4.7085 -0.5722 -0.5722 -0.0147 -0.0147 0.2984 0.2984 0.5183 0.5183 1.0116 1.0116 1.4316 1.4316 1.7067 1.7067 2.4056 2.4056 2.5110 2.5110 2.6621 2.6621 3.0969 3.0969 3.2141 3.2141 3.4763 3.4763 3.6195 3.6195 3.7079 3.7079 3.8509 3.8509 4.0446 4.0446 4.1356 4.1356 4.9510 4.9510 5.0194 5.0194 5.6011 5.6011 5.8487 5.8487 5.8856 5.8856 k = 0.4423 0.0979-0.5429 ( 7790 PWs) bands (ev): -9.0094 -9.0094 -8.8317 -8.8317 -8.3480 -8.3480 -8.1969 -8.1969 -7.1109 -7.1109 -7.1022 -7.1022 -5.0135 -5.0135 -4.7060 -4.7060 -0.5787 -0.5787 -0.0237 -0.0237 0.2890 0.2890 0.4978 0.4978 1.0066 1.0066 1.4301 1.4301 1.7596 1.7596 2.3652 2.3652 2.5323 2.5323 2.6798 2.6798 3.1164 3.1164 3.1994 3.1994 3.5058 3.5058 3.6270 3.6270 3.7046 3.7046 3.8734 3.8734 4.0365 4.0365 4.1402 4.1402 4.9227 4.9227 4.9963 4.9963 5.5821 5.5821 5.8287 5.8287 5.8773 5.8773 k = 0.4615 0.1021-0.5665 ( 7797 PWs) bands (ev): -9.0062 -9.0062 -8.8274 -8.8274 -8.3501 -8.3501 -8.2090 -8.2090 -7.1072 -7.1072 -7.1011 -7.1011 -5.0081 -5.0081 -4.7044 -4.7044 -0.5832 -0.5832 -0.0302 -0.0302 0.2825 0.2825 0.4827 0.4827 1.0030 1.0030 1.4291 1.4291 1.8056 1.8056 2.3271 2.3271 2.5486 2.5486 2.6926 2.6926 3.1321 3.1321 3.1863 3.1863 3.5291 3.5291 3.6328 3.6328 3.6990 3.6990 3.8940 3.8940 4.0272 4.0272 4.1470 4.1470 4.9010 4.9010 4.9789 4.9789 5.5665 5.5665 5.8137 5.8137 5.8716 5.8716 k = 0.4808 0.1064-0.5901 ( 7786 PWs) bands (ev): -9.0044 -9.0044 -8.8246 -8.8246 -8.3512 -8.3512 -8.2167 -8.2167 -7.1045 -7.1045 -7.1009 -7.1009 -5.0048 -5.0048 -4.7035 -4.7035 -0.5859 -0.5859 -0.0343 -0.0343 0.2786 0.2786 0.4734 0.4734 1.0008 1.0008 1.4285 1.4285 1.8384 1.8384 2.2989 2.2989 2.5590 2.5590 2.7002 2.7002 3.1437 3.1437 3.1760 3.1760 3.5439 3.5439 3.6379 3.6379 3.6933 3.6933 3.9089 3.9089 4.0195 4.0195 4.1525 4.1525 4.8872 4.8872 4.9681 4.9681 5.5564 5.5564 5.8044 5.8044 5.8683 5.8683 k = 0.5000 0.1107-0.6137 ( 7788 PWs) bands (ev): -9.0038 -9.0038 -8.8236 -8.8236 -8.3515 -8.3515 -8.2193 -8.2193 -7.1034 -7.1034 -7.1010 -7.1010 -5.0037 -5.0037 -4.7032 -4.7032 -0.5868 -0.5868 -0.0356 -0.0356 0.2774 0.2774 0.4703 0.4703 1.0001 1.0001 1.4283 1.4283 1.8505 1.8505 2.2882 2.2882 2.5625 2.5625 2.7027 2.7027 3.1488 3.1488 3.1713 3.1713 3.5488 3.5488 3.6403 3.6403 3.6906 3.6906 3.9145 3.9145 4.0164 4.0164 4.1546 4.1546 4.8825 4.8825 4.9644 4.9644 5.5529 5.5529 5.8012 5.8012 5.8673 5.8673 k = 0.5000 0.1107-0.6137 ( 7788 PWs) bands (ev): -9.0038 -9.0038 -8.8236 -8.8236 -8.3515 -8.3515 -8.2193 -8.2193 -7.1034 -7.1034 -7.1010 -7.1010 -5.0037 -5.0037 -4.7032 -4.7032 -0.5868 -0.5868 -0.0356 -0.0356 0.2774 0.2774 0.4703 0.4703 1.0001 1.0001 1.4283 1.4283 1.8505 1.8505 2.2882 2.2882 2.5625 2.5625 2.7027 2.7027 3.1488 3.1488 3.1713 3.1713 3.5488 3.5488 3.6403 3.6403 3.6906 3.6906 3.9145 3.9145 4.0164 4.0164 4.1546 4.1546 4.8825 4.8825 4.9644 4.9644 5.5529 5.5529 5.8012 5.8012 5.8673 5.8673 k = 0.5184 0.1147-0.5980 ( 7794 PWs) bands (ev): -9.0047 -9.0047 -8.8230 -8.8230 -8.3515 -8.3515 -8.2184 -8.2184 -7.1113 -7.1113 -7.0935 -7.0935 -5.0040 -5.0040 -4.7037 -4.7037 -0.5860 -0.5860 -0.0343 -0.0343 0.2780 0.2780 0.4712 0.4712 1.0003 1.0003 1.4282 1.4282 1.8497 1.8497 2.2839 2.2839 2.5648 2.5648 2.7020 2.7020 3.1377 3.1377 3.1811 3.1811 3.5458 3.5458 3.6397 3.6397 3.6899 3.6899 3.9112 3.9112 4.0201 4.0201 4.1545 4.1545 4.8826 4.8826 4.9670 4.9670 5.5553 5.5553 5.8016 5.8016 5.8687 5.8687 k = 0.5184 0.1147-0.5980 ( 7794 PWs) bands (ev): -9.0047 -9.0047 -8.8230 -8.8230 -8.3515 -8.3515 -8.2184 -8.2184 -7.1113 -7.1113 -7.0935 -7.0935 -5.0040 -5.0040 -4.7037 -4.7037 -0.5860 -0.5860 -0.0343 -0.0343 0.2780 0.2780 0.4712 0.4712 1.0003 1.0003 1.4282 1.4282 1.8497 1.8497 2.2839 2.2839 2.5648 2.5648 2.7020 2.7020 3.1377 3.1377 3.1811 3.1811 3.5458 3.5458 3.6397 3.6397 3.6899 3.6899 3.9112 3.9112 4.0201 4.0201 4.1545 4.1545 4.8826 4.8826 4.9670 4.9670 5.5553 5.5553 5.8016 5.8016 5.8687 5.8687 k = 0.5174 0.1145-0.5673 ( 7795 PWs) bands (ev): -9.0067 -9.0067 -8.8248 -8.8248 -8.3484 -8.3484 -8.2152 -8.2152 -7.1192 -7.1192 -7.0861 -7.0861 -5.0066 -5.0066 -4.7058 -4.7058 -0.5869 -0.5869 -0.0325 -0.0325 0.2829 0.2829 0.4773 0.4773 1.0020 1.0020 1.4298 1.4298 1.8503 1.8503 2.2766 2.2766 2.5636 2.5636 2.7029 2.7029 3.1138 3.1138 3.1953 3.1953 3.5340 3.5340 3.6352 3.6352 3.6919 3.6919 3.8962 3.8962 4.0311 4.0311 4.1542 4.1542 4.8919 4.8919 4.9819 4.9819 5.5552 5.5552 5.8059 5.8059 5.8758 5.8758 k = 0.5165 0.1143-0.5366 ( 7790 PWs) bands (ev): -9.0101 -9.0101 -8.8292 -8.8292 -8.3426 -8.3426 -8.2082 -8.2082 -7.1274 -7.1274 -7.0792 -7.0792 -5.0120 -5.0120 -4.7098 -4.7098 -0.5885 -0.5885 -0.0291 -0.0291 0.2923 0.2923 0.4902 0.4902 1.0055 1.0055 1.4329 1.4329 1.8433 1.8433 2.2737 2.2737 2.5574 2.5574 2.7034 2.7034 3.0856 3.0856 3.2057 3.2057 3.5120 3.5120 3.6261 3.6261 3.6962 3.6962 3.8733 3.8733 4.0444 4.0444 4.1550 4.1550 4.9122 4.9122 5.0090 5.0090 5.5557 5.5557 5.8159 5.8159 5.8889 5.8889 k = 0.5156 0.1141-0.5059 ( 7794 PWs) bands (ev): -9.0148 -9.0148 -8.8358 -8.8358 -8.3343 -8.3343 -8.1975 -8.1975 -7.1358 -7.1358 -7.0731 -7.0731 -5.0200 -5.0200 -4.7154 -4.7154 -0.5908 -0.5908 -0.0243 -0.0243 0.3064 0.3064 0.5098 0.5098 1.0108 1.0108 1.4375 1.4375 1.8294 1.8294 2.2742 2.2742 2.5463 2.5463 2.7036 2.7036 3.0545 3.0545 3.2105 3.2105 3.4826 3.4826 3.6122 3.6122 3.6988 3.6988 3.8493 3.8493 4.0542 4.0542 4.1613 4.1613 4.9419 4.9419 5.0457 5.0457 5.5570 5.5570 5.8313 5.8313 5.9076 5.9076 k = 0.5147 0.1139-0.4752 ( 7792 PWs) bands (ev): -9.0206 -9.0206 -8.8444 -8.8444 -8.3238 -8.3238 -8.1835 -8.1835 -7.1441 -7.1441 -7.0678 -7.0678 -5.0304 -5.0304 -4.7227 -4.7227 -0.5936 -0.5936 -0.0183 -0.0183 0.3248 0.3248 0.5358 0.5358 1.0178 1.0178 1.4436 1.4436 1.8101 1.8101 2.2764 2.2764 2.5308 2.5308 2.7035 2.7035 3.0213 3.0213 3.2079 3.2079 3.4485 3.4485 3.5924 3.5924 3.6957 3.6957 3.8318 3.8318 4.0584 4.0584 4.1757 4.1757 4.9794 4.9794 5.0895 5.0895 5.5591 5.5591 5.8517 5.8517 5.9315 5.9315 k = 0.5138 0.1137-0.4446 ( 7797 PWs) bands (ev): -9.0273 -9.0273 -8.8544 -8.8544 -8.3114 -8.3114 -8.1667 -8.1667 -7.1523 -7.1523 -7.0634 -7.0634 -5.0429 -5.0429 -4.7314 -4.7314 -0.5968 -0.5968 -0.0112 -0.0112 0.3473 0.3473 0.5677 0.5677 1.0266 1.0266 1.4511 1.4511 1.7868 1.7868 2.2786 2.2786 2.5115 2.5115 2.7033 2.7033 2.9865 2.9865 3.1961 3.1961 3.4122 3.4122 3.5655 3.5655 3.6858 3.6858 3.8256 3.8256 4.0591 4.0591 4.1968 4.1968 5.0225 5.0225 5.1380 5.1380 5.5619 5.5619 5.8768 5.8768 5.9600 5.9600 k = 0.5128 0.1135-0.4139 ( 7800 PWs) bands (ev): -9.0347 -9.0347 -8.8655 -8.8655 -8.2976 -8.2976 -8.1477 -8.1477 -7.1601 -7.1601 -7.0602 -7.0602 -5.0571 -5.0571 -4.7414 -4.7414 -0.6004 -0.6004 -0.0034 -0.0034 0.3739 0.3739 0.6052 0.6052 1.0371 1.0371 1.4600 1.4600 1.7610 1.7610 2.2790 2.2790 2.4886 2.4886 2.7032 2.7032 2.9509 2.9509 3.1736 3.1736 3.3754 3.3754 3.5304 3.5304 3.6744 3.6744 3.8289 3.8289 4.0598 4.0598 4.2218 4.2218 5.0695 5.0695 5.1890 5.1890 5.5655 5.5655 5.9059 5.9059 5.9927 5.9927 k = 0.5119 0.1133-0.3832 ( 7792 PWs) bands (ev): -9.0426 -9.0426 -8.8772 -8.8772 -8.2828 -8.2828 -8.1268 -8.1268 -7.1674 -7.1674 -7.0582 -7.0582 -5.0727 -5.0727 -4.7525 -4.7525 -0.6041 -0.6041 0.0049 0.0049 0.4041 0.4041 0.6477 0.6477 1.0493 1.0493 1.4702 1.4702 1.7338 1.7338 2.2767 2.2767 2.4623 2.4623 2.7035 2.7035 2.9150 2.9150 3.1403 3.1403 3.3386 3.3386 3.4880 3.4880 3.6680 3.6680 3.8367 3.8367 4.0630 4.0630 4.2484 4.2484 5.1187 5.1187 5.2407 5.2407 5.5699 5.5699 5.9385 5.9385 6.0286 6.0286 k = 0.5110 0.1131-0.3525 ( 7803 PWs) bands (ev): -9.0508 -9.0508 -8.8892 -8.8892 -8.2672 -8.2672 -8.1047 -8.1047 -7.1740 -7.1740 -7.0575 -7.0575 -5.0891 -5.0891 -4.7645 -4.7645 -0.6079 -0.6079 0.0134 0.0134 0.4376 0.4376 0.6943 0.6943 1.0632 1.0632 1.4816 1.4816 1.7061 1.7061 2.2711 2.2711 2.4328 2.4328 2.7035 2.7035 2.8796 2.8796 3.0979 3.0979 3.3019 3.3019 3.4411 3.4411 3.6688 3.6688 3.8454 3.8454 4.0698 4.0698 4.2752 4.2752 5.1687 5.1687 5.2918 5.2918 5.5754 5.5754 5.9740 5.9740 6.0668 6.0668 k = 0.5101 0.1129-0.3218 ( 7805 PWs) bands (ev): -9.0590 -9.0590 -8.9011 -8.9011 -8.2512 -8.2512 -8.0820 -8.0820 -7.1798 -7.1798 -7.0583 -7.0583 -5.1060 -5.1060 -4.7772 -4.7772 -0.6116 -0.6116 0.0219 0.0219 0.4740 0.4740 0.7444 0.7444 1.0789 1.0789 1.4940 1.4940 1.6786 1.6786 2.2623 2.2623 2.4003 2.4003 2.7020 2.7020 2.8455 2.8455 3.0492 3.0492 3.2654 3.2654 3.3926 3.3926 3.6761 3.6761 3.8529 3.8529 4.0807 4.0807 4.3012 4.3012 5.2183 5.2183 5.3407 5.3407 5.5822 5.5822 6.0116 6.0116 6.1064 6.1064 k = 0.5092 0.1127-0.2911 ( 7804 PWs) bands (ev): -9.0670 -9.0670 -8.9126 -8.9126 -8.2352 -8.2352 -8.0591 -8.0591 -7.1845 -7.1845 -7.0604 -7.0604 -5.1229 -5.1229 -4.7902 -4.7902 -0.6152 -0.6152 0.0301 0.0301 0.5127 0.5127 0.7969 0.7969 1.0965 1.0965 1.5072 1.5072 1.6518 1.6518 2.2503 2.2503 2.3656 2.3656 2.6968 2.6968 2.8136 2.8136 2.9978 2.9978 3.2296 3.2296 3.3447 3.3447 3.6881 3.6881 3.8585 3.8585 4.0953 4.0953 4.3259 4.3259 5.2661 5.2661 5.3865 5.3865 5.5907 5.5907 6.0505 6.0505 6.1463 6.1463 k = 0.5083 0.1125-0.2605 ( 7798 PWs) bands (ev): -9.0748 -9.0748 -8.9237 -8.9237 -8.2195 -8.2195 -8.0367 -8.0367 -7.1880 -7.1880 -7.0640 -7.0640 -5.1395 -5.1395 -4.8033 -4.8033 -0.6186 -0.6186 0.0378 0.0378 0.5530 0.5530 0.8506 0.8506 1.1161 1.1161 1.5205 1.5205 1.6266 1.6266 2.2349 2.2349 2.3301 2.3301 2.6848 2.6848 2.7838 2.7838 2.9489 2.9489 3.1954 3.1954 3.2988 3.2988 3.7032 3.7032 3.8622 3.8622 4.1128 4.1128 4.3488 4.3488 5.3111 5.3111 5.4281 5.4281 5.6013 5.6013 6.0897 6.0897 6.1851 6.1851 k = 0.5073 0.1123-0.2298 ( 7799 PWs) bands (ev): -9.0821 -9.0821 -8.9339 -8.9339 -8.2044 -8.2044 -8.0151 -8.0151 -7.1901 -7.1901 -7.0691 -7.0691 -5.1553 -5.1553 -4.8162 -4.8162 -0.6217 -0.6217 0.0449 0.0449 0.5942 0.5942 0.9040 0.9040 1.1382 1.1382 1.5318 1.5318 1.6053 1.6053 2.2140 2.2140 2.2973 2.2973 2.6649 2.6649 2.7519 2.7519 2.9092 2.9092 3.1637 3.1637 3.2558 3.2558 3.7197 3.7197 3.8644 3.8644 4.1321 4.1321 4.3696 4.3696 5.3519 5.3519 5.4650 5.4650 5.6144 5.6144 6.1278 6.1278 6.2190 6.2190 k = 0.5064 0.1121-0.1991 ( 7797 PWs) bands (ev): -9.0889 -9.0889 -8.9433 -8.9433 -8.1901 -8.1901 -7.9949 -7.9949 -7.1907 -7.1907 -7.0755 -7.0755 -5.1700 -5.1700 -4.8285 -4.8285 -0.6245 -0.6245 0.0513 0.0513 0.6353 0.6353 0.9551 0.9551 1.1633 1.1633 1.5344 1.5344 1.5949 1.5949 2.1840 2.1840 2.2723 2.2723 2.6391 2.6391 2.7118 2.7118 2.8848 2.8848 3.1352 3.1352 3.2162 3.2162 3.7364 3.7364 3.8653 3.8653 4.1523 4.1523 4.3881 4.3881 5.3871 5.3871 5.4971 5.4971 5.6301 5.6301 6.1616 6.1616 6.2277 6.2277 k = 0.5055 0.1119-0.1684 ( 7808 PWs) bands (ev): -9.0949 -9.0949 -8.9517 -8.9517 -8.1770 -8.1770 -7.9765 -7.9765 -7.1897 -7.1897 -7.0832 -7.0832 -5.1834 -5.1834 -4.8399 -4.8399 -0.6270 -0.6270 0.0568 0.0568 0.6752 0.6752 1.0018 1.0018 1.1918 1.1918 1.5217 1.5217 1.6022 1.6022 2.1437 2.1437 2.2576 2.2576 2.6102 2.6102 2.6635 2.6635 2.8746 2.8746 3.1106 3.1106 3.1803 3.1803 3.7525 3.7525 3.8655 3.8655 4.1724 4.1724 4.4040 4.4040 5.4158 5.4158 5.5251 5.5251 5.6476 5.6476 6.1820 6.1820 6.2333 6.2333 k = 0.5046 0.1117-0.1377 ( 7817 PWs) bands (ev): -9.1002 -9.1002 -8.9589 -8.9589 -8.1654 -8.1654 -7.9604 -7.9604 -7.1869 -7.1869 -7.0920 -7.0920 -5.1951 -5.1951 -4.8501 -4.8501 -0.6291 -0.6291 0.0615 0.0615 0.7127 0.7127 1.0424 1.0424 1.2234 1.2234 1.5008 1.5008 1.6212 1.6212 2.0961 2.0961 2.2517 2.2517 2.5790 2.5790 2.6139 2.6139 2.8732 2.8732 3.0901 3.0901 3.1484 3.1484 3.7671 3.7671 3.8651 3.8651 4.1914 4.1914 4.4174 4.4174 5.4374 5.4374 5.5501 5.5501 5.6655 5.6655 6.1830 6.1830 6.2554 6.2554 k = 0.5037 0.1115-0.1070 ( 7822 PWs) bands (ev): -9.1047 -9.1047 -8.9649 -8.9649 -8.1555 -8.1555 -7.9467 -7.9467 -7.1826 -7.1826 -7.1016 -7.1016 -5.2050 -5.2050 -4.8589 -4.8589 -0.6308 -0.6308 0.0652 0.0652 0.7464 0.7464 1.0759 1.0759 1.2564 1.2564 1.4777 1.4777 1.6470 1.6470 2.0440 2.0440 2.2527 2.2527 2.5407 2.5407 2.5741 2.5741 2.8759 2.8759 3.0740 3.0740 3.1207 3.1207 3.7798 3.7798 3.8644 3.8644 4.2084 4.2084 4.4282 4.4282 5.4526 5.4526 5.5720 5.5720 5.6821 5.6821 6.1771 6.1771 6.2820 6.2820 k = 0.5028 0.1113-0.0764 ( 7811 PWs) bands (ev): -9.1082 -9.1082 -8.9696 -8.9696 -8.1475 -8.1475 -7.9358 -7.9358 -7.1769 -7.1769 -7.1116 -7.1116 -5.2129 -5.2129 -4.8660 -4.8660 -0.6321 -0.6321 0.0682 0.0682 0.7748 0.7748 1.1024 1.1024 1.2881 1.2881 1.4552 1.4552 1.6787 1.6787 1.9896 1.9896 2.2596 2.2596 2.4958 2.4958 2.5486 2.5486 2.8803 2.8803 3.0623 3.0623 3.0975 3.0975 3.7901 3.7901 3.8636 3.8636 4.2228 4.2228 4.4363 4.4363 5.4627 5.4627 5.5903 5.5903 5.6962 5.6962 6.1709 6.1709 6.3060 6.3060 k = 0.5018 0.1111-0.0457 ( 7817 PWs) bands (ev): -9.1107 -9.1107 -8.9730 -8.9730 -8.1417 -8.1417 -7.9279 -7.9279 -7.1701 -7.1701 -7.1215 -7.1215 -5.2185 -5.2185 -4.8713 -4.8713 -0.6331 -0.6331 0.0702 0.0702 0.7963 0.7963 1.1219 1.1219 1.3153 1.3153 1.4349 1.4349 1.7158 1.7158 1.9349 1.9349 2.2709 2.2709 2.4542 2.4542 2.5317 2.5317 2.8845 2.8845 3.0551 3.0551 3.0792 3.0792 3.7977 3.7977 3.8628 3.8628 4.2336 4.2336 4.4421 4.4421 5.4689 5.4689 5.6043 5.6043 5.7068 5.7068 6.1659 6.1659 6.3248 6.3248 k = 0.5009 0.1109-0.0150 ( 7815 PWs) bands (ev): -9.1122 -9.1122 -8.9751 -8.9751 -8.1381 -8.1381 -7.9231 -7.9231 -7.1635 -7.1635 -7.1301 -7.1301 -5.2220 -5.2220 -4.8745 -4.8745 -0.6336 -0.6336 0.0715 0.0715 0.8099 0.8099 1.1342 1.1342 1.3346 1.3346 1.4194 1.4194 1.7559 1.7559 1.8837 1.8837 2.2831 2.2831 2.4230 2.4230 2.5216 2.5216 2.8876 2.8876 3.0524 3.0524 3.0662 3.0662 3.8024 3.8024 3.8623 3.8623 4.2404 4.2404 4.4454 4.4454 5.4722 5.4722 5.6130 5.6130 5.7133 5.7133 6.1627 6.1627 6.3369 6.3369 k = 0.5000 0.1107 0.0157 ( 7810 PWs) bands (ev): -9.1128 -9.1128 -8.9758 -8.9758 -8.1369 -8.1369 -7.9215 -7.9215 -7.1602 -7.1602 -7.1341 -7.1341 -5.2232 -5.2232 -4.8756 -4.8756 -0.6338 -0.6338 0.0719 0.0719 0.8145 0.8145 1.1384 1.1384 1.3422 1.3422 1.4131 1.4131 1.7815 1.7815 1.8543 1.8543 2.2890 2.2890 2.4107 2.4107 2.5182 2.5182 2.8887 2.8887 3.0527 3.0527 3.0607 3.0607 3.8040 3.8040 3.8621 3.8621 4.2427 4.2427 4.4465 4.4465 5.4732 5.4732 5.6159 5.6159 5.7155 5.7155 6.1617 6.1617 6.3412 6.3412 k = 0.5000 0.1107 0.0157 ( 7810 PWs) bands (ev): -9.1128 -9.1128 -8.9758 -8.9758 -8.1369 -8.1369 -7.9215 -7.9215 -7.1602 -7.1602 -7.1341 -7.1341 -5.2232 -5.2232 -4.8756 -4.8756 -0.6338 -0.6338 0.0719 0.0719 0.8145 0.8145 1.1384 1.1384 1.3422 1.3422 1.4131 1.4131 1.7815 1.7815 1.8543 1.8543 2.2890 2.2890 2.4107 2.4107 2.5182 2.5182 2.8887 2.8887 3.0527 3.0527 3.0607 3.0607 3.8040 3.8040 3.8621 3.8621 4.2427 4.2427 4.4465 4.4465 5.4732 5.4732 5.6159 5.6159 5.7155 5.7155 6.1617 6.1617 6.3412 6.3412 k = 0.5066 0.0810 0.0157 ( 7808 PWs) bands (ev): -9.1117 -9.1117 -8.9749 -8.9749 -8.1366 -8.1366 -7.9210 -7.9210 -7.1595 -7.1595 -7.1337 -7.1337 -5.2242 -5.2242 -4.8764 -4.8764 -0.6329 -0.6329 0.0719 0.0719 0.7998 0.7998 1.1300 1.1300 1.3245 1.3245 1.4226 1.4226 1.7634 1.7634 1.8859 1.8859 2.2926 2.2926 2.4141 2.4141 2.5210 2.5210 2.8888 2.8888 3.0322 3.0322 3.0830 3.0830 3.7990 3.7990 3.8616 3.8616 4.2395 4.2395 4.4473 4.4473 5.4739 5.4739 5.6157 5.6157 5.7176 5.7176 6.1617 6.1617 6.3358 6.3358 k = 0.5131 0.0513 0.0157 ( 7806 PWs) bands (ev): -9.1086 -9.1086 -8.9725 -8.9725 -8.1356 -8.1356 -7.9196 -7.9196 -7.1574 -7.1574 -7.1325 -7.1325 -5.2274 -5.2274 -4.8787 -4.8787 -0.6302 -0.6302 0.0721 0.0721 0.7588 0.7588 1.1044 1.1044 1.2860 1.2860 1.4341 1.4341 1.7481 1.7481 1.9412 1.9412 2.3035 2.3035 2.4247 2.4247 2.5290 2.5290 2.8891 2.8891 3.0103 3.0103 3.1101 3.1101 3.7851 3.7851 3.8592 3.8592 4.2306 4.2306 4.4492 4.4492 5.4760 5.4760 5.6150 5.6150 5.7235 5.7235 6.1619 6.1619 6.3210 6.3210 k = 0.5197 0.0216 0.0157 ( 7806 PWs) bands (ev): -9.1033 -9.1033 -8.9684 -8.9684 -8.1340 -8.1340 -7.9173 -7.9173 -7.1541 -7.1541 -7.1305 -7.1305 -5.2327 -5.2327 -4.8827 -4.8827 -0.6257 -0.6257 0.0724 0.0724 0.6976 0.6976 1.0609 1.0609 1.2382 1.2382 1.4336 1.4336 1.7546 1.7546 1.9967 1.9967 2.3217 2.3217 2.4437 2.4437 2.5422 2.5422 2.8898 2.8898 2.9911 2.9911 3.1384 3.1384 3.7641 3.7641 3.8531 3.8531 4.2177 4.2177 4.4508 4.4508 5.4793 5.4793 5.6134 5.6134 5.7326 5.7326 6.1621 6.1621 6.2995 6.2995 k = 0.5263-0.0081 0.0157 ( 7800 PWs) bands (ev): -9.0960 -9.0960 -8.9626 -8.9626 -8.1317 -8.1317 -7.9140 -7.9140 -7.1493 -7.1493 -7.1277 -7.1277 -5.2401 -5.2401 -4.8884 -4.8884 -0.6193 -0.6193 0.0726 0.0726 0.6229 0.6229 1.0003 1.0003 1.1853 1.1853 1.4200 1.4200 1.7792 1.7792 2.0455 2.0455 2.3461 2.3461 2.4716 2.4716 2.5604 2.5604 2.8910 2.8910 2.9755 2.9755 3.1675 3.1675 3.7375 3.7375 3.8421 3.8421 4.2030 4.2030 4.4508 4.4508 5.4833 5.4833 5.6107 5.6107 5.7433 5.7433 6.1619 6.1619 6.2736 6.2736 k = 0.5329-0.0378 0.0157 ( 7794 PWs) bands (ev): -9.0866 -9.0866 -8.9553 -8.9553 -8.1289 -8.1289 -7.9098 -7.9098 -7.1433 -7.1433 -7.1242 -7.1242 -5.2498 -5.2498 -4.8957 -4.8957 -0.6112 -0.6112 0.0726 0.0726 0.5400 0.5400 0.9261 0.9261 1.1289 1.1289 1.3967 1.3967 1.8124 1.8124 2.0851 2.0851 2.3751 2.3751 2.5056 2.5056 2.5846 2.5846 2.8932 2.8932 2.9647 2.9647 3.1970 3.1970 3.7064 3.7064 3.8259 3.8259 4.1881 4.1881 4.4482 4.4482 5.4875 5.4875 5.6066 5.6066 5.7536 5.7536 6.1609 6.1609 6.2462 6.2462 k = 0.5394-0.0675 0.0157 ( 7798 PWs) bands (ev): -9.0752 -9.0752 -8.9464 -8.9464 -8.1254 -8.1254 -7.9047 -7.9047 -7.1359 -7.1359 -7.1199 -7.1199 -5.2617 -5.2617 -4.9048 -4.9048 -0.6013 -0.6013 0.0721 0.0721 0.4527 0.4527 0.8426 0.8426 1.0690 1.0690 1.3665 1.3665 1.8471 1.8471 2.1164 2.1164 2.4070 2.4070 2.5396 2.5396 2.6160 2.6160 2.8969 2.8969 2.9608 2.9608 3.2264 3.2264 3.6719 3.6719 3.8050 3.8050 4.1740 4.1740 4.4420 4.4420 5.4911 5.4911 5.6013 5.6013 5.7608 5.7608 6.1578 6.1578 6.2212 6.2212 k = 0.5460-0.0972 0.0157 ( 7794 PWs) bands (ev): -9.0618 -9.0618 -8.9360 -8.9360 -8.1213 -8.1213 -7.8988 -7.8988 -7.1272 -7.1272 -7.1149 -7.1149 -5.2759 -5.2759 -4.9157 -4.9157 -0.5897 -0.5897 0.0706 0.0706 0.3638 0.3638 0.7539 0.7539 1.0054 1.0054 1.3307 1.3307 1.8797 1.8797 2.1410 2.1410 2.4403 2.4403 2.5684 2.5684 2.6517 2.6517 2.9025 2.9025 2.9670 2.9670 3.2547 3.2547 3.6350 3.6350 3.7807 3.7807 4.1610 4.1610 4.4319 4.4319 5.4927 5.4927 5.5953 5.5953 5.7623 5.7623 6.1509 6.1509 6.2031 6.2031 k = 0.5526-0.1268 0.0157 ( 7800 PWs) bands (ev): -9.0464 -9.0464 -8.9241 -8.9241 -8.1167 -8.1167 -7.8920 -7.8920 -7.1173 -7.1173 -7.1091 -7.1091 -5.2924 -5.2924 -4.9285 -4.9285 -0.5764 -0.5764 0.0671 0.0671 0.2761 0.2761 0.6628 0.6628 0.9380 0.9380 1.2902 1.2902 1.9089 1.9089 2.1607 2.1607 2.4734 2.4734 2.5918 2.5918 2.6835 2.6835 2.9102 2.9102 2.9869 2.9869 3.2805 3.2805 3.5974 3.5974 3.7548 3.7548 4.1489 4.1489 4.4177 4.4177 5.4908 5.4908 5.5900 5.5900 5.7555 5.7555 6.1408 6.1408 6.1939 6.1939 k = 0.5591-0.1565 0.0157 ( 7802 PWs) bands (ev): -9.0290 -9.0290 -8.9107 -8.9107 -8.1115 -8.1115 -7.8843 -7.8843 -7.1063 -7.1063 -7.1023 -7.1023 -5.3114 -5.3114 -4.9432 -4.9432 -0.5615 -0.5615 0.0584 0.0584 0.1938 0.1938 0.5716 0.5716 0.8672 0.8672 1.2459 1.2459 1.9346 1.9346 2.1767 2.1767 2.5042 2.5042 2.6113 2.6113 2.7046 2.7046 2.9203 2.9203 3.0213 3.0213 3.3013 3.3013 3.5611 3.5611 3.7299 3.7299 4.1370 4.1370 4.3993 4.3993 5.4838 5.4838 5.5866 5.5866 5.7399 5.7399 6.1318 6.1318 6.1908 6.1908 k = 0.5657-0.1862 0.0157 ( 7804 PWs) bands (ev): -9.0098 -9.0098 -8.8960 -8.8960 -8.1057 -8.1057 -7.8758 -7.8758 -7.0966 -7.0966 -7.0925 -7.0925 -5.3328 -5.3328 -4.9599 -4.9599 -0.5450 -0.5450 0.0334 0.0334 0.1285 0.1285 0.4820 0.4820 0.7936 0.7936 1.1984 1.1984 1.9576 1.9576 2.1898 2.1898 2.5308 2.5308 2.6276 2.6276 2.7141 2.7141 2.9333 2.9333 3.0663 3.0663 3.3138 3.3138 3.5288 3.5288 3.7089 3.7089 4.1244 4.1244 4.3770 4.3770 5.4714 5.4714 5.5855 5.5855 5.7174 5.7174 6.1266 6.1266 6.1903 6.1903 k = 0.5723-0.2159 0.0157 ( 7808 PWs) bands (ev): -8.9887 -8.9887 -8.8799 -8.8799 -8.0994 -8.0994 -7.8665 -7.8665 -7.0887 -7.0887 -7.0790 -7.0790 -5.3567 -5.3567 -4.9788 -4.9788 -0.5271 -0.5271 -0.0229 -0.0229 0.0956 0.0956 0.3952 0.3952 0.7176 0.7176 1.1487 1.1487 1.9784 1.9784 2.2005 2.2005 2.5509 2.5509 2.6415 2.6415 2.7150 2.7150 2.9486 2.9486 3.1148 3.1148 3.3159 3.3159 3.5026 3.5026 3.6945 3.6945 4.1101 4.1101 4.3512 4.3512 5.4547 5.4547 5.5849 5.5849 5.6927 5.6927 6.1248 6.1248 6.1906 6.1906 k = 0.5788-0.2456 0.0157 ( 7808 PWs) bands (ev): -8.9658 -8.9658 -8.8625 -8.8625 -8.0927 -8.0927 -7.8565 -7.8565 -7.0804 -7.0804 -7.0641 -7.0641 -5.3832 -5.3832 -4.9999 -4.9999 -0.5077 -0.5077 -0.0954 -0.0954 0.0798 0.0798 0.3127 0.3127 0.6399 0.6399 1.0976 1.0976 1.9976 1.9976 2.2090 2.2090 2.5626 2.5626 2.6540 2.6540 2.7110 2.7110 2.9643 2.9643 3.1585 3.1585 3.3106 3.3106 3.4826 3.4826 3.6885 3.6885 4.0934 4.0934 4.3222 4.3222 5.4353 5.4353 5.5811 5.5811 5.6727 5.6727 6.1248 6.1248 6.1903 6.1903 k = 0.5854-0.2753 0.0157 ( 7806 PWs) bands (ev): -8.9412 -8.9412 -8.8440 -8.8440 -8.0854 -8.0854 -7.8458 -7.8458 -7.0718 -7.0718 -7.0478 -7.0478 -5.4123 -5.4123 -5.0233 -5.0233 -0.4871 -0.4871 -0.1697 -0.1697 0.0656 0.0656 0.2365 0.2365 0.5612 0.5612 1.0460 1.0460 2.0154 2.0154 2.2152 2.2152 2.5641 2.5641 2.6655 2.6655 2.7060 2.7060 2.9775 2.9775 3.1859 3.1859 3.3102 3.3102 3.4670 3.4670 3.6898 3.6898 4.0733 4.0733 4.2910 4.2910 5.4149 5.4149 5.5710 5.5710 5.6639 5.6639 6.1251 6.1251 6.1888 6.1888 k = 0.5920-0.3050 0.0157 ( 7804 PWs) bands (ev): -8.9150 -8.9150 -8.8244 -8.8244 -8.0777 -8.0777 -7.8344 -7.8344 -7.0626 -7.0626 -7.0304 -7.0304 -5.4439 -5.4439 -5.0490 -5.0490 -0.4654 -0.4654 -0.2416 -0.2416 0.0456 0.0456 0.1702 0.1702 0.4821 0.4821 0.9950 0.9950 2.0322 2.0322 2.2189 2.2189 2.5557 2.5557 2.6747 2.6747 2.7036 2.7036 2.9843 2.9843 3.1902 3.1902 3.3244 3.3244 3.4556 3.4556 3.6948 3.6948 4.0491 4.0491 4.2587 4.2587 5.3945 5.3945 5.5579 5.5579 5.6663 5.6663 6.1241 6.1241 6.1856 6.1856 k = 0.5986-0.3347 0.0157 ( 7804 PWs) bands (ev): -8.8873 -8.8873 -8.8038 -8.8038 -8.0695 -8.0695 -7.8223 -7.8223 -7.0531 -7.0531 -7.0118 -7.0118 -5.4782 -5.4782 -5.0770 -5.0770 -0.4431 -0.4431 -0.3095 -0.3095 0.0132 0.0132 0.1196 0.1196 0.4033 0.4033 0.9456 0.9456 2.0477 2.0477 2.2195 2.2195 2.5392 2.5392 2.6775 2.6775 2.7081 2.7081 2.9808 2.9808 3.1833 3.1833 3.3424 3.3424 3.4524 3.4524 3.6991 3.6991 4.0198 4.0198 4.2267 4.2267 5.3756 5.3756 5.5482 5.5482 5.6758 5.6758 6.1209 6.1209 6.1808 6.1808 k = 0.6051-0.3643 0.0157 ( 7810 PWs) bands (ev): -8.8581 -8.8581 -8.7823 -8.7823 -8.0609 -8.0609 -7.8096 -7.8096 -7.0432 -7.0432 -6.9921 -6.9921 -5.5151 -5.5151 -5.1076 -5.1076 -0.4218 -0.4218 -0.3714 -0.3714 -0.0326 -0.0326 0.0854 0.0854 0.3252 0.3252 0.8986 0.8986 2.0617 2.0617 2.2164 2.2164 2.5177 2.5177 2.6741 2.6741 2.7180 2.7180 2.9654 2.9654 3.1776 3.1776 3.3503 3.3503 3.4613 3.4613 3.6992 3.6992 3.9847 3.9847 4.1960 4.1960 5.3598 5.3598 5.5457 5.5457 5.6895 5.6895 6.1147 6.1147 6.1751 6.1751 k = 0.6117-0.3940 0.0157 ( 7810 PWs) bands (ev): -8.8277 -8.8277 -8.7600 -8.7600 -8.0518 -8.0518 -7.7964 -7.7964 -7.0330 -7.0330 -6.9712 -6.9712 -5.5545 -5.5545 -5.1405 -5.1405 -0.4368 -0.4368 -0.3923 -0.3923 -0.0835 -0.0835 0.0595 0.0595 0.2487 0.2487 0.8550 0.8550 2.0736 2.0736 2.2088 2.2088 2.4943 2.4943 2.6676 2.6676 2.7290 2.7290 2.9406 2.9406 3.1756 3.1756 3.3475 3.3475 3.4786 3.4786 3.6937 3.6937 3.9436 3.9436 4.1674 4.1674 5.3491 5.3491 5.5512 5.5512 5.7060 5.7060 6.1052 6.1052 6.1693 6.1693 k = 0.6183-0.4237 0.0157 ( 7808 PWs) bands (ev): -8.7960 -8.7960 -8.7372 -8.7372 -8.0423 -8.0423 -7.7827 -7.7827 -7.0225 -7.0225 -6.9493 -6.9493 -5.5964 -5.5964 -5.1759 -5.1759 -0.4884 -0.4884 -0.3727 -0.3727 -0.1321 -0.1321 0.0350 0.0350 0.1744 0.1744 0.8154 0.8154 2.0826 2.0826 2.1961 2.1961 2.4715 2.4715 2.6591 2.6591 2.7387 2.7387 2.9107 2.9107 3.1749 3.1749 3.3400 3.3400 3.4962 3.4962 3.6830 3.6830 3.8969 3.8969 4.1403 4.1403 5.3453 5.3453 5.5640 5.5640 5.7250 5.7250 6.0929 6.0929 6.1640 6.1640 k = 0.6248-0.4534 0.0157 ( 7804 PWs) bands (ev): -8.7634 -8.7634 -8.7137 -8.7137 -8.0323 -8.0323 -7.7685 -7.7685 -7.0117 -7.0117 -6.9263 -6.9263 -5.6407 -5.6407 -5.2136 -5.2136 -0.5366 -0.5366 -0.3551 -0.3551 -0.1734 -0.1734 0.0090 0.0090 0.1033 0.1033 0.7804 0.7804 2.0868 2.0868 2.1789 2.1789 2.4513 2.4513 2.6487 2.6487 2.7457 2.7457 2.8800 2.8800 3.1728 3.1728 3.3308 3.3308 3.5087 3.5087 3.6696 3.6696 3.8459 3.8459 4.1135 4.1135 5.3497 5.3497 5.5825 5.5825 5.7463 5.7463 6.0790 6.0790 6.1594 6.1594 k = 0.6314-0.4831 0.0157 ( 7806 PWs) bands (ev): -8.7301 -8.7301 -8.6900 -8.6900 -8.0219 -8.0219 -7.7539 -7.7539 -7.0008 -7.0008 -6.9024 -6.9024 -5.6872 -5.6872 -5.2538 -5.2538 -0.5797 -0.5797 -0.3456 -0.3456 -0.2029 -0.2029 -0.0202 -0.0202 0.0372 0.0372 0.7503 0.7503 2.0830 2.0830 2.1598 2.1598 2.4345 2.4345 2.6365 2.6365 2.7476 2.7476 2.8523 2.8523 3.1677 3.1677 3.3203 3.3203 3.5134 3.5134 3.6569 3.6569 3.7924 3.7924 4.0858 4.0858 5.3624 5.3624 5.6047 5.6047 5.7701 5.7701 6.0650 6.0650 6.1562 6.1562 k = 0.6380-0.5128 0.0157 ( 7806 PWs) bands (ev): -8.6961 -8.6961 -8.6660 -8.6660 -8.0109 -8.0109 -7.7390 -7.7390 -6.9897 -6.9897 -6.8774 -6.8774 -5.7357 -5.7357 -5.2961 -5.2961 -0.6175 -0.6175 -0.3494 -0.3494 -0.2171 -0.2171 -0.0534 -0.0534 -0.0204 -0.0204 0.7251 0.7251 2.0668 2.0668 2.1434 2.1434 2.4211 2.4211 2.6231 2.6231 2.7413 2.7413 2.8317 2.8317 3.1593 3.1593 3.3067 3.3067 3.5103 3.5103 3.6461 3.6461 3.7391 3.7391 4.0564 4.0564 5.3829 5.3829 5.6284 5.6284 5.7968 5.7968 6.0525 6.0525 6.1547 6.1547 k = 0.6445-0.5425 0.0157 ( 7806 PWs) bands (ev): -8.6619 -8.6619 -8.6420 -8.6420 -7.9993 -7.9993 -7.7238 -7.7238 -6.9785 -6.9785 -6.8515 -6.8515 -5.7862 -5.7862 -5.3407 -5.3407 -0.6501 -0.6501 -0.3649 -0.3649 -0.2239 -0.2239 -0.0879 -0.0879 -0.0652 -0.0652 0.7044 0.7044 2.0380 2.0380 2.1305 2.1305 2.4104 2.4104 2.6088 2.6088 2.7249 2.7249 2.8199 2.8199 3.1480 3.1480 3.2879 3.2879 3.5026 3.5026 3.6319 3.6319 3.6923 3.6923 4.0255 4.0255 5.4103 5.4103 5.6515 5.6515 5.8267 5.8267 6.0432 6.0432 6.1558 6.1558 k = 0.6511-0.5722 0.0157 ( 7808 PWs) bands (ev): -8.6278 -8.6278 -8.6179 -8.6179 -7.9871 -7.9871 -7.7084 -7.7084 -6.9672 -6.9672 -6.8248 -6.8248 -5.8382 -5.8382 -5.3872 -5.3872 -0.6774 -0.6774 -0.3850 -0.3850 -0.2427 -0.2427 -0.1124 -0.1124 -0.0956 -0.0956 0.6880 0.6880 2.0010 2.0010 2.1179 2.1179 2.4011 2.4011 2.5934 2.5934 2.7017 2.7017 2.8137 2.8137 3.1344 3.1344 3.2628 3.2628 3.4942 3.4942 3.5994 3.5994 3.6658 3.6658 3.9938 3.9938 5.4431 5.4431 5.6725 5.6725 5.8594 5.8594 6.0386 6.0386 6.1603 6.1603 k = 0.6577-0.6018 0.0157 ( 7810 PWs) bands (ev): -8.5963 -8.5963 -8.5918 -8.5918 -7.9742 -7.9742 -7.6930 -7.6930 -6.9557 -6.9557 -6.7972 -6.7972 -5.8916 -5.8916 -5.4356 -5.4356 -0.6997 -0.6997 -0.4046 -0.4046 -0.2799 -0.2799 -0.1440 -0.1440 -0.0923 -0.0923 0.6753 0.6753 1.9597 1.9597 2.1027 2.1027 2.3921 2.3921 2.5760 2.5760 2.6771 2.6771 2.8086 2.8086 3.1190 3.1190 3.2322 3.2322 3.4862 3.4862 3.5525 3.5525 3.6554 3.6554 3.9625 3.9625 5.4798 5.4798 5.6907 5.6907 5.8941 5.8941 6.0401 6.0401 6.1690 6.1690 k = 0.6643-0.6315 0.0157 ( 7806 PWs) bands (ev): -8.5723 -8.5723 -8.5594 -8.5594 -7.9604 -7.9604 -7.6775 -7.6775 -6.9441 -6.9441 -6.7690 -6.7690 -5.9459 -5.9459 -5.4857 -5.4857 -0.7169 -0.7169 -0.4216 -0.4216 -0.3248 -0.3248 -0.1789 -0.1789 -0.0709 -0.0709 0.6657 0.6657 1.9165 1.9165 2.0841 2.0841 2.3817 2.3817 2.5544 2.5544 2.6556 2.6556 2.8016 2.8016 3.1018 3.1018 3.1989 3.1989 3.4737 3.4737 3.5078 3.5078 3.6484 3.6484 3.9328 3.9328 5.5186 5.5186 5.7066 5.7066 5.9290 5.9290 6.0489 6.0489 6.1828 6.1828 k = 0.6708-0.6612 0.0157 ( 7804 PWs) bands (ev): -8.5499 -8.5499 -8.5271 -8.5271 -7.9458 -7.9458 -7.6621 -7.6621 -6.9323 -6.9323 -6.7401 -6.7401 -6.0008 -6.0008 -5.5372 -5.5372 -0.7294 -0.7294 -0.4359 -0.4359 -0.3693 -0.3693 -0.2132 -0.2132 -0.0427 -0.0427 0.6588 0.6588 1.8726 1.8726 2.0620 2.0620 2.3684 2.3684 2.5268 2.5268 2.6405 2.6405 2.7906 2.7906 3.0830 3.0830 3.1663 3.1663 3.4385 3.4385 3.4855 3.4855 3.6417 3.6417 3.9059 3.9059 5.5581 5.5581 5.7214 5.7214 5.9620 5.9620 6.0656 6.0656 6.2023 6.2023 k = 0.6774-0.6909 0.0157 ( 7806 PWs) bands (ev): -8.5285 -8.5285 -8.4960 -8.4960 -7.9302 -7.9302 -7.6470 -7.6470 -6.9203 -6.9203 -6.7110 -6.7110 -6.0557 -6.0557 -5.5899 -5.5899 -0.7374 -0.7374 -0.4507 -0.4507 -0.4070 -0.4070 -0.2461 -0.2461 -0.0113 -0.0113 0.6539 0.6539 1.8289 1.8289 2.0371 2.0371 2.3503 2.3503 2.4944 2.4944 2.6319 2.6319 2.7744 2.7744 3.0624 3.0624 3.1372 3.1372 3.3914 3.3914 3.4741 3.4741 3.6355 3.6355 3.8826 3.8826 5.5967 5.5967 5.7370 5.7370 5.9920 5.9920 6.0897 6.0897 6.2280 6.2280 k = 0.6840-0.7206 0.0157 ( 7796 PWs) bands (ev): -8.5082 -8.5082 -8.4667 -8.4667 -7.9136 -7.9136 -7.6323 -7.6323 -6.9079 -6.9079 -6.6820 -6.6820 -6.1099 -6.1099 -5.6436 -5.6436 -0.7409 -0.7409 -0.4751 -0.4751 -0.4275 -0.4275 -0.2769 -0.2769 0.0220 0.0220 0.6507 0.6507 1.7861 1.7861 2.0099 2.0099 2.3257 2.3257 2.4600 2.4600 2.6277 2.6277 2.7524 2.7524 3.0408 3.0408 3.1131 3.1131 3.3441 3.3441 3.4609 3.4609 3.6307 3.6307 3.8631 3.8631 5.6329 5.6329 5.7556 5.7556 6.0195 6.0195 6.1188 6.1188 6.2598 6.2598 k = 0.6905-0.7503 0.0157 ( 7798 PWs) bands (ev): -8.4892 -8.4892 -8.4395 -8.4395 -7.8960 -7.8960 -7.6181 -7.6181 -6.8950 -6.8950 -6.6537 -6.6537 -6.1623 -6.1623 -5.6979 -5.6979 -0.7405 -0.7405 -0.5074 -0.5074 -0.4319 -0.4319 -0.3051 -0.3051 0.0563 0.0563 0.6488 0.6488 1.7445 1.7445 1.9811 1.9811 2.2937 2.2937 2.4262 2.4262 2.6257 2.6257 2.7245 2.7245 3.0195 3.0195 3.0935 3.0935 3.2987 3.2987 3.4438 3.4438 3.6279 3.6279 3.8472 3.8472 5.6655 5.6655 5.7789 5.7789 6.0462 6.0462 6.1502 6.1502 6.2973 6.2973 k = 0.6971-0.7800 0.0157 ( 7786 PWs) bands (ev): -8.4717 -8.4717 -8.4148 -8.4148 -7.8775 -7.8775 -7.6046 -7.6046 -6.8814 -6.8814 -6.6274 -6.6274 -6.2114 -6.2114 -5.7527 -5.7527 -0.7362 -0.7362 -0.5390 -0.5390 -0.4286 -0.4286 -0.3300 -0.3300 0.0913 0.0913 0.6479 0.6479 1.7043 1.7043 1.9509 1.9509 2.2549 2.2549 2.3939 2.3939 2.6238 2.6238 2.6919 2.6919 2.9998 2.9998 3.0772 3.0772 3.2563 3.2563 3.4233 3.4233 3.6273 3.6273 3.8349 3.8349 5.6944 5.6944 5.8076 5.8076 6.0731 6.0731 6.1818 6.1818 6.3392 6.3392 k = 0.7037-0.8097 0.0157 ( 7782 PWs) bands (ev): -8.4558 -8.4558 -8.3928 -8.3928 -7.8583 -7.8583 -7.5920 -7.5920 -6.8670 -6.8670 -6.6053 -6.6053 -6.2546 -6.2546 -5.8076 -5.8076 -0.7284 -0.7284 -0.5672 -0.5672 -0.4205 -0.4205 -0.3513 -0.3513 0.1266 0.1266 0.6477 0.6477 1.6656 1.6656 1.9197 1.9197 2.2113 2.2113 2.3626 2.3626 2.6195 2.6195 2.6561 2.6561 2.9822 2.9822 3.0629 3.0629 3.2179 3.2179 3.4005 3.4005 3.6280 3.6280 3.8259 3.8259 5.7208 5.7208 5.8410 5.8410 6.1008 6.1008 6.2128 6.2128 6.3845 6.3845 k = 0.7102-0.8393 0.0157 ( 7770 PWs) bands (ev): -8.4418 -8.4418 -8.3737 -8.3737 -7.8387 -7.8387 -7.5805 -7.5805 -6.8514 -6.8514 -6.5911 -6.5911 -6.2879 -6.2879 -5.8623 -5.8623 -0.7176 -0.7176 -0.5910 -0.5910 -0.4089 -0.4089 -0.3679 -0.3679 0.1621 0.1621 0.6482 0.6482 1.6286 1.6286 1.8874 1.8874 2.1653 2.1653 2.3315 2.3315 2.6063 2.6063 2.6233 2.6233 2.9669 2.9669 3.0493 3.0493 3.1845 3.1845 3.3770 3.3770 3.6292 3.6292 3.8200 3.8200 5.7462 5.7462 5.8777 5.8777 6.1293 6.1293 6.2429 6.2429 6.4319 6.4319 k = 0.7168-0.8690 0.0157 ( 7778 PWs) bands (ev): -8.4298 -8.4298 -8.3576 -8.3576 -7.8192 -7.8192 -7.5704 -7.5704 -6.8345 -6.8345 -6.5895 -6.5895 -6.3060 -6.3060 -5.9165 -5.9165 -0.7040 -0.7040 -0.6101 -0.6101 -0.3979 -0.3979 -0.3761 -0.3761 0.1974 0.1974 0.6491 0.6491 1.5932 1.5932 1.8539 1.8539 2.1191 2.1191 2.3001 2.3001 2.5711 2.5711 2.6066 2.6066 2.9541 2.9541 3.0350 3.0350 3.1574 3.1574 3.3542 3.3542 3.6299 3.6299 3.8173 3.8173 5.7719 5.7719 5.9163 5.9163 6.1586 6.1586 6.2725 6.2725 6.4808 6.4808 k = 0.7234-0.8987 0.0157 ( 7770 PWs) bands (ev): -8.4199 -8.4199 -8.3445 -8.3445 -7.8003 -7.8003 -7.5619 -7.5619 -6.8159 -6.8159 -6.6032 -6.6032 -6.3060 -6.3060 -5.9698 -5.9698 -0.6882 -0.6882 -0.6239 -0.6239 -0.3981 -0.3981 -0.3656 -0.3656 0.2326 0.2326 0.6504 0.6504 1.5593 1.5593 1.8191 1.8191 2.0742 2.0742 2.2687 2.2687 2.5295 2.5295 2.5900 2.5900 2.9435 2.9435 3.0193 3.0193 3.1375 3.1375 3.3333 3.3333 3.6295 3.6295 3.8178 3.8178 5.7985 5.7985 5.9558 5.9558 6.1887 6.1887 6.3022 6.3022 6.5305 6.5305 k = 0.7300-0.9284 0.0157 ( 7778 PWs) bands (ev): -8.4122 -8.4122 -8.3344 -8.3344 -7.7826 -7.7826 -7.5553 -7.5553 -6.7954 -6.7954 -6.6301 -6.6301 -6.2896 -6.2896 -6.0219 -6.0219 -0.6717 -0.6717 -0.6313 -0.6313 -0.4011 -0.4011 -0.3449 -0.3449 0.2675 0.2675 0.6522 0.6522 1.5270 1.5270 1.7827 1.7827 2.0319 2.0319 2.2374 2.2374 2.4863 2.4863 2.5693 2.5693 2.9344 2.9344 3.0023 3.0023 3.1246 3.1246 3.3155 3.3155 3.6274 3.6274 3.8215 3.8215 5.8259 5.8259 5.9954 5.9954 6.2198 6.2198 6.3326 6.3326 6.5807 6.5807 k = 0.7365-0.9581 0.0157 ( 7774 PWs) bands (ev): -8.4068 -8.4068 -8.3271 -8.3271 -7.7668 -7.7668 -7.5507 -7.5507 -6.7727 -6.7727 -6.6650 -6.6650 -6.2616 -6.2616 -6.0723 -6.0723 -0.6585 -0.6585 -0.6284 -0.6284 -0.4008 -0.4008 -0.3204 -0.3204 0.3021 0.3021 0.6542 0.6542 1.4960 1.4960 1.7448 1.7448 1.9928 1.9928 2.2068 2.2068 2.4420 2.4420 2.5452 2.5452 2.9252 2.9252 2.9858 2.9858 3.1177 3.1177 3.3015 3.3015 3.6236 3.6236 3.8280 3.8280 5.8538 5.8538 6.0342 6.0342 6.2523 6.2523 6.3642 6.3642 6.6309 6.6309 k = 0.7431-0.9878 0.0157 ( 7780 PWs) bands (ev): -8.4039 -8.4039 -8.3224 -8.3224 -7.7536 -7.7536 -7.5485 -7.5485 -6.7480 -6.7480 -6.7036 -6.7036 -6.2259 -6.2259 -6.1206 -6.1206 -0.6516 -0.6516 -0.6123 -0.6123 -0.3964 -0.3964 -0.2937 -0.2937 0.3362 0.3362 0.6566 0.6566 1.4664 1.4664 1.7056 1.7056 1.9572 1.9572 2.1772 2.1772 2.3968 2.3968 2.5189 2.5189 2.9134 2.9134 2.9724 2.9724 3.1155 3.1155 3.2920 3.2920 3.6181 3.6181 3.8370 3.8370 5.8814 5.8814 6.0717 6.0717 6.2869 6.2869 6.3977 6.3977 6.6807 6.6807 k = 0.7497-1.0175 0.0157 ( 7782 PWs) bands (ev): -8.4035 -8.4035 -8.3203 -8.3203 -7.7433 -7.7433 -7.5488 -7.5488 -6.7432 -6.7432 -6.7212 -6.7212 -6.1851 -6.1851 -6.1662 -6.1662 -0.6453 -0.6453 -0.5891 -0.5891 -0.3877 -0.3877 -0.2651 -0.2651 0.3700 0.3700 0.6592 0.6592 1.4382 1.4382 1.6658 1.6658 1.9250 1.9250 2.1489 2.1489 2.3513 2.3513 2.4916 2.4916 2.8976 2.8976 2.9636 2.9636 3.1170 3.1170 3.2873 3.2873 3.6113 3.6113 3.8479 3.8479 5.9079 5.9079 6.1075 6.1075 6.3241 6.3241 6.4331 6.4331 6.7298 6.7298 k = 0.7562-1.0472 0.0157 ( 7774 PWs) bands (ev): -8.4056 -8.4056 -8.3204 -8.3204 -7.7366 -7.7366 -7.5518 -7.5518 -6.7820 -6.7820 -6.6929 -6.6929 -6.2082 -6.2082 -6.1406 -6.1406 -0.6360 -0.6360 -0.5625 -0.5625 -0.3747 -0.3747 -0.2353 -0.2353 0.4033 0.4033 0.6621 0.6621 1.4115 1.4115 1.6259 1.6259 1.8956 1.8956 2.1221 2.1221 2.3056 2.3056 2.4648 2.4648 2.8789 2.8789 2.9585 2.9585 3.1217 3.1217 3.2875 3.2875 3.6035 3.6035 3.8604 3.8604 5.9321 5.9321 6.1419 6.1419 6.3643 6.3643 6.4706 6.4706 6.7775 6.7775 k = 0.2438-1.1014 0.6294 ( 7774 PWs) bands (ev): -8.4056 -8.4056 -8.3204 -8.3204 -7.7366 -7.7366 -7.5518 -7.5518 -6.7820 -6.7820 -6.6929 -6.6929 -6.2082 -6.2082 -6.1406 -6.1406 -0.6360 -0.6360 -0.5625 -0.5625 -0.3747 -0.3747 -0.2353 -0.2353 0.4033 0.4033 0.6621 0.6621 1.4115 1.4115 1.6259 1.6259 1.8956 1.8956 2.1221 2.1221 2.3056 2.3056 2.4648 2.4648 2.8789 2.8789 2.9585 2.9585 3.1217 3.1217 3.2875 3.2875 3.6035 3.6035 3.8604 3.8604 5.9321 5.9321 6.1419 6.1419 6.3643 6.3643 6.4706 6.4706 6.7775 6.7775 k = 0.2372-1.0717 0.6294 ( 7778 PWs) bands (ev): -8.4102 -8.4102 -8.3227 -8.3227 -7.7337 -7.7337 -7.5576 -7.5576 -6.8191 -6.8191 -6.6642 -6.6642 -6.2453 -6.2453 -6.0932 -6.0932 -0.6229 -0.6229 -0.5335 -0.5335 -0.3577 -0.3577 -0.2047 -0.2047 0.4364 0.4364 0.6650 0.6650 1.3863 1.3863 1.5864 1.5864 1.8687 1.8687 2.0967 2.0967 2.2603 2.2603 2.4392 2.4392 2.8593 2.8593 2.9556 2.9556 3.1291 3.1291 3.2924 3.2924 3.5948 3.5948 3.8739 3.8739 5.9533 5.9533 6.1752 6.1752 6.4073 6.4073 6.5102 6.5102 6.8236 6.8236 k = 0.2306-1.0419 0.6294 ( 7786 PWs) bands (ev): -8.4175 -8.4175 -8.3270 -8.3270 -7.7347 -7.7347 -7.5661 -7.5661 -6.8540 -6.8540 -6.6372 -6.6372 -6.2754 -6.2754 -6.0436 -6.0436 -0.6058 -0.6058 -0.5024 -0.5024 -0.3368 -0.3368 -0.1738 -0.1738 0.4692 0.4692 0.6678 0.6678 1.3630 1.3630 1.5481 1.5481 1.8437 1.8437 2.0728 2.0728 2.2162 2.2162 2.4157 2.4157 2.8404 2.8404 2.9543 2.9543 3.1388 3.1388 3.3017 3.3017 3.5857 3.5857 3.8881 3.8881 5.9708 5.9708 6.2082 6.2082 6.4523 6.4523 6.5517 6.5517 6.8673 6.8673 k = 0.2240-1.0121 0.6294 ( 7784 PWs) bands (ev): -8.4273 -8.4273 -8.3331 -8.3331 -7.7396 -7.7396 -7.5775 -7.5775 -6.8861 -6.8861 -6.6150 -6.6150 -6.2953 -6.2953 -5.9921 -5.9921 -0.5849 -0.5849 -0.4696 -0.4696 -0.3122 -0.3122 -0.1430 -0.1430 0.5017 0.5017 0.6704 0.6704 1.3419 1.3419 1.5115 1.5115 1.8203 1.8203 2.0503 2.0503 2.1739 2.1739 2.3945 2.3945 2.8234 2.8234 2.9543 2.9543 3.1502 3.1502 3.3150 3.3150 3.5764 3.5764 3.9027 3.9027 5.9842 5.9842 6.2411 6.2411 6.4982 6.4982 6.5949 6.5949 6.9082 6.9082 k = 0.2174-0.9824 0.6294 ( 7774 PWs) bands (ev): -8.4396 -8.4396 -8.3408 -8.3408 -7.7484 -7.7484 -7.5913 -7.5913 -6.9155 -6.9155 -6.6019 -6.6019 -6.3011 -6.3011 -5.9391 -5.9391 -0.5604 -0.5604 -0.4356 -0.4356 -0.2839 -0.2839 -0.1129 -0.1129 0.5340 0.5340 0.6725 0.6725 1.3234 1.3234 1.4769 1.4769 1.7981 1.7981 2.0294 2.0294 2.1343 2.1343 2.3756 2.3756 2.8093 2.8093 2.9560 2.9560 3.1628 3.1628 3.3320 3.3320 3.5671 3.5671 3.9173 3.9173 5.9936 5.9936 6.2740 6.2740 6.5440 6.5440 6.6393 6.6393 6.9454 6.9454 k = 0.2108-0.9526 0.6294 ( 7776 PWs) bands (ev): -8.4542 -8.4542 -8.3500 -8.3500 -7.7609 -7.7609 -7.6074 -7.6074 -6.9421 -6.9421 -6.6007 -6.6007 -6.2902 -6.2902 -5.8849 -5.8849 -0.5326 -0.5326 -0.4006 -0.4006 -0.2516 -0.2516 -0.0839 -0.0839 0.5658 0.5658 0.6740 0.6740 1.3077 1.3077 1.4445 1.4445 1.7768 1.7768 2.0101 2.0101 2.0981 2.0981 2.3589 2.3589 2.7987 2.7987 2.9599 2.9599 3.1762 3.1762 3.3524 3.3524 3.5582 3.5582 3.9318 3.9318 5.9994 5.9994 6.3068 6.3068 6.5888 6.5888 6.6844 6.6844 6.9784 6.9784 k = 0.2042-0.9228 0.6294 ( 7778 PWs) bands (ev): -8.4712 -8.4712 -8.3606 -8.3606 -7.7766 -7.7766 -7.6255 -7.6255 -6.9662 -6.9662 -6.6107 -6.6107 -6.2637 -6.2637 -5.8297 -5.8297 -0.5017 -0.5017 -0.3655 -0.3655 -0.2152 -0.2152 -0.0563 -0.0563 0.5965 0.5965 0.6756 0.6756 1.2952 1.2952 1.4144 1.4144 1.7566 1.7566 1.9924 1.9924 2.0661 2.0661 2.3440 2.3440 2.7922 2.7922 2.9666 2.9666 3.1897 3.1897 3.3760 3.3760 3.5499 3.5499 3.9460 3.9460 6.0022 6.0022 6.3390 6.3390 6.6315 6.6315 6.7294 6.7294 7.0064 7.0064 k = 0.1976-0.8931 0.6294 ( 7776 PWs) bands (ev): -8.4903 -8.4903 -8.3723 -8.3723 -7.7952 -7.7952 -7.6451 -7.6451 -6.9880 -6.9880 -6.6287 -6.6287 -6.2251 -6.2251 -5.7738 -5.7738 -0.4681 -0.4681 -0.3308 -0.3308 -0.1743 -0.1743 -0.0304 -0.0304 0.6232 0.6232 0.6799 0.6799 1.2859 1.2859 1.3868 1.3868 1.7376 1.7376 1.9763 1.9763 2.0392 2.0392 2.3308 2.3308 2.7901 2.7901 2.9767 2.9767 3.2030 3.2030 3.4023 3.4023 3.5426 3.5426 3.9597 3.9597 6.0023 6.0023 6.3701 6.3701 6.6713 6.6713 6.7735 6.7735 7.0284 7.0284 k = 0.1911-0.8633 0.6294 ( 7772 PWs) bands (ev): -8.5114 -8.5114 -8.3852 -8.3852 -7.8164 -7.8164 -7.6660 -7.6660 -7.0077 -7.0077 -6.6514 -6.6514 -6.1784 -6.1784 -5.7174 -5.7174 -0.4321 -0.4321 -0.2969 -0.2969 -0.1290 -0.1290 -0.0067 -0.0067 0.6384 0.6384 0.6947 0.6947 1.2796 1.2796 1.3614 1.3614 1.7205 1.7205 1.9615 1.9615 2.0183 2.0183 2.3190 2.3190 2.7924 2.7924 2.9907 2.9907 3.2156 3.2156 3.4312 3.4312 3.5366 3.5366 3.9729 3.9729 6.0003 6.0003 6.3997 6.3997 6.7073 6.7073 6.8154 6.8154 7.0436 7.0436 k = 0.1845-0.8335 0.6294 ( 7766 PWs) bands (ev): -8.5343 -8.5343 -8.3991 -8.3991 -7.8397 -7.8397 -7.6876 -7.6876 -7.0256 -7.0256 -6.6764 -6.6764 -6.1263 -6.1263 -5.6608 -5.6608 -0.3941 -0.3941 -0.2642 -0.2642 -0.0796 -0.0796 0.0148 0.0148 0.6395 0.6395 0.7224 0.7224 1.2757 1.2757 1.3383 1.3383 1.7059 1.7059 1.9474 1.9474 2.0043 2.0043 2.3090 2.3090 2.7989 2.7989 3.0090 3.0090 3.2272 3.2272 3.4622 3.4622 3.5326 3.5326 3.9854 3.9854 5.9965 5.9965 6.4273 6.4273 6.7385 6.7385 6.8540 6.8540 7.0511 7.0511 k = 0.1779-0.8038 0.6294 ( 7768 PWs) bands (ev): -8.5588 -8.5588 -8.4138 -8.4138 -7.8648 -7.8648 -7.7097 -7.7097 -7.0421 -7.0421 -6.7023 -6.7023 -6.0706 -6.0706 -5.6042 -5.6042 -0.3545 -0.3545 -0.2327 -0.2327 -0.0269 -0.0269 0.0344 0.0344 0.6334 0.6334 0.7567 0.7567 1.2734 1.2734 1.3177 1.3177 1.6948 1.6948 1.9337 1.9337 1.9977 1.9977 2.3011 2.3011 2.8092 2.8092 3.0318 3.0318 3.2376 3.2376 3.4943 3.4943 3.5316 3.5316 3.9972 3.9972 5.9913 5.9913 6.4524 6.4524 6.7639 6.7639 6.8880 6.8880 7.0503 7.0503 k = 0.1713-0.7740 0.6294 ( 7768 PWs) bands (ev): -8.5846 -8.5846 -8.4293 -8.4293 -7.8913 -7.8913 -7.7321 -7.7321 -7.0574 -7.0574 -6.7284 -6.7284 -6.0126 -6.0126 -5.5478 -5.5478 -0.3136 -0.3136 -0.2023 -0.2023 0.0248 0.0248 0.0554 0.0554 0.6239 0.6239 0.7945 0.7945 1.2702 1.2702 1.3014 1.3014 1.6879 1.6879 1.9204 1.9204 1.9984 1.9984 2.2960 2.2960 2.8227 2.8227 3.0592 3.0592 3.2467 3.2467 3.5208 3.5208 3.5405 3.5405 4.0083 4.0083 5.9849 5.9849 6.4746 6.4746 6.7823 6.7823 6.9160 6.9160 7.0408 7.0408 k = 0.1647-0.7442 0.6294 ( 7772 PWs) bands (ev): -8.6115 -8.6115 -8.4453 -8.4453 -7.9188 -7.9188 -7.7544 -7.7544 -7.0716 -7.0716 -6.7542 -6.7542 -5.9532 -5.9532 -5.4920 -5.4920 -0.2718 -0.2718 -0.1729 -0.1729 0.0545 0.0545 0.0979 0.0979 0.6124 0.6124 0.8350 0.8350 1.2613 1.2613 1.2936 1.2936 1.6858 1.6858 1.9075 1.9075 2.0058 2.0058 2.2946 2.2946 2.8388 2.8388 3.0911 3.0911 3.2546 3.2546 3.5300 3.5300 3.5710 3.5710 4.0187 4.0187 5.9776 5.9776 6.4932 6.4932 6.7926 6.7926 6.9367 6.9367 7.0230 7.0230 k = 0.1581-0.7144 0.6294 ( 7770 PWs) bands (ev): -8.6393 -8.6393 -8.4619 -8.4619 -7.9469 -7.9469 -7.7764 -7.7764 -7.0851 -7.0851 -6.7794 -6.7794 -5.8931 -5.8931 -5.4368 -5.4368 -0.2295 -0.2295 -0.1446 -0.1446 0.0673 0.0673 0.1559 0.1559 0.5998 0.5998 0.8778 0.8778 1.2460 1.2460 1.2953 1.2953 1.6886 1.6886 1.8953 1.8953 2.0191 2.0191 2.2981 2.2981 2.8569 2.8569 3.1269 3.1269 3.2615 3.2615 3.5378 3.5378 3.6072 3.6072 4.0283 4.0283 5.9695 5.9695 6.5075 6.5075 6.7934 6.7934 6.9477 6.9477 6.9982 6.9982 k = 0.1515-0.6847 0.6294 ( 7774 PWs) bands (ev): -8.6677 -8.6677 -8.4789 -8.4789 -7.9754 -7.9754 -7.7980 -7.7980 -7.0978 -7.0978 -6.8039 -6.8039 -5.8328 -5.8328 -5.3826 -5.3826 -0.1868 -0.1868 -0.1173 -0.1173 0.0757 0.0757 0.2161 0.2161 0.5871 0.5871 0.9229 0.9229 1.2282 1.2282 1.3030 1.3030 1.6958 1.6958 1.8840 1.8840 2.0374 2.0374 2.3077 2.3077 2.8762 2.8762 3.1655 3.1655 3.2686 3.2686 3.5486 3.5486 3.6446 3.6446 4.0372 4.0372 5.9607 5.9607 6.5165 6.5165 6.7832 6.7832 6.9444 6.9444 6.9706 6.9706 k = 0.1449-0.6549 0.6294 ( 7784 PWs) bands (ev): -8.6965 -8.6965 -8.4962 -8.4962 -8.0041 -8.0041 -7.8192 -7.8192 -7.1100 -7.1100 -6.8275 -6.8275 -5.7728 -5.7728 -5.3295 -5.3295 -0.1444 -0.1444 -0.0912 -0.0912 0.0813 0.0813 0.2754 0.2754 0.5751 0.5751 0.9699 0.9699 1.2099 1.2099 1.3166 1.3166 1.7061 1.7061 1.8737 1.8737 2.0599 2.0599 2.3246 2.3246 2.8962 2.8962 3.2040 3.2040 3.2784 3.2784 3.5631 3.5631 3.6824 3.6824 4.0454 4.0454 5.9515 5.9515 6.5189 6.5189 6.7606 6.7606 6.9184 6.9184 6.9487 6.9487 k = 0.1384-0.6251 0.6294 ( 7784 PWs) bands (ev): -8.7255 -8.7255 -8.5137 -8.5137 -8.0325 -8.0325 -7.8397 -7.8397 -7.1217 -7.1217 -6.8503 -6.8503 -5.7136 -5.7136 -5.2778 -5.2778 -0.1029 -0.1029 -0.0665 -0.0665 0.0852 0.0852 0.3320 0.3320 0.5648 0.5648 1.0181 1.0181 1.1922 1.1922 1.3368 1.3368 1.7183 1.7183 1.8652 1.8652 2.0860 2.0860 2.3494 2.3494 2.9161 2.9161 3.2350 3.2350 3.2982 3.2982 3.5814 3.5814 3.7199 3.7199 4.0531 4.0531 5.9417 5.9417 6.5132 6.5132 6.7244 6.7244 6.8806 6.8806 6.9226 6.9226 k = 0.1318-0.5954 0.6294 ( 7784 PWs) bands (ev): -8.7544 -8.7544 -8.5313 -8.5313 -8.0606 -8.0606 -7.8595 -7.8595 -7.1329 -7.1329 -6.8721 -6.8721 -5.6554 -5.6554 -5.2277 -5.2277 -0.0647 -0.0647 -0.0420 -0.0420 0.0883 0.0883 0.3839 0.3839 0.5578 0.5578 1.0649 1.0649 1.1779 1.1779 1.3646 1.3646 1.7308 1.7308 1.8591 1.8591 2.1154 2.1154 2.3824 2.3824 2.9354 2.9354 3.2519 3.2519 3.3347 3.3347 3.6034 3.6034 3.7568 3.7568 4.0602 4.0602 5.9315 5.9315 6.4974 6.4974 6.6748 6.6748 6.8395 6.8395 6.8850 6.8850 k = 0.1252-0.5656 0.6294 ( 7788 PWs) bands (ev): -8.7829 -8.7829 -8.5489 -8.5489 -8.0881 -8.0881 -7.8787 -7.8787 -7.1437 -7.1437 -6.8929 -6.8929 -5.5985 -5.5985 -5.1793 -5.1793 -0.0370 -0.0370 -0.0124 -0.0124 0.0920 0.0920 0.4283 0.4283 0.5566 0.5566 1.0997 1.0997 1.1783 1.1783 1.3996 1.3996 1.7424 1.7424 1.8569 1.8569 2.1481 2.1481 2.4232 2.4232 2.9535 2.9535 3.2611 3.2611 3.3813 3.3813 3.6288 3.6288 3.7927 3.7927 4.0670 4.0670 5.9207 5.9207 6.4689 6.4689 6.6145 6.6145 6.7955 6.7955 6.8365 6.8365 k = 0.1186-0.5358 0.6294 ( 7790 PWs) bands (ev): -8.8110 -8.8110 -8.5663 -8.5663 -8.1148 -8.1148 -7.8970 -7.8970 -7.1542 -7.1542 -6.9128 -6.9128 -5.5433 -5.5433 -5.1327 -5.1327 -0.0210 -0.0210 0.0203 0.0203 0.0993 0.0993 0.4609 0.4609 0.5657 0.5657 1.1041 1.1041 1.2119 1.2119 1.4406 1.4406 1.7530 1.7530 1.8602 1.8602 2.1840 2.1840 2.4707 2.4707 2.9701 2.9701 3.2686 3.2686 3.4318 3.4318 3.6573 3.6573 3.8272 3.8272 4.0734 4.0734 5.9092 5.9092 6.4252 6.4252 6.5479 6.5479 6.7442 6.7442 6.7815 6.7815 k = 0.1120-0.5061 0.6294 ( 7790 PWs) bands (ev): -8.8385 -8.8385 -8.5835 -8.5835 -8.1406 -8.1406 -7.9145 -7.9145 -7.1643 -7.1643 -6.9318 -6.9318 -5.4901 -5.4901 -5.0882 -5.0882 -0.0120 -0.0120 0.0458 0.0458 0.1151 0.1151 0.4798 0.4798 0.5878 0.5878 1.0923 1.0923 1.2643 1.2643 1.4847 1.4847 1.7636 1.7636 1.8709 1.8709 2.2228 2.2228 2.5238 2.5238 2.9849 2.9849 3.2768 3.2768 3.4834 3.4834 3.6883 3.6883 3.8599 3.8599 4.0798 4.0798 5.8966 5.8966 6.3641 6.3641 6.4798 6.4798 6.6788 6.6788 6.7273 6.7273 k = 0.1054-0.4763 0.6294 ( 7798 PWs) bands (ev): -8.8651 -8.8651 -8.6003 -8.6003 -8.1654 -8.1654 -7.9312 -7.9312 -7.1739 -7.1739 -6.9497 -6.9497 -5.4390 -5.4390 -5.0459 -5.0459 -0.0086 -0.0086 0.0598 0.0598 0.1415 0.1415 0.4898 0.4898 0.6194 0.6194 1.0775 1.0775 1.3211 1.3211 1.5277 1.5277 1.7773 1.7773 1.8912 1.8912 2.2641 2.2641 2.5813 2.5813 2.9980 2.9980 3.2868 3.2868 3.5347 3.5347 3.7211 3.7211 3.8904 3.8904 4.0860 4.0860 5.8823 5.8823 6.2874 6.2874 6.4123 6.4123 6.5994 6.5994 6.6741 6.6741 k = 0.0988-0.4465 0.6294 ( 7792 PWs) bands (ev): -8.8907 -8.8907 -8.6167 -8.6167 -8.1891 -8.1891 -7.9471 -7.9471 -7.1832 -7.1832 -6.9666 -6.9666 -5.3902 -5.3902 -5.0059 -5.0059 -0.0096 -0.0096 0.0660 0.0660 0.1733 0.1733 0.4972 0.4972 0.6555 0.6555 1.0633 1.0633 1.3762 1.3762 1.5645 1.5645 1.7989 1.7989 1.9231 1.9231 2.3071 2.3071 2.6421 2.6421 3.0094 3.0094 3.2993 3.2993 3.5844 3.5844 3.7550 3.7550 3.9186 3.9186 4.0923 4.0923 5.8649 5.8649 6.2003 6.2003 6.3446 6.3446 6.5105 6.5105 6.6186 6.6186 k = 0.0922-0.4168 0.6294 ( 7798 PWs) bands (ev): -8.9153 -8.9153 -8.6326 -8.6326 -8.2115 -8.2115 -7.9620 -7.9620 -7.1920 -7.1920 -6.9825 -6.9825 -5.3440 -5.3440 -4.9683 -4.9683 -0.0137 -0.0137 0.0679 0.0679 0.2051 0.2051 0.5058 0.5058 0.6936 0.6936 1.0514 1.0514 1.4247 1.4247 1.5912 1.5912 1.8334 1.8334 1.9678 1.9678 2.3509 2.3509 2.7050 2.7050 3.0197 3.0197 3.3144 3.3144 3.6315 3.6315 3.7890 3.7890 3.9442 3.9442 4.0986 4.0986 5.8420 5.8420 6.1096 6.1096 6.2754 6.2754 6.4158 6.4158 6.5598 6.5598 k = 0.0856-0.3870 0.6294 ( 7800 PWs) bands (ev): -8.9386 -8.9386 -8.6478 -8.6478 -8.2326 -8.2326 -7.9761 -7.9761 -7.2004 -7.2004 -6.9974 -6.9974 -5.3005 -5.3005 -4.9331 -4.9331 -0.0200 -0.0200 0.0669 0.0669 0.2339 0.2339 0.5175 0.5175 0.7326 0.7326 1.0429 1.0429 1.4631 1.4631 1.6071 1.6071 1.8834 1.8834 2.0248 2.0248 2.3947 2.3947 2.7692 2.7692 3.0293 3.0293 3.3323 3.3323 3.6750 3.6750 3.8221 3.8221 3.9672 3.9672 4.1049 4.1049 5.8083 5.8083 6.0227 6.0227 6.2041 6.2041 6.3192 6.3192 6.4979 6.4979 k = 0.0791-0.3572 0.6294 ( 7800 PWs) bands (ev): -8.9605 -8.9605 -8.6623 -8.6623 -8.2523 -8.2523 -7.9892 -7.9892 -7.2083 -7.2083 -7.0113 -7.0113 -5.2598 -5.2598 -4.9005 -4.9005 -0.0275 -0.0275 0.0638 0.0638 0.2576 0.2576 0.5332 0.5332 0.7713 0.7713 1.0395 1.0395 1.4899 1.4899 1.6148 1.6148 1.9476 1.9476 2.0917 2.0917 2.4377 2.4377 2.8339 2.8339 3.0391 3.0391 3.3530 3.3530 3.7139 3.7139 3.8531 3.8531 3.9879 3.9879 4.1108 4.1108 5.7561 5.7561 5.9482 5.9482 6.1286 6.1286 6.2271 6.2271 6.4339 6.4339 k = 0.0725-0.3275 0.6294 ( 7800 PWs) bands (ev): -8.9811 -8.9811 -8.6760 -8.6760 -8.2706 -8.2706 -8.0013 -8.0013 -7.2157 -7.2157 -7.0241 -7.0241 -5.2220 -5.2220 -4.8704 -4.8704 -0.0356 -0.0356 0.0590 0.0590 0.2756 0.2756 0.5532 0.5532 0.8081 0.8081 1.0429 1.0429 1.5065 1.5065 1.6171 1.6171 2.0221 2.0221 2.1656 2.1656 2.4795 2.4795 2.8981 2.8981 3.0498 3.0498 3.3763 3.3763 3.7476 3.7476 3.8805 3.8805 4.0067 4.0067 4.1162 4.1162 5.6814 5.6814 5.8883 5.8883 6.0461 6.0461 6.1490 6.1490 6.3693 6.3693 k = 0.0659-0.2977 0.6294 ( 7806 PWs) bands (ev): -9.0001 -9.0001 -8.6888 -8.6888 -8.2874 -8.2874 -8.0125 -8.0125 -7.2225 -7.2225 -7.0358 -7.0358 -5.1873 -5.1873 -4.8430 -4.8430 -0.0440 -0.0440 0.0532 0.0532 0.2879 0.2879 0.5763 0.5763 0.8410 0.8410 1.0552 1.0552 1.5151 1.5151 1.6162 1.6162 2.1021 2.1021 2.2438 2.2438 2.5198 2.5198 2.9611 2.9611 3.0626 3.0626 3.4018 3.4018 3.7754 3.7754 3.9027 3.9027 4.0241 4.0241 4.1210 4.1210 5.5912 5.5912 5.8301 5.8301 5.9625 5.9625 6.0894 6.0894 6.3056 6.3056 k = 0.0593-0.2679 0.6294 ( 7800 PWs) bands (ev): -9.0175 -9.0175 -8.7006 -8.7006 -8.3026 -8.3026 -8.0227 -8.0227 -7.2288 -7.2288 -7.0465 -7.0465 -5.1558 -5.1558 -4.8181 -4.8181 -0.0523 -0.0523 0.0467 0.0467 0.2954 0.2954 0.6009 0.6009 0.8687 0.8687 1.0774 1.0774 1.5180 1.5180 1.6136 1.6136 2.1823 2.1823 2.3240 2.3240 2.5591 2.5591 3.0205 3.0205 3.0798 3.0798 3.4292 3.4292 3.7972 3.7972 3.9180 3.9180 4.0408 4.0408 4.1253 4.1253 5.4945 5.4945 5.7542 5.7542 5.8951 5.8951 6.0456 6.0456 6.2444 6.2444 k = 0.0527-0.2381 0.6294 ( 7798 PWs) bands (ev): -9.0332 -9.0332 -8.7114 -8.7114 -8.3163 -8.3163 -8.0318 -8.0318 -7.2345 -7.2345 -7.0561 -7.0561 -5.1274 -5.1274 -4.7959 -4.7959 -0.0602 -0.0602 0.0400 0.0400 0.2992 0.2992 0.6246 0.6246 0.8920 0.8920 1.1085 1.1085 1.5171 1.5171 1.6100 1.6100 2.2579 2.2579 2.4035 2.4035 2.5991 2.5991 3.0667 3.0667 3.1111 3.1111 3.4579 3.4579 3.8127 3.8127 3.9253 3.9253 4.0569 4.0569 4.1297 4.1297 5.3971 5.3971 5.6578 5.6578 5.8486 5.8486 6.0140 6.0140 6.1873 6.1873 k = 0.0461-0.2084 0.6294 ( 7794 PWs) bands (ev): -9.0472 -9.0472 -8.7210 -8.7210 -8.3285 -8.3285 -8.0399 -8.0399 -7.2396 -7.2396 -7.0646 -7.0646 -5.1023 -5.1023 -4.7764 -4.7764 -0.0676 -0.0676 0.0334 0.0334 0.3005 0.3005 0.6458 0.6458 0.9125 0.9125 1.1458 1.1458 1.5135 1.5135 1.6058 1.6058 2.3253 2.3253 2.4772 2.4772 2.6439 2.6439 3.0926 3.0926 3.1632 3.1632 3.4873 3.4873 3.8216 3.8216 3.9247 3.9247 4.0712 4.0712 4.1354 4.1354 5.3026 5.3026 5.5523 5.5523 5.8147 5.8147 5.9915 5.9915 6.1356 6.1356 k = 0.0395-0.1786 0.6294 ( 7794 PWs) bands (ev): -9.0594 -9.0594 -8.7295 -8.7295 -8.3391 -8.3391 -8.0470 -8.0470 -7.2441 -7.2441 -7.0720 -7.0720 -5.0805 -5.0805 -4.7594 -4.7594 -0.0743 -0.0743 0.0272 0.0272 0.3003 0.3003 0.6632 0.6632 0.9321 0.9321 1.1862 1.1862 1.5079 1.5079 1.6015 1.6015 2.3822 2.3822 2.5371 2.5371 2.6998 2.6998 3.1112 3.1112 3.2218 3.2218 3.5166 3.5166 3.8231 3.8231 3.9177 3.9177 4.0820 4.0820 4.1442 4.1442 5.2139 5.2139 5.4457 5.4457 5.7888 5.7888 5.9753 5.9753 6.0902 6.0902 k = 0.0329-0.1488 0.6294 ( 7800 PWs) bands (ev): -9.0699 -9.0699 -8.7368 -8.7368 -8.3480 -8.3480 -8.0530 -8.0530 -7.2479 -7.2479 -7.0782 -7.0782 -5.0620 -5.0620 -4.7451 -4.7451 -0.0801 -0.0801 0.0217 0.0217 0.2992 0.2992 0.6765 0.6765 0.9512 0.9512 1.2270 1.2270 1.5008 1.5008 1.5973 1.5973 2.4283 2.4283 2.5788 2.5788 2.7688 2.7688 3.1265 3.1265 3.2809 3.2809 3.5452 3.5452 3.8159 3.8159 3.9068 3.9068 4.0892 4.0892 4.1563 4.1563 5.1337 5.1337 5.3427 5.3427 5.7693 5.7693 5.9633 5.9633 6.0521 6.0521 k = 0.0264-0.1191 0.6294 ( 7804 PWs) bands (ev): -9.0784 -9.0784 -8.7428 -8.7428 -8.3554 -8.3554 -8.0580 -8.0580 -7.2510 -7.2510 -7.0834 -7.0834 -5.0469 -5.0469 -4.7335 -4.7335 -0.0850 -0.0850 0.0169 0.0169 0.2977 0.2977 0.6860 0.6860 0.9694 0.9694 1.2658 1.2658 1.4924 1.4924 1.5935 1.5935 2.4640 2.4640 2.6057 2.6057 2.8444 2.8444 3.1375 3.1375 3.3386 3.3386 3.5722 3.5722 3.7992 3.7992 3.8944 3.8944 4.0945 4.0945 4.1703 4.1703 5.0649 5.0649 5.2470 5.2470 5.7552 5.7552 5.9542 5.9542 6.0217 6.0217 k = 0.0198-0.0893 0.6294 ( 7810 PWs) bands (ev): -9.0851 -9.0851 -8.7475 -8.7475 -8.3611 -8.3611 -8.0618 -8.0618 -7.2535 -7.2535 -7.0874 -7.0874 -5.0351 -5.0351 -4.7244 -4.7244 -0.0889 -0.0889 0.0130 0.0130 0.2962 0.2962 0.6923 0.6923 0.9854 0.9854 1.3009 1.3009 1.4829 1.4829 1.5902 1.5902 2.4904 2.4904 2.6230 2.6230 2.9182 2.9182 3.1425 3.1425 3.3928 3.3928 3.5968 3.5968 3.7738 3.7738 3.8820 3.8820 4.0999 4.0999 4.1838 4.1838 5.0105 5.0105 5.1624 5.1624 5.7457 5.7457 5.9469 5.9469 5.9991 5.9991 k = 0.0132-0.0595 0.6294 ( 7808 PWs) bands (ev): -9.0899 -9.0899 -8.7509 -8.7509 -8.3652 -8.3652 -8.0646 -8.0646 -7.2553 -7.2553 -7.0902 -7.0902 -5.0266 -5.0266 -4.7179 -4.7179 -0.0917 -0.0917 0.0102 0.0102 0.2950 0.2950 0.6963 0.6963 0.9979 0.9979 1.3301 1.3301 1.4731 1.4731 1.5876 1.5876 2.5085 2.5085 2.6338 2.6338 2.9837 2.9837 3.1396 3.1396 3.4404 3.4404 3.6186 3.6186 3.7428 3.7428 3.8709 3.8709 4.1055 4.1055 4.1950 4.1950 4.9729 4.9729 5.0935 5.0935 5.7397 5.7397 5.9410 5.9410 5.9842 5.9842 k = 0.0066-0.0298 0.6294 ( 7802 PWs) bands (ev): -9.0928 -9.0928 -8.7530 -8.7530 -8.3676 -8.3676 -8.0662 -8.0662 -7.2563 -7.2563 -7.0919 -7.0919 -5.0216 -5.0216 -4.7140 -4.7140 -0.0934 -0.0934 0.0085 0.0085 0.2942 0.2942 0.6984 0.6984 1.0059 1.0059 1.3506 1.3506 1.4646 1.4646 1.5860 1.5860 2.5190 2.5190 2.6398 2.6398 3.0348 3.0348 3.1288 3.1288 3.4757 3.4757 3.6372 3.6372 3.7123 3.7123 3.8630 3.8630 4.1101 4.1101 4.2023 4.2023 4.9527 4.9527 5.0464 5.0464 5.7365 5.7365 5.9370 5.9370 5.9759 5.9759 k = 0.0000 0.0000 0.6294 ( 7802 PWs) bands (ev): -9.0938 -9.0938 -8.7537 -8.7537 -8.3684 -8.3684 -8.0668 -8.0668 -7.2567 -7.2567 -7.0925 -7.0925 -5.0199 -5.0199 -4.7127 -4.7127 -0.0939 -0.0939 0.0079 0.0079 0.2939 0.2939 0.6991 0.6991 1.0087 1.0087 1.3583 1.3583 1.4610 1.4610 1.5854 1.5854 2.5224 2.5224 2.6417 2.6417 3.0583 3.0583 3.1192 3.1192 3.4893 3.4893 3.6473 3.6473 3.6962 3.6962 3.8600 3.8600 4.1119 4.1119 4.2049 4.2049 4.9470 4.9470 5.0290 5.0290 5.7355 5.7355 5.9355 5.9355 5.9733 5.9733 k = 0.0000 0.0000 0.6294 ( 7802 PWs) bands (ev): -9.0938 -9.0938 -8.7537 -8.7537 -8.3684 -8.3684 -8.0668 -8.0668 -7.2567 -7.2567 -7.0925 -7.0925 -5.0199 -5.0199 -4.7127 -4.7127 -0.0939 -0.0939 0.0079 0.0079 0.2939 0.2939 0.6991 0.6991 1.0087 1.0087 1.3583 1.3583 1.4610 1.4610 1.5854 1.5854 2.5224 2.5224 2.6417 2.6417 3.0583 3.0583 3.1192 3.1192 3.4893 3.4893 3.6473 3.6473 3.6962 3.6962 3.8600 3.8600 4.1119 4.1119 4.2049 4.2049 4.9470 4.9470 5.0290 5.0290 5.7355 5.7355 5.9355 5.9355 5.9733 5.9733 k = 0.0283 0.0063 0.6294 ( 7806 PWs) bands (ev): -9.0933 -9.0933 -8.7539 -8.7539 -8.3687 -8.3687 -8.0678 -8.0678 -7.2558 -7.2558 -7.0922 -7.0922 -5.0198 -5.0198 -4.7127 -4.7127 -0.1094 -0.1094 0.0203 0.0203 0.2931 0.2931 0.6972 0.6972 1.0080 1.0080 1.3539 1.3539 1.4481 1.4481 1.6133 1.6133 2.5214 2.5214 2.6422 2.6422 3.0594 3.0594 3.1199 3.1199 3.4902 3.4902 3.6462 3.6462 3.6980 3.6980 3.8581 3.8581 4.1113 4.1113 4.2038 4.2038 4.9468 4.9468 5.0269 5.0269 5.7359 5.7359 5.9328 5.9328 5.9755 5.9755 k = 0.0567 0.0125 0.6294 ( 7810 PWs) bands (ev): -9.0918 -9.0918 -8.7545 -8.7545 -8.3695 -8.3695 -8.0707 -8.0707 -7.2532 -7.2532 -7.0912 -7.0912 -5.0194 -5.0194 -4.7125 -4.7125 -0.1433 -0.1433 0.0449 0.0449 0.2909 0.2909 0.6914 0.6914 1.0061 1.0061 1.3413 1.3413 1.4313 1.4313 1.6742 1.6742 2.5186 2.5186 2.6437 2.6437 3.0625 3.0625 3.1218 3.1218 3.4929 3.4929 3.6435 3.6435 3.7026 3.7026 3.8525 3.8525 4.1097 4.1097 4.2005 4.2005 4.9461 4.9461 5.0210 5.0210 5.7368 5.7368 5.9260 5.9260 5.9802 5.9802 k = 0.0850 0.0188 0.6294 ( 7805 PWs) bands (ev): -9.0893 -9.0893 -8.7557 -8.7557 -8.3708 -8.3708 -8.0755 -8.0755 -7.2489 -7.2489 -7.0896 -7.0896 -5.0187 -5.0187 -4.7123 -4.7123 -0.1839 -0.1839 0.0699 0.0699 0.2873 0.2873 0.6808 0.6808 1.0042 1.0042 1.3262 1.3262 1.4241 1.4241 1.7483 1.7483 2.5144 2.5144 2.6459 2.6459 3.0670 3.0670 3.1254 3.1254 3.4972 3.4972 3.6398 3.6398 3.7087 3.7087 3.8437 3.8437 4.1075 4.1075 4.1950 4.1950 4.9448 4.9448 5.0118 5.0118 5.7382 5.7382 5.9176 5.9176 5.9848 5.9848 k = 0.1133 0.0251 0.6294 ( 7805 PWs) bands (ev): -9.0859 -9.0859 -8.7574 -8.7574 -8.3723 -8.3723 -8.0822 -8.0822 -7.2430 -7.2430 -7.0875 -7.0875 -5.0178 -5.0178 -4.7119 -4.7119 -0.2267 -0.2267 0.0908 0.0908 0.2828 0.2828 0.6650 0.6650 1.0031 1.0031 1.3163 1.3163 1.4244 1.4244 1.8283 1.8283 2.5098 2.5098 2.6483 2.6483 3.0722 3.0722 3.1311 3.1311 3.5030 3.5030 3.6359 3.6359 3.7147 3.7147 3.8326 3.8326 4.1053 4.1053 4.1875 4.1875 4.9429 4.9429 5.0005 5.0005 5.7395 5.7395 5.9085 5.9085 5.9875 5.9875 k = 0.1417 0.0314 0.6294 ( 7797 PWs) bands (ev): -9.0815 -9.0815 -8.7597 -8.7597 -8.3739 -8.3739 -8.0904 -8.0904 -7.2356 -7.2356 -7.0851 -7.0851 -5.0167 -5.0167 -4.7115 -4.7115 -0.2699 -0.2699 0.1055 0.1055 0.2782 0.2782 0.6445 0.6445 1.0033 1.0033 1.3157 1.3157 1.4296 1.4296 1.9102 1.9102 2.5056 2.5056 2.6507 2.6507 3.0772 3.0772 3.1391 3.1391 3.5098 3.5098 3.6320 3.6320 3.7184 3.7184 3.8215 3.8215 4.1035 4.1035 4.1781 4.1781 4.9399 4.9399 4.9886 4.9886 5.7405 5.7405 5.8993 5.8993 5.9868 5.9868 k = 0.1700 0.0376 0.6294 ( 7799 PWs) bands (ev): -9.0764 -9.0764 -8.7627 -8.7627 -8.3753 -8.3753 -8.1001 -8.1001 -7.2271 -7.2271 -7.0826 -7.0826 -5.0155 -5.0155 -4.7109 -4.7109 -0.3124 -0.3124 0.1127 0.1127 0.2742 0.2742 0.6210 0.6210 1.0046 1.0046 1.3246 1.3246 1.4394 1.4394 1.9910 1.9910 2.5030 2.5030 2.6525 2.6525 3.0815 3.0815 3.1497 3.1497 3.5169 3.5169 3.6282 3.6282 3.7169 3.7169 3.8143 3.8143 4.1027 4.1027 4.1671 4.1671 4.9350 4.9350 4.9781 4.9781 5.7407 5.7407 5.8903 5.8903 5.9818 5.9818 k = 0.1983 0.0439 0.6294 ( 7797 PWs) bands (ev): -9.0704 -9.0704 -8.7664 -8.7664 -8.3762 -8.3762 -8.1111 -8.1111 -7.2174 -7.2174 -7.0800 -7.0800 -5.0141 -5.0141 -4.7103 -4.7103 -0.3533 -0.3533 0.1119 0.1119 0.2716 0.2716 0.5963 0.5963 1.0060 1.0060 1.3405 1.3405 1.4548 1.4548 2.0673 2.0673 2.5033 2.5033 2.6536 2.6536 3.0849 3.0849 3.1626 3.1626 3.5232 3.5232 3.6241 3.6241 3.7086 3.7086 3.8140 3.8140 4.1032 4.1032 4.1546 4.1546 4.9273 4.9273 4.9707 4.9707 5.7396 5.7396 5.8814 5.8814 5.9719 5.9719 k = 0.2267 0.0502 0.6294 ( 7794 PWs) bands (ev): -9.0637 -9.0637 -8.7710 -8.7710 -8.3766 -8.3766 -8.1231 -8.1231 -7.2070 -7.2070 -7.0778 -7.0778 -5.0127 -5.0127 -4.7097 -4.7097 -0.3922 -0.3922 0.1037 0.1037 0.2706 0.2706 0.5723 0.5723 1.0070 1.0070 1.3594 1.3594 1.4781 1.4781 2.1356 2.1356 2.5081 2.5081 2.6537 2.6537 3.0878 3.0878 3.1772 3.1772 3.5271 3.5271 3.6197 3.6197 3.6968 3.6968 3.8201 3.8201 4.1053 4.1053 4.1410 4.1410 4.9171 4.9171 4.9670 4.9670 5.7367 5.7367 5.8727 5.8727 5.9570 5.9570 k = 0.2550 0.0564 0.6294 ( 7790 PWs) bands (ev): -9.0565 -9.0565 -8.7763 -8.7763 -8.3761 -8.3761 -8.1358 -8.1358 -7.1959 -7.1959 -7.0759 -7.0759 -5.0112 -5.0112 -4.7090 -4.7090 -0.4283 -0.4283 0.0894 0.0894 0.2710 0.2710 0.5503 0.5503 1.0073 1.0073 1.3769 1.3769 1.5115 1.5115 2.1922 2.1922 2.5192 2.5192 2.6525 2.6525 3.0903 3.0903 3.1925 3.1925 3.5264 3.5264 3.6158 3.6158 3.6864 3.6864 3.8302 3.8302 4.1089 4.1089 4.1266 4.1266 4.9061 4.9061 4.9658 4.9658 5.7311 5.7311 5.8637 5.8637 5.9383 5.9383 k = 0.2833 0.0627 0.6294 ( 7788 PWs) bands (ev): -9.0489 -9.0489 -8.7822 -8.7822 -8.3747 -8.3747 -8.1489 -8.1489 -7.1844 -7.1844 -7.0747 -7.0747 -5.0097 -5.0097 -4.7082 -4.7082 -0.4615 -0.4615 0.0711 0.0711 0.2722 0.2722 0.5311 0.5311 1.0069 1.0069 1.3909 1.3909 1.5545 1.5545 2.2344 2.2344 2.5370 2.5370 2.6504 2.6504 3.0929 3.0929 3.2072 3.2072 3.5204 3.5204 3.6142 3.6142 3.6801 3.6801 3.8422 3.8422 4.1102 4.1102 4.1155 4.1155 4.8956 4.8956 4.9663 4.9663 5.7215 5.7215 5.8537 5.8537 5.9181 5.9181 k = 0.3117 0.0690 0.6294 ( 7780 PWs) bands (ev): -9.0410 -9.0410 -8.7888 -8.7888 -8.3724 -8.3724 -8.1622 -8.1622 -7.1728 -7.1728 -7.0742 -7.0742 -5.0083 -5.0083 -4.7074 -4.7074 -0.4912 -0.4912 0.0509 0.0509 0.2736 0.2736 0.5148 0.5148 1.0060 1.0060 1.4015 1.4015 1.6044 1.6044 2.2616 2.2616 2.5592 2.5592 2.6482 2.6482 3.0959 3.0959 3.2191 3.2191 3.5121 3.5121 3.6157 3.6157 3.6779 3.6779 3.8548 3.8548 4.0956 4.0956 4.1212 4.1212 4.8868 4.8868 4.9675 4.9675 5.7061 5.7061 5.8422 5.8422 5.9001 5.9001 k = 0.3400 0.0752 0.6294 ( 7782 PWs) bands (ev): -9.0330 -9.0330 -8.7957 -8.7957 -8.3691 -8.3691 -8.1752 -8.1752 -7.1612 -7.1612 -7.0746 -7.0746 -5.0071 -5.0071 -4.7067 -4.7067 -0.5173 -0.5173 0.0304 0.0304 0.2749 0.2749 0.5013 0.5013 1.0048 1.0048 1.4097 1.4097 1.6578 1.6578 2.2764 2.2764 2.5795 2.5795 2.6486 2.6486 3.0997 3.0997 3.2256 3.2256 3.5068 3.5068 3.6197 3.6197 3.6783 3.6783 3.8672 3.8672 4.0803 4.0803 4.1285 4.1285 4.8803 4.8803 4.9688 4.9688 5.6835 5.6835 5.8299 5.8299 5.8871 5.8871 k = 0.3683 0.0815 0.6294 ( 7774 PWs) bands (ev): -9.0254 -9.0254 -8.8027 -8.8027 -8.3652 -8.3652 -8.1876 -8.1876 -7.1499 -7.1499 -7.0761 -7.0761 -5.0060 -5.0060 -4.7059 -4.7059 -0.5395 -0.5395 0.0112 0.0112 0.2761 0.2761 0.4906 0.4906 1.0035 1.0035 1.4160 1.4160 1.7113 1.7113 2.2823 2.2823 2.5893 2.5893 2.6567 2.6567 3.1045 3.1045 3.2251 3.2251 3.5081 3.5081 3.6248 3.6248 3.6802 3.6802 3.8789 3.8789 4.0652 4.0652 4.1360 4.1360 4.8765 4.8765 4.9699 4.9699 5.6545 5.6545 5.8189 5.8189 5.8790 5.8790 k = 0.3966 0.0878 0.6294 ( 7784 PWs) bands (ev): -9.0183 -9.0183 -8.8094 -8.8094 -8.3610 -8.3610 -8.1987 -8.1987 -7.1391 -7.1391 -7.0787 -7.0787 -5.0051 -5.0051 -4.7052 -4.7052 -0.5576 -0.5576 -0.0057 -0.0057 0.2769 0.2769 0.4824 0.4824 1.0023 1.0023 1.4209 1.4209 1.7614 1.7614 2.2829 2.2829 2.5874 2.5874 2.6712 2.6712 3.1107 3.1107 3.2179 3.2179 3.5162 3.5162 3.6301 3.6301 3.6826 3.6826 3.8895 3.8895 4.0509 4.0509 4.1429 4.1429 4.8755 4.8755 4.9702 4.9702 5.6225 5.6225 5.8107 5.8107 5.8742 5.8742 k = 0.4250 0.0941 0.6294 ( 7785 PWs) bands (ev): -9.0122 -9.0122 -8.8153 -8.8153 -8.3569 -8.3569 -8.2080 -8.2080 -7.1290 -7.1290 -7.0825 -7.0825 -5.0045 -5.0045 -4.7046 -4.7046 -0.5714 -0.5714 -0.0192 -0.0192 0.2775 0.2775 0.4765 0.4765 1.0013 1.0013 1.4245 1.4245 1.8041 1.8041 2.2813 2.2813 2.5800 2.5800 2.6858 2.6858 3.1184 3.1184 3.2064 3.2064 3.5278 3.5278 3.6348 3.6348 3.6851 3.6851 3.8989 3.8989 4.0380 4.0380 4.1487 4.1487 4.8768 4.8768 4.9696 4.9696 5.5924 5.5924 5.8054 5.8054 5.8714 5.8714 k = 0.4533 0.1003 0.6294 ( 7788 PWs) bands (ev): -9.0076 -9.0076 -8.8200 -8.8200 -8.3535 -8.3535 -8.2148 -8.2148 -7.1197 -7.1197 -7.0874 -7.0874 -5.0041 -5.0041 -4.7041 -4.7041 -0.5809 -0.5809 -0.0289 -0.0289 0.2779 0.2779 0.4728 0.4728 1.0006 1.0006 1.4269 1.4269 1.8349 1.8349 2.2807 2.2807 2.5716 2.5716 2.6965 2.6965 3.1276 3.1276 3.1933 3.1933 3.5388 3.5388 3.6382 3.6382 3.6876 3.6876 3.9064 3.9064 4.0273 4.0273 4.1527 4.1527 4.8796 4.8796 4.9684 4.9684 5.5688 5.5688 5.8025 5.8025 5.8698 5.8698 k = 0.4816 0.1066 0.6294 ( 7794 PWs) bands (ev): -9.0047 -9.0047 -8.8230 -8.8230 -8.3515 -8.3515 -8.2184 -8.2184 -7.1113 -7.1113 -7.0935 -7.0935 -5.0040 -5.0040 -4.7037 -4.7037 -0.5860 -0.5860 -0.0343 -0.0343 0.2780 0.2780 0.4712 0.4712 1.0003 1.0003 1.4282 1.4282 1.8497 1.8497 2.2839 2.2839 2.5648 2.5648 2.7020 2.7020 3.1377 3.1377 3.1811 3.1811 3.5458 3.5458 3.6397 3.6397 3.6899 3.6899 3.9112 3.9112 4.0201 4.0201 4.1545 4.1545 4.8826 4.8826 4.9670 4.9670 5.5553 5.5553 5.8016 5.8016 5.8687 5.8687 k = 0.5000 0.1107-0.6137 ( 7788 PWs) bands (ev): -9.0038 -9.0038 -8.8236 -8.8236 -8.3515 -8.3515 -8.2193 -8.2193 -7.1034 -7.1034 -7.1010 -7.1010 -5.0037 -5.0037 -4.7032 -4.7032 -0.5868 -0.5868 -0.0356 -0.0356 0.2774 0.2774 0.4703 0.4703 1.0001 1.0001 1.4283 1.4283 1.8505 1.8505 2.2882 2.2882 2.5625 2.5625 2.7027 2.7027 3.1488 3.1488 3.1713 3.1713 3.5488 3.5488 3.6403 3.6403 3.6906 3.6906 3.9145 3.9145 4.0164 4.0164 4.1546 4.1546 4.8825 4.8825 4.9644 4.9644 5.5529 5.5529 5.8012 5.8012 5.8673 5.8673 k = 0.5065 0.0814-0.6137 ( 7784 PWs) bands (ev): -9.0029 -9.0029 -8.8228 -8.8228 -8.3509 -8.3509 -8.2187 -8.2187 -7.1028 -7.1028 -7.1007 -7.1007 -5.0053 -5.0053 -4.7045 -4.7045 -0.5859 -0.5859 -0.0353 -0.0353 0.2776 0.2776 0.4708 0.4708 0.9964 0.9964 1.4235 1.4235 1.8506 1.8506 2.2861 2.2861 2.5597 2.5597 2.6969 2.6969 3.1373 3.1373 3.1796 3.1796 3.5434 3.5434 3.6226 3.6226 3.7045 3.7045 3.9091 3.9091 4.0150 4.0150 4.1546 4.1546 4.8863 4.8863 4.9859 4.9859 5.5531 5.5531 5.8010 5.8010 5.8724 5.8724 k = 0.5130 0.0521-0.6137 ( 7790 PWs) bands (ev): -9.0001 -9.0001 -8.8206 -8.8206 -8.3492 -8.3492 -8.2168 -8.2168 -7.1013 -7.1013 -7.0996 -7.0996 -5.0101 -5.0101 -4.7084 -4.7084 -0.5834 -0.5834 -0.0343 -0.0343 0.2784 0.2784 0.4721 0.4721 0.9857 0.9857 1.4097 1.4097 1.8508 1.8508 2.2796 2.2796 2.5510 2.5510 2.6802 2.6802 3.1176 3.1176 3.1902 3.1902 3.5252 3.5252 3.5925 3.5925 3.7243 3.7243 3.8954 3.8954 4.0108 4.0108 4.1545 4.1545 4.9053 4.9053 5.0402 5.0402 5.5537 5.5537 5.8013 5.8013 5.8870 5.8870 k = 0.5194 0.0229-0.6137 ( 7800 PWs) bands (ev): -8.9953 -8.9953 -8.8169 -8.8169 -8.3462 -8.3462 -8.2136 -8.2136 -7.0989 -7.0989 -7.0977 -7.0977 -5.0181 -5.0181 -4.7149 -4.7149 -0.5793 -0.5793 -0.0327 -0.0327 0.2796 0.2796 0.4744 0.4744 0.9684 0.9684 1.3872 1.3872 1.8510 1.8510 2.2676 2.2676 2.5355 2.5355 2.6537 2.6537 3.0970 3.0970 3.1967 3.1967 3.4917 3.4917 3.5653 3.5653 3.7360 3.7360 3.8784 3.8784 4.0042 4.0042 4.1545 4.1545 4.9455 4.9455 5.1151 5.1151 5.5551 5.5551 5.8040 5.8040 5.9098 5.9098 k = 0.5259-0.0064-0.6137 ( 7792 PWs) bands (ev): -8.9888 -8.9888 -8.8118 -8.8118 -8.3420 -8.3420 -8.2092 -8.2092 -7.0960 -7.0960 -7.0946 -7.0946 -5.0292 -5.0292 -4.7240 -4.7240 -0.5735 -0.5735 -0.0305 -0.0305 0.2809 0.2809 0.4773 0.4773 0.9455 0.9455 1.3571 1.3571 1.8511 1.8511 2.2488 2.2488 2.5120 2.5120 2.6207 2.6207 3.0765 3.0765 3.1977 3.1977 3.4473 3.4473 3.5415 3.5415 3.7341 3.7341 3.8621 3.8621 3.9977 3.9977 4.1554 4.1554 5.0056 5.0056 5.2031 5.2031 5.5583 5.5583 5.8105 5.8105 5.9398 5.9398 k = 0.5324-0.0356-0.6137 ( 7788 PWs) bands (ev): -8.9803 -8.9803 -8.8053 -8.8053 -8.3366 -8.3366 -8.2035 -8.2035 -7.0927 -7.0927 -7.0901 -7.0901 -5.0436 -5.0436 -4.7358 -4.7358 -0.5660 -0.5660 -0.0277 -0.0277 0.2821 0.2821 0.4808 0.4808 0.9182 0.9182 1.3205 1.3205 1.8509 1.8509 2.2208 2.2208 2.4789 2.4789 2.5859 2.5859 3.0555 3.0555 3.1920 3.1920 3.4007 3.4007 3.5180 3.5180 3.7178 3.7178 3.8453 3.8453 3.9948 3.9948 4.1574 4.1574 5.0813 5.0813 5.2986 5.2986 5.5649 5.5649 5.8220 5.8220 5.9767 5.9767 k = 0.5389-0.0649-0.6137 ( 7786 PWs) bands (ev): -8.9701 -8.9701 -8.7974 -8.7974 -8.3300 -8.3300 -8.1966 -8.1966 -7.0889 -7.0889 -7.0845 -7.0845 -5.0611 -5.0611 -4.7501 -4.7501 -0.5570 -0.5570 -0.0246 -0.0246 0.2827 0.2827 0.4847 0.4847 0.8878 0.8878 1.2790 1.2790 1.8498 1.8498 2.1816 2.1816 2.4367 2.4367 2.5531 2.5531 3.0319 3.0319 3.1780 3.1780 3.3597 3.3597 3.4936 3.4936 3.6906 3.6906 3.8240 3.8240 3.9972 3.9972 4.1600 4.1600 5.1680 5.1680 5.3950 5.3950 5.5794 5.5794 5.8395 5.8395 6.0199 6.0199 k = 0.5453-0.0942-0.6137 ( 7782 PWs) bands (ev): -8.9581 -8.9581 -8.7881 -8.7881 -8.3222 -8.3222 -8.1885 -8.1885 -7.0846 -7.0846 -7.0779 -7.0779 -5.0818 -5.0818 -4.7671 -4.7671 -0.5464 -0.5464 -0.0211 -0.0211 0.2820 0.2820 0.4888 0.4888 0.8556 0.8556 1.2340 1.2340 1.8472 1.8472 2.1298 2.1298 2.3881 2.3881 2.5232 2.5232 3.0034 3.0034 3.1553 3.1553 3.3295 3.3295 3.4684 3.4684 3.6568 3.6568 3.7967 3.7967 4.0033 4.0033 4.1622 4.1622 5.2606 5.2606 5.4788 5.4788 5.6145 5.6145 5.8635 5.8635 6.0688 6.0688 k = 0.5518-0.1234-0.6137 ( 7780 PWs) bands (ev): -8.9444 -8.9444 -8.7775 -8.7775 -8.3133 -8.3133 -8.1792 -8.1792 -7.0796 -7.0796 -7.0702 -7.0702 -5.1056 -5.1056 -4.7868 -4.7868 -0.5343 -0.5343 -0.0174 -0.0174 0.2793 0.2793 0.4927 0.4927 0.8231 0.8231 1.1873 1.1873 1.8416 1.8416 2.0671 2.0671 2.3351 2.3351 2.4959 2.4959 2.9685 2.9685 3.1263 3.1263 3.3103 3.3103 3.4424 3.4424 3.6187 3.6187 3.7651 3.7651 4.0095 4.0095 4.1634 4.1634 5.3522 5.3522 5.5350 5.5350 5.6876 5.6876 5.8944 5.8944 6.1227 6.1227 k = 0.5583-0.1527-0.6137 ( 7778 PWs) bands (ev): -8.9290 -8.9290 -8.7657 -8.7657 -8.3031 -8.3031 -8.1688 -8.1688 -7.0741 -7.0741 -7.0614 -7.0614 -5.1326 -5.1326 -4.8090 -4.8090 -0.5208 -0.5208 -0.0138 -0.0138 0.2738 0.2738 0.4965 0.4965 0.7912 0.7912 1.1404 1.1404 1.8296 1.8296 1.9986 1.9986 2.2784 2.2784 2.4707 2.4707 2.9281 2.9281 3.0945 3.0945 3.2990 3.2990 3.4161 3.4161 3.5775 3.5775 3.7318 3.7318 4.0127 4.0127 4.1633 4.1633 5.4298 5.4298 5.5850 5.5850 5.7864 5.7864 5.9324 5.9324 6.1800 6.1800 k = 0.5648-0.1819-0.6137 ( 7780 PWs) bands (ev): -8.9120 -8.9120 -8.7527 -8.7527 -8.2918 -8.2918 -8.1572 -8.1572 -7.0681 -7.0681 -7.0517 -7.0517 -5.1625 -5.1625 -4.8339 -4.8339 -0.5058 -0.5058 -0.0104 -0.0104 0.2646 0.2646 0.5000 0.5000 0.7605 0.7605 1.0955 1.0955 1.8029 1.8029 1.9354 1.9354 2.2178 2.2178 2.4468 2.4468 2.8844 2.8844 3.0614 3.0614 3.2923 3.2923 3.3895 3.3895 3.5338 3.5338 3.6992 3.6992 4.0106 4.0106 4.1619 4.1619 5.4779 5.4779 5.6591 5.6591 5.8912 5.8912 5.9785 5.9785 6.2393 6.2393 k = 0.5712-0.2112-0.6137 ( 7780 PWs) bands (ev): -8.8934 -8.8934 -8.7386 -8.7386 -8.2792 -8.2792 -8.1444 -8.1444 -7.0615 -7.0615 -7.0409 -7.0409 -5.1954 -5.1954 -4.8614 -4.8614 -0.4895 -0.4895 -0.0076 -0.0076 0.2511 0.2511 0.5031 0.5031 0.7307 0.7307 1.0547 1.0547 1.7500 1.7500 1.8911 1.8911 2.1539 2.1539 2.4239 2.4239 2.8399 2.8399 3.0271 3.0271 3.2874 3.2874 3.3623 3.3623 3.4881 3.4881 3.6688 3.6688 4.0023 4.0023 4.1595 4.1595 5.5030 5.5030 5.7549 5.7549 5.9845 5.9845 6.0417 6.0417 6.2987 6.2987 k = 0.5777-0.2405-0.6137 ( 7778 PWs) bands (ev): -8.8734 -8.8734 -8.7235 -8.7235 -8.2654 -8.2654 -8.1306 -8.1306 -7.0545 -7.0545 -7.0292 -7.0292 -5.2313 -5.2313 -4.8915 -4.8915 -0.4720 -0.4720 -0.0058 -0.0058 0.2333 0.2333 0.5058 0.5058 0.7010 0.7010 1.0199 1.0199 1.6754 1.6754 1.8626 1.8626 2.0884 2.0884 2.4014 2.4014 2.7960 2.7960 2.9919 2.9919 3.2816 3.2816 3.3348 3.3348 3.4423 3.4423 3.6419 3.6419 3.9878 3.9878 4.1560 4.1560 5.5185 5.5185 5.8592 5.8592 6.0484 6.0484 6.1354 6.1354 6.3568 6.3568 k = 0.5842-0.2697-0.6137 ( 7768 PWs) bands (ev): -8.8520 -8.8520 -8.7075 -8.7075 -8.2505 -8.2505 -8.1158 -8.1158 -7.0471 -7.0471 -7.0164 -7.0164 -5.2700 -5.2700 -4.9242 -4.9242 -0.4533 -0.4533 -0.0056 -0.0056 0.2117 0.2117 0.5076 0.5076 0.6699 0.6699 0.9932 0.9932 1.5927 1.5927 1.8368 1.8368 2.0238 2.0238 2.3795 2.3795 2.7533 2.7533 2.9565 2.9565 3.2676 3.2676 3.3102 3.3102 3.3997 3.3997 3.6185 3.6185 3.9677 3.9677 4.1511 4.1511 5.5304 5.5304 5.9642 5.9642 6.1000 6.1000 6.2392 6.2392 6.4136 6.4136 k = 0.5907-0.2990-0.6137 ( 7778 PWs) bands (ev): -8.8293 -8.8293 -8.6906 -8.6906 -8.2343 -8.2343 -8.0999 -8.0999 -7.0393 -7.0393 -7.0026 -7.0026 -5.3114 -5.3114 -4.9593 -4.9593 -0.4337 -0.4337 -0.0077 -0.0077 0.1874 0.1874 0.5076 0.5076 0.6369 0.6369 0.9752 0.9752 1.5094 1.5094 1.8055 1.8055 1.9637 1.9637 2.3582 2.3582 2.7112 2.7112 2.9221 2.9221 3.2350 3.2350 3.2940 3.2940 3.3654 3.3654 3.5985 3.5985 3.9435 3.9435 4.1443 4.1443 5.5411 5.5411 6.0616 6.0616 6.1526 6.1526 6.3415 6.3415 6.4702 6.4702 k = 0.5971-0.3282-0.6137 ( 7788 PWs) bands (ev): -8.8055 -8.8055 -8.6729 -8.6729 -8.2168 -8.2168 -8.0831 -8.0831 -7.0312 -7.0312 -6.9879 -6.9879 -5.3554 -5.3554 -4.9968 -4.9968 -0.4131 -0.4131 -0.0132 -0.0132 0.1622 0.1622 0.5033 0.5033 0.6032 0.6032 0.9655 0.9655 1.4296 1.4296 1.7644 1.7644 1.9116 1.9116 2.3380 2.3380 2.6690 2.6690 2.8899 2.8899 3.1877 3.1877 3.2784 3.2784 3.3436 3.3436 3.5814 3.5814 3.9166 3.9166 4.1355 4.1355 5.5515 5.5515 6.1333 6.1333 6.2227 6.2227 6.4385 6.4385 6.5284 6.5284 k = 0.6036-0.3575-0.6137 ( 7786 PWs) bands (ev): -8.7808 -8.7808 -8.6547 -8.6547 -8.1981 -8.1981 -8.0654 -8.0654 -7.0228 -7.0228 -6.9721 -6.9721 -5.4020 -5.4020 -5.0367 -5.0367 -0.3918 -0.3918 -0.0234 -0.0234 0.1380 0.1380 0.4902 0.4902 0.5726 0.5726 0.9626 0.9626 1.3566 1.3566 1.7137 1.7137 1.8677 1.8677 2.3193 2.3193 2.6263 2.6263 2.8605 2.8605 3.1330 3.1330 3.2572 3.2572 3.3340 3.3340 3.5667 3.5667 3.8881 3.8881 4.1243 4.1243 5.5621 5.5621 6.1749 6.1749 6.3133 6.3133 6.5270 6.5270 6.5900 6.5900 k = 0.6101-0.3868-0.6137 ( 7780 PWs) bands (ev): -8.7551 -8.7551 -8.6360 -8.6360 -8.1781 -8.1781 -8.0469 -8.0469 -7.0141 -7.0141 -6.9553 -6.9553 -5.4508 -5.4508 -5.0789 -5.0789 -0.3699 -0.3699 -0.0393 -0.0393 0.1161 0.1161 0.4631 0.4631 0.5500 0.5500 0.9641 0.9641 1.2932 1.2932 1.6576 1.6576 1.8291 1.8291 2.3020 2.3020 2.5831 2.5831 2.8341 2.8341 3.0754 3.0754 3.2321 3.2321 3.3314 3.3314 3.5538 3.5538 3.8593 3.8593 4.1109 4.1109 5.5731 5.5731 6.2022 6.2022 6.4077 6.4077 6.6039 6.6039 6.6562 6.6562 k = 0.6166-0.4160-0.6137 ( 7786 PWs) bands (ev): -8.7287 -8.7287 -8.6169 -8.6169 -8.1569 -8.1569 -8.0276 -8.0276 -7.0053 -7.0053 -6.9375 -6.9375 -5.5017 -5.5017 -5.1231 -5.1231 -0.3477 -0.3477 -0.0612 -0.0612 0.0973 0.0973 0.4234 0.4234 0.5335 0.5335 0.9674 0.9674 1.2421 1.2421 1.6006 1.6006 1.7929 1.7929 2.2856 2.2856 2.5400 2.5400 2.8099 2.8099 3.0176 3.0176 3.2054 3.2054 3.3319 3.3319 3.5422 3.5422 3.8310 3.8310 4.0951 4.0951 5.5847 5.5847 6.2222 6.2222 6.4983 6.4983 6.6690 6.6690 6.7246 6.7246 k = 0.6230-0.4453-0.6137 ( 7788 PWs) bands (ev): -8.7018 -8.7018 -8.5976 -8.5976 -8.1343 -8.1343 -8.0077 -8.0077 -6.9964 -6.9964 -6.9187 -6.9187 -5.5546 -5.5546 -5.1694 -5.1694 -0.3255 -0.3255 -0.0883 -0.0883 0.0808 0.0808 0.3765 0.3765 0.5180 0.5180 0.9696 0.9696 1.2058 1.2058 1.5460 1.5460 1.7581 1.7581 2.2691 2.2691 2.4983 2.4983 2.7869 2.7869 2.9620 2.9620 3.1784 3.1784 3.3336 3.3336 3.5316 3.5316 3.8039 3.8039 4.0773 4.0773 5.5970 5.5970 6.2372 6.2372 6.5815 6.5815 6.7260 6.7260 6.7890 6.7890 k = 0.6295-0.4745-0.6137 ( 7780 PWs) bands (ev): -8.6746 -8.6746 -8.5783 -8.5783 -8.1103 -8.1103 -7.9871 -7.9871 -6.9874 -6.9874 -6.8989 -6.8989 -5.6092 -5.6092 -5.2175 -5.2175 -0.3035 -0.3035 -0.1193 -0.1193 0.0650 0.0650 0.3253 0.3253 0.5008 0.5008 0.9688 0.9688 1.1853 1.1853 1.4962 1.4962 1.7247 1.7247 2.2514 2.2514 2.4592 2.4592 2.7634 2.7634 2.9106 2.9106 3.1518 3.1518 3.3358 3.3358 3.5216 3.5216 3.7785 3.7785 4.0577 4.0577 5.6101 5.6101 6.2487 6.2487 6.6544 6.6544 6.7776 6.7776 6.8447 6.8447 k = 0.6360-0.5038-0.6137 ( 7784 PWs) bands (ev): -8.6472 -8.6472 -8.5590 -8.5590 -8.0850 -8.0850 -7.9660 -7.9660 -6.9783 -6.9783 -6.8780 -6.8780 -5.6653 -5.6653 -5.2672 -5.2672 -0.2821 -0.2821 -0.1526 -0.1526 0.0483 0.0483 0.2714 0.2714 0.4818 0.4818 0.9644 0.9644 1.1789 1.1789 1.4526 1.4526 1.6937 1.6937 2.2313 2.2313 2.4235 2.4235 2.7383 2.7383 2.8651 2.8651 3.1263 3.1263 3.3379 3.3379 3.5121 3.5121 3.7550 3.7550 4.0365 4.0365 5.6239 5.6239 6.2574 6.2574 6.7135 6.7135 6.8254 6.8254 6.8877 6.8877 k = 0.6425-0.5331-0.6137 ( 7778 PWs) bands (ev): -8.6199 -8.6199 -8.5400 -8.5400 -8.0584 -8.0584 -7.9445 -7.9445 -6.9691 -6.9691 -6.8562 -6.8562 -5.7225 -5.7225 -5.3184 -5.3184 -0.2622 -0.2622 -0.1870 -0.1870 0.0293 0.0293 0.2162 0.2162 0.4620 0.4620 0.9575 0.9575 1.1823 1.1823 1.4168 1.4168 1.6662 1.6662 2.2084 2.2084 2.3914 2.3914 2.7112 2.7112 2.8268 2.8268 3.1027 3.1027 3.3395 3.3395 3.5027 3.5027 3.7337 3.7337 4.0141 4.0141 5.6387 5.6387 6.2639 6.2639 6.7560 6.7560 6.8703 6.8703 6.9158 6.9158 k = 0.6489-0.5623-0.6137 ( 7790 PWs) bands (ev): -8.5928 -8.5928 -8.5215 -8.5215 -8.0304 -8.0304 -7.9227 -7.9227 -6.9600 -6.9600 -6.8333 -6.8333 -5.7807 -5.7807 -5.3708 -5.3708 -0.2470 -0.2470 -0.2190 -0.2190 0.0063 0.0063 0.1611 0.1611 0.4429 0.4429 0.9490 0.9490 1.1908 1.1908 1.3899 1.3899 1.6437 1.6437 2.1835 2.1835 2.3618 2.3618 2.6829 2.6829 2.7953 2.7953 3.0814 3.0814 3.3403 3.3403 3.4934 3.4934 3.7144 3.7144 3.9910 3.9910 5.6542 5.6542 6.2685 6.2685 6.7813 6.7813 6.9088 6.9088 6.9342 6.9342 k = 0.6554-0.5916-0.6137 ( 7786 PWs) bands (ev): -8.5662 -8.5662 -8.5035 -8.5035 -8.0012 -8.0012 -7.9008 -7.9008 -6.9509 -6.9509 -6.8095 -6.8095 -5.8395 -5.8395 -5.4243 -5.4243 -0.2645 -0.2645 -0.2208 -0.2208 -0.0219 -0.0219 0.1082 0.1082 0.4259 0.4259 0.9394 0.9394 1.2001 1.2001 1.3733 1.3733 1.6271 1.6271 2.1579 2.1579 2.3334 2.3334 2.6555 2.6555 2.7697 2.7697 3.0627 3.0627 3.3401 3.3401 3.4841 3.4841 3.6971 3.6971 3.9676 3.9676 5.6706 5.6706 6.2716 6.2716 6.7913 6.7913 6.9247 6.9247 6.9597 6.9597 k = 0.6619-0.6208-0.6137 ( 7772 PWs) bands (ev): -8.5403 -8.5403 -8.4863 -8.4863 -7.9708 -7.9708 -7.8788 -7.8788 -6.9417 -6.9417 -6.7848 -6.7848 -5.8986 -5.8986 -5.4786 -5.4786 -0.2992 -0.2992 -0.2084 -0.2084 -0.0564 -0.0564 0.0595 0.0595 0.4120 0.4120 0.9282 0.9282 1.2075 1.2075 1.3671 1.3671 1.6177 1.6177 2.1334 2.1334 2.3051 2.3051 2.6303 2.6303 2.7489 2.7489 3.0466 3.0466 3.3387 3.3387 3.4749 3.4749 3.6816 3.6816 3.9444 3.9444 5.6879 5.6879 6.2733 6.2733 6.7886 6.7886 6.9212 6.9212 6.9887 6.9887 k = 0.6684-0.6501-0.6137 ( 7768 PWs) bands (ev): -8.5152 -8.5152 -8.4700 -8.4700 -7.9394 -7.9394 -7.8571 -7.8571 -6.9325 -6.9325 -6.7593 -6.7593 -5.9574 -5.9574 -5.5334 -5.5334 -0.3348 -0.3348 -0.1999 -0.1999 -0.0957 -0.0957 0.0161 0.0161 0.4018 0.4018 0.9151 0.9151 1.2128 1.2128 1.3701 1.3701 1.6158 1.6158 2.1114 2.1114 2.2767 2.2767 2.6073 2.6073 2.7330 2.7330 3.0329 3.0329 3.3358 3.3358 3.4657 3.4657 3.6677 3.6677 3.9219 3.9219 5.7060 5.7060 6.2738 6.2738 6.7753 6.7753 6.9076 6.9076 7.0116 7.0116 k = 0.6748-0.6794-0.6137 ( 7762 PWs) bands (ev): -8.4910 -8.4910 -8.4549 -8.4549 -7.9072 -7.9072 -7.8356 -7.8356 -6.9231 -6.9231 -6.7332 -6.7332 -6.0156 -6.0156 -5.5885 -5.5885 -0.3702 -0.3702 -0.2026 -0.2026 -0.1320 -0.1320 -0.0229 -0.0229 0.3956 0.3956 0.9000 0.9000 1.2173 1.2173 1.3791 1.3791 1.6215 1.6215 2.0929 2.0929 2.2493 2.2493 2.5860 2.5860 2.7220 2.7220 3.0212 3.0212 3.3312 3.3312 3.4568 3.4568 3.6549 3.6549 3.9006 3.9006 5.7249 5.7249 6.2733 6.2733 6.7532 6.7532 6.8860 6.8860 7.0267 7.0267 k = 0.6813-0.7086-0.6137 ( 7764 PWs) bands (ev): -8.4681 -8.4681 -8.4410 -8.4410 -7.8744 -7.8744 -7.8147 -7.8147 -6.9134 -6.9134 -6.7068 -6.7068 -6.0724 -6.0724 -5.6437 -5.6437 -0.4048 -0.4048 -0.2293 -0.2293 -0.1502 -0.1502 -0.0593 -0.0593 0.3936 0.3936 0.8829 0.8829 1.2230 1.2230 1.3911 1.3911 1.6342 1.6342 2.0784 2.0784 2.2245 2.2245 2.5658 2.5658 2.7160 2.7160 3.0109 3.0109 3.3249 3.3249 3.4482 3.4482 3.6429 3.6429 3.8812 3.8812 5.7447 5.7447 6.2718 6.2718 6.7240 6.7240 6.8574 6.8574 7.0340 7.0340 k = 0.6878-0.7379-0.6137 ( 7770 PWs) bands (ev): -8.4464 -8.4464 -8.4286 -8.4286 -7.8414 -7.8414 -7.7944 -7.7944 -6.9034 -6.9034 -6.6806 -6.6806 -6.1271 -6.1271 -5.6986 -5.6986 -0.4383 -0.4383 -0.2735 -0.2735 -0.1549 -0.1549 -0.0946 -0.0946 0.3956 0.3956 0.8643 0.8643 1.2311 1.2311 1.4039 1.4039 1.6530 1.6530 2.0677 2.0677 2.2043 2.2043 2.5466 2.5466 2.7145 2.7145 3.0017 3.0017 3.3170 3.3170 3.4404 3.4404 3.6312 3.6312 3.8642 3.8642 5.7651 5.7651 6.2694 6.2694 6.6890 6.6890 6.8227 6.8227 7.0338 7.0338 k = 0.6943-0.7671-0.6137 ( 7774 PWs) bands (ev): -8.4262 -8.4262 -8.4176 -8.4176 -7.8085 -7.8085 -7.7751 -7.7751 -6.8926 -6.8926 -6.6556 -6.6556 -6.1783 -6.1783 -5.7530 -5.7530 -0.4703 -0.4703 -0.3218 -0.3218 -0.1583 -0.1583 -0.1291 -0.1291 0.4013 0.4013 0.8446 0.8446 1.2420 1.2420 1.4165 1.4165 1.6763 1.6763 2.0603 2.0603 2.1912 2.1912 2.5288 2.5288 2.7166 2.7166 2.9930 2.9930 3.3075 3.3075 3.4333 3.4333 3.6195 3.6195 3.8500 3.8500 5.7862 5.7862 6.2661 6.2661 6.6494 6.6494 6.7829 6.7829 7.0267 7.0267 k = 0.7007-0.7964-0.6137 ( 7770 PWs) bands (ev): -8.4097 -8.4097 -8.4062 -8.4062 -7.7764 -7.7764 -7.7569 -7.7569 -6.8810 -6.8810 -6.6332 -6.6332 -6.2243 -6.2243 -5.8065 -5.8065 -0.5005 -0.5005 -0.3698 -0.3698 -0.1709 -0.1709 -0.1560 -0.1560 0.4102 0.4102 0.8245 0.8245 1.2557 1.2557 1.4287 1.4287 1.7024 1.7024 2.0557 2.0557 2.1869 2.1869 2.5130 2.5130 2.7213 2.7213 2.9845 2.9845 3.2969 3.2969 3.4271 3.4271 3.6075 3.6075 3.8388 3.8388 5.8078 5.8078 6.2619 6.2619 6.6064 6.6064 6.7392 6.7392 7.0130 7.0130 k = 0.7072-0.8257-0.6137 ( 7772 PWs) bands (ev): -8.4019 -8.4019 -8.3895 -8.3895 -7.7456 -7.7456 -7.7399 -7.7399 -6.8680 -6.8680 -6.6160 -6.6160 -6.2623 -6.2623 -5.8591 -5.8591 -0.5285 -0.5285 -0.4158 -0.4158 -0.2032 -0.2032 -0.1654 -0.1654 0.4219 0.4219 0.8043 0.8043 1.2715 1.2715 1.4409 1.4409 1.7296 1.7296 2.0544 2.0544 2.1920 2.1920 2.4999 2.4999 2.7277 2.7277 2.9757 2.9757 3.2855 3.2855 3.4219 3.4219 3.5953 3.5953 3.8308 3.8308 5.8299 5.8299 6.2569 6.2569 6.5610 6.5610 6.6925 6.6925 6.9931 6.9931 k = 0.7137-0.8549-0.6137 ( 7774 PWs) bands (ev): -8.3967 -8.3967 -8.3739 -8.3739 -7.7246 -7.7246 -7.7166 -7.7166 -6.8534 -6.8534 -6.6076 -6.6076 -6.2884 -6.2884 -5.9102 -5.9102 -0.5540 -0.5540 -0.4590 -0.4590 -0.2384 -0.2384 -0.1742 -0.1742 0.4358 0.4358 0.7845 0.7845 1.2885 1.2885 1.4536 1.4536 1.7565 1.7565 2.0575 2.0575 2.2061 2.2061 2.4901 2.4901 2.7350 2.7350 2.9665 2.9665 3.2739 3.2739 3.4178 3.4178 3.5828 3.5828 3.8256 3.8256 5.8522 5.8522 6.2509 6.2509 6.5141 6.5141 6.6439 6.6439 6.9669 6.9669 k = 0.7202-0.8842-0.6137 ( 7782 PWs) bands (ev): -8.3938 -8.3938 -8.3598 -8.3598 -7.7108 -7.7108 -7.6903 -7.6903 -6.8367 -6.8367 -6.6114 -6.6114 -6.2989 -6.2989 -5.9597 -5.9597 -0.5768 -0.5768 -0.4990 -0.4990 -0.2738 -0.2738 -0.1843 -0.1843 0.4514 0.4514 0.7651 0.7651 1.3056 1.3056 1.4680 1.4680 1.7819 1.7819 2.0663 2.0663 2.2277 2.2277 2.4843 2.4843 2.7427 2.7427 2.9567 2.9567 3.2626 3.2626 3.4149 3.4149 3.5703 3.5703 3.8231 3.8231 5.8744 5.8744 6.2438 6.2438 6.4667 6.4667 6.5944 6.5944 6.9343 6.9343 k = 0.2798-1.2644-0.0000 ( 7782 PWs) bands (ev): -8.3938 -8.3938 -8.3598 -8.3598 -7.7108 -7.7108 -7.6903 -7.6903 -6.8367 -6.8367 -6.6114 -6.6114 -6.2989 -6.2989 -5.9597 -5.9597 -0.5768 -0.5768 -0.4990 -0.4990 -0.2738 -0.2738 -0.1843 -0.1843 0.4514 0.4514 0.7651 0.7651 1.3056 1.3056 1.4680 1.4680 1.7819 1.7819 2.0663 2.0663 2.2277 2.2277 2.4843 2.4843 2.7427 2.7427 2.9567 2.9567 3.2626 3.2626 3.4149 3.4149 3.5703 3.5703 3.8231 3.8231 5.8744 5.8744 6.2438 6.2438 6.4667 6.4667 6.5944 6.5944 6.9343 6.9343 k = 0.2733-1.2350-0.0000 ( 7778 PWs) bands (ev): -8.3932 -8.3932 -8.3472 -8.3472 -7.6987 -7.6987 -7.6671 -7.6671 -6.8175 -6.8175 -6.6281 -6.6281 -6.2929 -6.2929 -6.0075 -6.0075 -0.5968 -0.5968 -0.5356 -0.5356 -0.3091 -0.3091 -0.1956 -0.1956 0.4682 0.4682 0.7461 0.7461 1.3215 1.3215 1.4851 1.4851 1.8059 1.8059 2.0816 2.0816 2.2554 2.2554 2.4828 2.4828 2.7503 2.7503 2.9462 2.9462 3.2522 3.2522 3.4132 3.4132 3.5582 3.5582 3.8228 3.8228 5.8963 5.8963 6.2353 6.2353 6.4195 6.4195 6.5448 6.5448 6.8956 6.8956 k = 0.2668-1.2056-0.0000 ( 7766 PWs) bands (ev): -8.3949 -8.3949 -8.3364 -8.3364 -7.6886 -7.6886 -7.6479 -7.6479 -6.7954 -6.7954 -6.6549 -6.6549 -6.2730 -6.2730 -6.0531 -6.0531 -0.6136 -0.6136 -0.5684 -0.5684 -0.3437 -0.3437 -0.2075 -0.2075 0.4858 0.4858 0.7276 0.7276 1.3350 1.3350 1.5060 1.5060 1.8287 1.8287 2.1029 2.1029 2.2878 2.2878 2.4860 2.4860 2.7574 2.7574 2.9349 2.9349 3.2434 3.2434 3.4127 3.4127 3.5468 3.5468 3.8242 3.8242 5.9171 5.9171 6.2249 6.2249 6.3736 6.3736 6.4967 6.4967 6.8520 6.8520 k = 0.2603-1.1762-0.0000 ( 7776 PWs) bands (ev): -8.3992 -8.3992 -8.3274 -8.3274 -7.6805 -7.6805 -7.6331 -7.6331 -6.7704 -6.7704 -6.6878 -6.6878 -6.2433 -6.2433 -6.0961 -6.0961 -0.6277 -0.6277 -0.5967 -0.5967 -0.3774 -0.3774 -0.2195 -0.2195 0.5037 0.5037 0.7094 0.7094 1.3456 1.3456 1.5311 1.5311 1.8515 1.8515 2.1291 2.1291 2.3234 2.3234 2.4941 2.4941 2.7638 2.7638 2.9230 2.9230 3.2365 3.2365 3.4135 3.4135 3.5364 3.5364 3.8269 3.8269 5.9362 5.9362 6.2121 6.2121 6.3302 6.3302 6.4514 6.4514 6.8043 6.8043 k = 0.2538-1.1468-0.0000 ( 7780 PWs) bands (ev): -8.4061 -8.4061 -8.3200 -8.3200 -7.6746 -7.6746 -7.6231 -7.6231 -6.7425 -6.7425 -6.7234 -6.7234 -6.2068 -6.2068 -6.1361 -6.1361 -0.6409 -0.6409 -0.6186 -0.6186 -0.4096 -0.4096 -0.2310 -0.2310 0.5216 0.5216 0.6914 0.6914 1.3532 1.3532 1.5604 1.5604 1.8753 1.8753 2.1588 2.1588 2.3609 2.3609 2.5072 2.5072 2.7695 2.7695 2.9109 2.9109 3.2321 3.2321 3.4158 3.4158 3.5275 3.5275 3.8306 3.8306 5.9523 5.9523 6.1957 6.1957 6.2909 6.2909 6.4103 6.4103 6.7533 6.7533 k = 0.2473-1.1174-0.0000 ( 7790 PWs) bands (ev): -8.4155 -8.4155 -8.3144 -8.3144 -7.6707 -7.6707 -7.6180 -7.6180 -6.7598 -6.7598 -6.7121 -6.7121 -6.1726 -6.1726 -6.1657 -6.1657 -0.6565 -0.6565 -0.6306 -0.6306 -0.4400 -0.4400 -0.2413 -0.2413 0.5392 0.5392 0.6733 0.6733 1.3585 1.3585 1.5933 1.5933 1.9010 1.9010 2.1905 2.1905 2.3990 2.3990 2.5253 2.5253 2.7747 2.7747 2.8992 2.8992 3.2304 3.2304 3.4194 3.4194 3.5200 3.5200 3.8347 3.8347 5.9641 5.9641 6.1742 6.1742 6.2577 6.2577 6.3746 6.3746 6.6998 6.6998 k = 0.2408-1.0880-0.0000 ( 7794 PWs) bands (ev): -8.4275 -8.4275 -8.3106 -8.3106 -7.6690 -7.6690 -7.6178 -7.6178 -6.7956 -6.7956 -6.6800 -6.6800 -6.2048 -6.2048 -6.1214 -6.1214 -0.6734 -0.6734 -0.6342 -0.6342 -0.4680 -0.4680 -0.2499 -0.2499 0.5561 0.5561 0.6551 0.6551 1.3622 1.3622 1.6291 1.6291 1.9289 1.9289 2.2233 2.2233 2.4359 2.4359 2.5480 2.5480 2.7794 2.7794 2.8890 2.8890 3.2317 3.2317 3.4245 3.4245 3.5143 3.5143 3.8391 3.8391 5.9700 5.9700 6.1464 6.1464 6.2328 6.2328 6.3451 6.3451 6.6444 6.6444 k = 0.2343-1.0586-0.0000 ( 7796 PWs) bands (ev): -8.4421 -8.4421 -8.3086 -8.3086 -7.6692 -7.6692 -7.6222 -7.6222 -6.8302 -6.8302 -6.6477 -6.6477 -6.2315 -6.2315 -6.0746 -6.0746 -0.6885 -0.6885 -0.6327 -0.6327 -0.4929 -0.4929 -0.2563 -0.2563 0.5719 0.5719 0.6369 0.6369 1.3649 1.3649 1.6672 1.6672 1.9592 1.9592 2.2564 2.2564 2.4701 2.4701 2.5751 2.5751 2.7838 2.7838 2.8819 2.8819 3.2362 3.2362 3.4310 3.4310 3.5103 3.5103 3.8435 3.8435 5.9690 5.9690 6.1133 6.1133 6.2163 6.2163 6.3215 6.3215 6.5881 6.5881 k = 0.2278-1.0292-0.0000 ( 7792 PWs) bands (ev): -8.4592 -8.4592 -8.3084 -8.3084 -7.6713 -7.6713 -7.6307 -7.6307 -6.8632 -6.8632 -6.6174 -6.6174 -6.2511 -6.2511 -6.0260 -6.0260 -0.7010 -0.7010 -0.6277 -0.6277 -0.5136 -0.5136 -0.2599 -0.2599 0.5843 0.5843 0.6208 0.6208 1.3673 1.3673 1.7070 1.7070 1.9915 1.9915 2.2890 2.2890 2.4997 2.4997 2.6056 2.6056 2.7872 2.7872 2.8806 2.8806 3.2438 3.2438 3.4388 3.4388 3.5082 3.5082 3.8476 3.8476 5.9613 5.9613 6.0770 6.0770 6.2056 6.2056 6.3027 6.3027 6.5318 6.5318 k = 0.2213-0.9998-0.0000 ( 7794 PWs) bands (ev): -8.4787 -8.4787 -8.3100 -8.3100 -7.6752 -7.6752 -7.6430 -7.6430 -6.8945 -6.8945 -6.5920 -6.5920 -6.2609 -6.2609 -5.9762 -5.9762 -0.7106 -0.7106 -0.6213 -0.6213 -0.5280 -0.5280 -0.2605 -0.2605 0.5829 0.5829 0.6169 0.6169 1.3696 1.3696 1.7482 1.7482 2.0256 2.0256 2.3206 2.3206 2.5235 2.5235 2.6380 2.6380 2.7894 2.7894 2.8884 2.8884 3.2545 3.2545 3.4479 3.4479 3.5080 3.5080 3.8511 3.8511 5.9482 5.9482 6.0399 6.0399 6.1966 6.1966 6.2872 6.2872 6.4771 6.4771 k = 0.2148-0.9704-0.0000 ( 7794 PWs) bands (ev): -8.5005 -8.5005 -8.3135 -8.3135 -7.6807 -7.6807 -7.6585 -7.6585 -6.9239 -6.9239 -6.5748 -6.5748 -6.2582 -6.2582 -5.9254 -5.9254 -0.7174 -0.7174 -0.6164 -0.6164 -0.5329 -0.5329 -0.2575 -0.2575 0.5658 0.5658 0.6272 0.6272 1.3723 1.3723 1.7904 1.7904 2.0609 2.0609 2.3506 2.3506 2.5409 2.5409 2.6703 2.6703 2.7913 2.7913 2.9070 2.9070 3.2683 3.2683 3.4579 3.4579 3.5098 3.5098 3.8541 3.8541 5.9316 5.9316 6.0032 6.0032 6.1846 6.1846 6.2736 6.2736 6.4260 6.4260 k = 0.2082-0.9409-0.0000 ( 7786 PWs) bands (ev): -8.5244 -8.5244 -8.3187 -8.3187 -7.6875 -7.6875 -7.6766 -7.6766 -6.9515 -6.9515 -6.5679 -6.5679 -6.2417 -6.2417 -5.8741 -5.8741 -0.7213 -0.7213 -0.6158 -0.6158 -0.5253 -0.5253 -0.2508 -0.2508 0.5442 0.5442 0.6405 0.6405 1.3754 1.3754 1.8332 1.8332 2.0967 2.0967 2.3783 2.3783 2.5517 2.5517 2.6996 2.6996 2.7964 2.7964 2.9360 2.9360 3.2852 3.2852 3.4685 3.4685 3.5140 3.5140 3.8563 3.8563 5.9126 5.9126 5.9684 5.9684 6.1654 6.1654 6.2599 6.2599 6.3814 6.3814 k = 0.2017-0.9115-0.0000 ( 7788 PWs) bands (ev): -8.5503 -8.5503 -8.3257 -8.3257 -7.6973 -7.6973 -7.6950 -7.6950 -6.9774 -6.9774 -6.5707 -6.5707 -6.2125 -6.2125 -5.8225 -5.8225 -0.7223 -0.7223 -0.6184 -0.6184 -0.5061 -0.5061 -0.2403 -0.2403 0.5208 0.5208 0.6541 0.6541 1.3788 1.3788 1.8763 1.8763 2.1326 2.1326 2.4030 2.4030 2.5569 2.5569 2.7228 2.7228 2.8090 2.8090 2.9738 2.9738 3.3048 3.3048 3.4789 3.4789 3.5209 3.5209 3.8576 3.8576 5.8907 5.8907 5.9368 5.9368 6.1373 6.1373 6.2435 6.2435 6.3464 6.3464 k = 0.1952-0.8821-0.0000 ( 7788 PWs) bands (ev): -8.5778 -8.5778 -8.3345 -8.3345 -7.7185 -7.7185 -7.7044 -7.7044 -7.0018 -7.0018 -6.5807 -6.5807 -6.1736 -6.1736 -5.7711 -5.7711 -0.7203 -0.7203 -0.6210 -0.6210 -0.4782 -0.4782 -0.2259 -0.2259 0.4962 0.4962 0.6677 0.6677 1.3826 1.3826 1.9193 1.9193 2.1677 2.1677 2.4242 2.4242 2.5577 2.5577 2.7392 2.7392 2.8307 2.8307 3.0185 3.0185 3.3271 3.3271 3.4884 3.4884 3.5314 3.5314 3.8581 3.8581 5.8648 5.8648 5.9092 5.9092 6.1022 6.1022 6.2226 6.2226 6.3224 6.3224 k = 0.1887-0.8527-0.0000 ( 7794 PWs) bands (ev): -8.6068 -8.6068 -8.3451 -8.3451 -7.7412 -7.7412 -7.7143 -7.7143 -7.0249 -7.0249 -6.5955 -6.5955 -6.1280 -6.1280 -5.7200 -5.7200 -0.7151 -0.7151 -0.6213 -0.6213 -0.4438 -0.4438 -0.2079 -0.2079 0.4708 0.4708 0.6814 0.6814 1.3865 1.3865 1.9617 1.9617 2.2016 2.2016 2.4415 2.4415 2.5558 2.5558 2.7521 2.7521 2.8586 2.8586 3.0684 3.0684 3.3515 3.3515 3.4967 3.4967 3.5457 3.5457 3.8576 3.8576 5.8351 5.8351 5.8832 5.8832 6.0652 6.0652 6.1983 6.1983 6.3078 6.3078 k = 0.1822-0.8233-0.0000 ( 7786 PWs) bands (ev): -8.6371 -8.6371 -8.3573 -8.3573 -7.7645 -7.7645 -7.7248 -7.7248 -7.0467 -7.0467 -6.6130 -6.6130 -6.0782 -6.0782 -5.6695 -5.6695 -0.7067 -0.7067 -0.6182 -0.6182 -0.4039 -0.4039 -0.1863 -0.1863 0.4447 0.4447 0.6952 0.6952 1.3905 1.3905 2.0027 2.0027 2.2333 2.2333 2.4547 2.4547 2.5539 2.5539 2.7645 2.7645 2.8889 2.8889 3.1222 3.1222 3.3772 3.3772 3.5045 3.5045 3.5634 3.5634 3.8563 3.8563 5.8029 5.8029 5.8536 5.8536 6.0330 6.0330 6.1732 6.1732 6.2994 6.2994 k = 0.1757-0.7939-0.0000 ( 7790 PWs) bands (ev): -8.6683 -8.6683 -8.3711 -8.3711 -7.7880 -7.7880 -7.7358 -7.7358 -7.0675 -7.0675 -6.6320 -6.6320 -6.0259 -6.0259 -5.6199 -5.6199 -0.6948 -0.6948 -0.6109 -0.6109 -0.3592 -0.3592 -0.1616 -0.1616 0.4182 0.4182 0.7094 0.7094 1.3942 1.3942 2.0415 2.0415 2.2622 2.2622 2.4635 2.4635 2.5551 2.5551 2.7773 2.7773 2.9196 2.9196 3.1787 3.1787 3.4025 3.4025 3.5129 3.5129 3.5842 3.5842 3.8543 3.8543 5.7693 5.7693 5.8161 5.8161 6.0109 6.0109 6.1499 6.1499 6.2950 6.2950 k = 0.1692-0.7645-0.0000 ( 7785 PWs) bands (ev): -8.7003 -8.7003 -8.3865 -8.3865 -7.8115 -7.8115 -7.7471 -7.7471 -7.0873 -7.0873 -6.6519 -6.6519 -5.9723 -5.9723 -5.5715 -5.5715 -0.6793 -0.6793 -0.5991 -0.5991 -0.3101 -0.3101 -0.1342 -0.1342 0.3915 0.3915 0.7243 0.7243 1.3976 1.3976 2.0767 2.0767 2.2873 2.2873 2.4681 2.4681 2.5627 2.5627 2.7900 2.7900 2.9494 2.9494 3.2371 3.2371 3.4249 3.4249 3.5237 3.5237 3.6080 3.6080 3.8519 3.8519 5.7348 5.7348 5.7705 5.7705 6.0001 6.0001 6.1301 6.1301 6.2933 6.2933 k = 0.1627-0.7351-0.0000 ( 7791 PWs) bands (ev): -8.7329 -8.7329 -8.4032 -8.4032 -7.8346 -7.8346 -7.7587 -7.7587 -7.1063 -7.1063 -6.6720 -6.6720 -5.9181 -5.9181 -5.5244 -5.5244 -0.6598 -0.6598 -0.5825 -0.5825 -0.2569 -0.2569 -0.1048 -0.1048 0.3648 0.3648 0.7405 0.7405 1.4005 1.4005 2.1069 2.1069 2.3074 2.3074 2.4707 2.4707 2.5781 2.5781 2.8019 2.8019 2.9779 2.9779 3.2963 3.2963 3.4411 3.4411 3.5386 3.5386 3.6350 3.6350 3.8493 3.8493 5.6988 5.6988 5.7205 5.7205 5.9978 5.9978 6.1152 6.1152 6.2935 6.2935 k = 0.1562-0.7057-0.0000 ( 7781 PWs) bands (ev): -8.7656 -8.7656 -8.4212 -8.4212 -7.8571 -7.8571 -7.7704 -7.7704 -7.1246 -7.1246 -6.6922 -6.6922 -5.8642 -5.8642 -5.4789 -5.4789 -0.6363 -0.6363 -0.5608 -0.5608 -0.1999 -0.1999 -0.0738 -0.0738 0.3384 0.3384 0.7581 0.7581 1.4026 1.4026 2.1306 2.1306 2.3211 2.3211 2.4759 2.4759 2.6010 2.6010 2.8122 2.8122 3.0050 3.0050 3.3552 3.3552 3.4498 3.4498 3.5571 3.5571 3.6656 3.6656 3.8472 3.8472 5.6565 5.6565 5.6750 5.6750 6.0008 6.0008 6.1064 6.1064 6.2953 6.2953 k = 0.1497-0.6763-0.0000 ( 7777 PWs) bands (ev): -8.7985 -8.7985 -8.4403 -8.4403 -7.8790 -7.8790 -7.7821 -7.7821 -7.1422 -7.1422 -6.7121 -6.7121 -5.8110 -5.8110 -5.4351 -5.4351 -0.6084 -0.6084 -0.5339 -0.5339 -0.1397 -0.1397 -0.0421 -0.0421 0.3127 0.3127 0.7779 0.7779 1.4041 1.4041 2.1472 2.1472 2.3265 2.3265 2.4879 2.4879 2.6296 2.6296 2.8205 2.8205 3.0307 3.0307 3.4122 3.4122 3.4519 3.4519 3.5768 3.5768 3.6998 3.6998 3.8462 3.8462 5.6056 5.6056 5.6396 5.6396 6.0058 6.0058 6.1044 6.1044 6.2985 6.2985 k = 0.1432-0.6469-0.0000 ( 7779 PWs) bands (ev): -8.8311 -8.8311 -8.4602 -8.4602 -7.9000 -7.9000 -7.7939 -7.7939 -7.1592 -7.1592 -6.7317 -6.7317 -5.7588 -5.7588 -5.3932 -5.3932 -0.5761 -0.5761 -0.5019 -0.5019 -0.0768 -0.0768 -0.0103 -0.0103 0.2883 0.2883 0.8002 0.8002 1.4048 1.4048 2.1568 2.1568 2.3236 2.3236 2.5084 2.5084 2.6622 2.6622 2.8266 2.8266 3.0553 3.0553 3.4463 3.4463 3.4680 3.4680 3.5956 3.5956 3.7365 3.7365 3.8476 3.8476 5.5543 5.5543 5.6092 5.6092 6.0107 6.0107 6.1095 6.1095 6.3029 6.3029 k = 0.1367-0.6175-0.0000 ( 7779 PWs) bands (ev): -8.8634 -8.8634 -8.4809 -8.4809 -7.9200 -7.9200 -7.8055 -7.8055 -7.1757 -7.1757 -6.7508 -6.7508 -5.7081 -5.7081 -5.3534 -5.3534 -0.5391 -0.5391 -0.4648 -0.4648 -0.0126 -0.0126 0.0215 0.0215 0.2658 0.2658 0.8256 0.8256 1.4048 1.4048 2.1601 2.1601 2.3142 2.3142 2.5356 2.5356 2.6971 2.6971 2.8306 2.8306 3.0792 3.0792 3.4391 3.4391 3.5132 3.5132 3.6146 3.6146 3.7733 3.7733 3.8529 3.8529 5.5062 5.5062 5.5831 5.5831 6.0144 6.0144 6.1209 6.1209 6.3084 6.3084 k = 0.1302-0.5881-0.0000 ( 7775 PWs) bands (ev): -8.8952 -8.8952 -8.5020 -8.5020 -7.9392 -7.9392 -7.8170 -7.8170 -7.1916 -7.1916 -6.7695 -6.7695 -5.6591 -5.6591 -5.3157 -5.3157 -0.4974 -0.4974 -0.4228 -0.4228 0.0412 0.0412 0.0623 0.0623 0.2472 0.2472 0.8545 0.8545 1.4041 1.4041 2.1585 2.1585 2.3006 2.3006 2.5664 2.5664 2.7321 2.7321 2.8333 2.8333 3.1030 3.1030 3.4275 3.4275 3.5441 3.5441 3.6394 3.6394 3.8061 3.8061 3.8649 3.8649 5.4632 5.4632 5.5621 5.5621 6.0172 6.0172 6.1368 6.1368 6.3147 6.3147 k = 0.1236-0.5587-0.0000 ( 7793 PWs) bands (ev): -8.9263 -8.9263 -8.5234 -8.5234 -7.9574 -7.9574 -7.8282 -7.8282 -7.2070 -7.2070 -6.7875 -6.7875 -5.6121 -5.6121 -5.2802 -5.2802 -0.4508 -0.4508 -0.3762 -0.3762 0.0700 0.0700 0.1212 0.1212 0.2374 0.2374 0.8872 0.8872 1.4029 1.4029 2.1531 2.1531 2.2846 2.2846 2.5979 2.5979 2.7639 2.7639 2.8368 2.8368 3.1273 3.1273 3.4123 3.4123 3.5556 3.5556 3.6735 3.6735 3.8302 3.8302 3.8866 3.8866 5.4266 5.4266 5.5472 5.5472 6.0194 6.0194 6.1549 6.1549 6.3216 6.3216 k = 0.1171-0.5293-0.0000 ( 7797 PWs) bands (ev): -8.9565 -8.9565 -8.5450 -8.5450 -7.9745 -7.9745 -7.8392 -7.8392 -7.2218 -7.2218 -6.8049 -6.8049 -5.5672 -5.5672 -5.2469 -5.2469 -0.3994 -0.3994 -0.3258 -0.3258 0.0905 0.0905 0.1638 0.1638 0.2541 0.2541 0.9238 0.9238 1.4013 1.4013 2.1448 2.1448 2.2672 2.2672 2.6274 2.6274 2.7867 2.7867 2.8457 2.8457 3.1527 3.1527 3.3942 3.3942 3.5524 3.5524 3.7118 3.7118 3.8469 3.8469 3.9151 3.9151 5.3977 5.3977 5.5395 5.5395 6.0213 6.0213 6.1736 6.1736 6.3289 6.3289 k = 0.1106-0.4999-0.0000 ( 7795 PWs) bands (ev): -8.9857 -8.9857 -8.5664 -8.5664 -7.9907 -7.9907 -7.8499 -7.8499 -7.2361 -7.2361 -6.8216 -6.8216 -5.5246 -5.5246 -5.2159 -5.2159 -0.3431 -0.3431 -0.2724 -0.2724 0.1031 0.1031 0.1782 0.1782 0.3088 0.3088 0.9642 0.9642 1.3996 1.3996 2.1345 2.1345 2.2490 2.2490 2.6527 2.6527 2.7958 2.7958 2.8634 2.8634 3.1788 3.1788 3.3743 3.3743 3.5401 3.5401 3.7490 3.7490 3.8608 3.8608 3.9443 3.9443 5.3772 5.3772 5.5395 5.5395 6.0233 6.0233 6.1911 6.1911 6.3364 6.3364 k = 0.1041-0.4705-0.0000 ( 7801 PWs) bands (ev): -9.0138 -9.0138 -8.5875 -8.5875 -8.0060 -8.0060 -7.8602 -7.8602 -7.2498 -7.2498 -6.8376 -6.8376 -5.4844 -5.4844 -5.1873 -5.1873 -0.2821 -0.2821 -0.2180 -0.2180 0.1082 0.1082 0.1879 0.1879 0.3789 0.3789 1.0082 1.0082 1.3981 1.3981 2.1225 2.1225 2.2305 2.2305 2.6717 2.6717 2.7963 2.7963 2.8835 2.8835 3.2042 3.2042 3.3545 3.3545 3.5225 3.5225 3.7824 3.7824 3.8743 3.8743 3.9712 3.9712 5.3657 5.3657 5.5472 5.5472 6.0253 6.0253 6.2065 6.2065 6.3440 6.3440 k = 0.0976-0.4411-0.0000 ( 7799 PWs) bands (ev): -9.0407 -9.0407 -8.6081 -8.6081 -8.0203 -8.0203 -7.8701 -7.8701 -7.2629 -7.2629 -6.8528 -6.8528 -5.4467 -5.4467 -5.1609 -5.1609 -0.2165 -0.2165 -0.1659 -0.1659 0.1113 0.1113 0.2013 0.2013 0.4534 0.4534 1.0550 1.0550 1.3972 1.3972 2.1092 2.1092 2.2118 2.2118 2.6829 2.6829 2.7940 2.7940 2.8982 2.8982 3.2252 3.2252 3.3385 3.3385 3.5029 3.5029 3.8109 3.8109 3.8884 3.8884 3.9951 3.9951 5.3627 5.3627 5.5624 5.5624 6.0278 6.0278 6.2188 6.2188 6.3516 6.3516 k = 0.0911-0.4117-0.0000 ( 7795 PWs) bands (ev): -9.0663 -9.0663 -8.6280 -8.6280 -8.0336 -8.0336 -7.8796 -7.8796 -7.2754 -7.2754 -6.8672 -6.8672 -5.4116 -5.4116 -5.1367 -5.1367 -0.1469 -0.1469 -0.1209 -0.1209 0.1196 0.1196 0.2189 0.2189 0.5292 0.5292 1.1037 1.1037 1.3974 1.3974 2.0948 2.0948 2.1931 2.1931 2.6855 2.6855 2.7912 2.7912 2.9024 2.9024 3.2347 3.2347 3.3315 3.3315 3.4861 3.4861 3.8344 3.8344 3.9035 3.9035 4.0161 4.0161 5.3674 5.3674 5.5838 5.5838 6.0311 6.0311 6.2276 6.2276 6.3589 6.3589 k = 0.0846-0.3823-0.0000 ( 7805 PWs) bands (ev): -9.0904 -9.0904 -8.6472 -8.6472 -8.0460 -8.0460 -7.8886 -7.8886 -7.2872 -7.2872 -6.8808 -6.8808 -5.3790 -5.3790 -5.1147 -5.1147 -0.0927 -0.0927 -0.0703 -0.0703 0.1377 0.1377 0.2431 0.2431 0.6048 0.6048 1.1531 1.1531 1.3994 1.3994 2.0793 2.0793 2.1744 2.1744 2.6798 2.6798 2.7880 2.7880 2.8928 2.8928 3.2286 3.2286 3.3333 3.3333 3.4786 3.4786 3.8537 3.8537 3.9196 3.9196 4.0349 4.0349 5.3782 5.3782 5.6098 5.6098 6.0359 6.0359 6.2331 6.2331 6.3659 6.3659 k = 0.0781-0.3529-0.0000 ( 7799 PWs) bands (ev): -9.1131 -9.1131 -8.6654 -8.6654 -8.0575 -8.0575 -7.8970 -7.8970 -7.2983 -7.2983 -6.8935 -6.8935 -5.3491 -5.3491 -5.0948 -5.0948 -0.0770 -0.0770 0.0064 0.0064 0.1617 0.1617 0.2804 0.2804 0.6793 0.6793 1.2015 1.2015 1.4042 1.4042 2.0626 2.0626 2.1557 2.1557 2.6670 2.6670 2.7833 2.7833 2.8691 2.8691 3.2086 3.2086 3.3380 3.3380 3.4850 3.4850 3.8703 3.8703 3.9368 3.9368 4.0521 4.0521 5.3933 5.3933 5.6379 5.6379 6.0432 6.0432 6.2357 6.2357 6.3725 6.3725 k = 0.0716-0.3235-0.0000 ( 7797 PWs) bands (ev): -9.1341 -9.1341 -8.6826 -8.6826 -8.0681 -8.0681 -7.9049 -7.9049 -7.3086 -7.3086 -6.9053 -6.9053 -5.3218 -5.3218 -5.0769 -5.0769 -0.0738 -0.0738 0.0858 0.0858 0.1836 0.1836 0.3360 0.3360 0.7518 0.7518 1.2465 1.2465 1.4135 1.4135 2.0446 2.0446 2.1368 2.1368 2.6480 2.6480 2.7742 2.7742 2.8356 2.8356 3.1764 3.1764 3.3446 3.3446 3.5027 3.5027 3.8863 3.8863 3.9548 3.9548 4.0681 4.0681 5.4106 5.4106 5.6651 5.6651 6.0543 6.0543 6.2365 6.2365 6.3786 6.3786 k = 0.0651-0.2940-0.0000 ( 7805 PWs) bands (ev): -9.1536 -9.1536 -8.6986 -8.6986 -8.0777 -8.0777 -7.9123 -7.9123 -7.3182 -7.3182 -6.9162 -6.9162 -5.2971 -5.2971 -5.0610 -5.0610 -0.0773 -0.0773 0.1587 0.1587 0.2087 0.2087 0.4075 0.4075 0.8214 0.8214 1.2854 1.2854 1.4290 1.4290 2.0248 2.0248 2.1175 2.1175 2.6228 2.6228 2.7529 2.7529 2.8044 2.8044 3.1342 3.1342 3.3545 3.3545 3.5252 3.5252 3.9032 3.9032 3.9736 3.9736 4.0833 4.0833 5.4280 5.4280 5.6883 5.6883 6.0706 6.0706 6.2365 6.2365 6.3843 6.3843 k = 0.0586-0.2646-0.0000 ( 7813 PWs) bands (ev): -9.1713 -9.1713 -8.7134 -8.7134 -8.0865 -8.0865 -7.9190 -7.9190 -7.3270 -7.3270 -6.9261 -6.9261 -5.2749 -5.2749 -5.0469 -5.0469 -0.0841 -0.0841 0.1908 0.1908 0.2721 0.2721 0.4894 0.4894 0.8872 0.8872 1.3165 1.3165 1.4513 1.4513 2.0027 2.0027 2.0979 2.0979 2.5903 2.5903 2.7147 2.7147 2.7863 2.7863 3.0853 3.0853 3.3670 3.3670 3.5476 3.5476 3.9224 3.9224 3.9928 3.9928 4.0977 4.0977 5.4441 5.4441 5.7045 5.7045 6.0930 6.0930 6.2369 6.2369 6.3897 6.3897 k = 0.0521-0.2352-0.0000 ( 7809 PWs) bands (ev): -9.1873 -9.1873 -8.7268 -8.7268 -8.0943 -8.0943 -7.9251 -7.9251 -7.3349 -7.3349 -6.9351 -6.9351 -5.2553 -5.2553 -5.0346 -5.0346 -0.0921 -0.0921 0.2005 0.2005 0.3563 0.3563 0.5778 0.5778 0.9484 0.9484 1.3407 1.3407 1.4781 1.4781 1.9773 1.9773 2.0776 2.0776 2.5489 2.5489 2.6727 2.6727 2.7745 2.7745 3.0334 3.0334 3.3805 3.3805 3.5671 3.5671 3.9442 3.9442 4.0120 4.0120 4.1117 4.1117 5.4575 5.4575 5.7124 5.7124 6.1210 6.1210 6.2390 6.2390 6.3951 6.3951 k = 0.0456-0.2058-0.0000 ( 7807 PWs) bands (ev): -9.2015 -9.2015 -8.7388 -8.7388 -8.1013 -8.1013 -7.9305 -7.9305 -7.3420 -7.3420 -6.9430 -6.9430 -5.2381 -5.2381 -5.0239 -5.0239 -0.1004 -0.1004 0.2056 0.2056 0.4430 0.4430 0.6701 0.6701 1.0045 1.0045 1.3609 1.3609 1.5045 1.5045 1.9475 1.9475 2.0567 2.0567 2.5002 2.5002 2.6355 2.6355 2.7643 2.7643 2.9812 2.9812 3.3935 3.3935 3.5827 3.5827 3.9681 3.9681 4.0306 4.0306 4.1252 4.1252 5.4679 5.4679 5.7120 5.7120 6.1527 6.1527 6.2437 6.2437 6.4005 6.4005 k = 0.0390-0.1764-0.0000 ( 7817 PWs) bands (ev): -9.2139 -9.2139 -8.7493 -8.7493 -8.1073 -8.1073 -7.9353 -7.9353 -7.3482 -7.3482 -6.9499 -6.9499 -5.2233 -5.2233 -5.0149 -5.0149 -0.1082 -0.1082 0.2088 0.2088 0.5285 0.5285 0.7646 0.7646 1.0556 1.0556 1.3796 1.3796 1.5252 1.5252 1.9119 1.9119 2.0359 2.0359 2.4494 2.4494 2.6041 2.6041 2.7546 2.7546 2.9314 2.9314 3.4051 3.4051 3.5944 3.5944 3.9933 3.9933 4.0476 4.0476 4.1384 4.1384 5.4752 5.4752 5.7047 5.7047 6.1839 6.1839 6.2530 6.2530 6.4057 6.4057 k = 0.0325-0.1470-0.0000 ( 7817 PWs) bands (ev): -9.2244 -9.2244 -8.7583 -8.7583 -8.1124 -8.1124 -7.9393 -7.9393 -7.3535 -7.3535 -6.9558 -6.9558 -5.2109 -5.2109 -5.0074 -5.0074 -0.1152 -0.1152 0.2108 0.2108 0.6098 0.6098 0.8594 0.8594 1.1023 1.1023 1.3979 1.3979 1.5359 1.5359 1.8691 1.8691 2.0162 2.0162 2.4027 2.4027 2.5775 2.5775 2.7455 2.7455 2.8857 2.8857 3.4151 3.4151 3.6027 3.6027 4.0180 4.0180 4.0624 4.0624 4.1513 4.1513 5.4799 5.4799 5.6928 5.6928 6.2083 6.2083 6.2703 6.2703 6.4104 6.4104 k = 0.0260-0.1176-0.0000 ( 7809 PWs) bands (ev): -9.2331 -9.2331 -8.7657 -8.7657 -8.1166 -8.1166 -7.9427 -7.9427 -7.3578 -7.3578 -6.9606 -6.9606 -5.2008 -5.2008 -5.0013 -5.0013 -0.1211 -0.1211 0.2121 0.2121 0.6835 0.6835 0.9529 0.9529 1.1462 1.1462 1.4153 1.4153 1.5341 1.5341 1.8185 1.8185 1.9993 1.9993 2.3646 2.3646 2.5549 2.5549 2.7377 2.7377 2.8459 2.8459 3.4232 3.4232 3.6085 3.6085 4.0410 4.0410 4.0743 4.0743 4.1634 4.1634 5.4828 5.4828 5.6786 5.6786 6.2228 6.2228 6.2962 6.2962 6.4137 6.4137 k = 0.0195-0.0882-0.0000 ( 7813 PWs) bands (ev): -9.2398 -9.2398 -8.7715 -8.7715 -8.1198 -8.1198 -7.9453 -7.9453 -7.3612 -7.3612 -6.9644 -6.9644 -5.1930 -5.1930 -4.9967 -4.9967 -0.1259 -0.1259 0.2129 0.2129 0.7458 0.7458 1.0428 1.0428 1.1880 1.1880 1.4287 1.4287 1.5215 1.5215 1.7611 1.7611 1.9866 1.9866 2.3370 2.3370 2.5363 2.5363 2.7315 2.7315 2.8130 2.8130 3.4294 3.4294 3.6122 3.6122 4.0606 4.0606 4.0833 4.0833 4.1741 4.1741 5.4845 5.4845 5.6644 5.6644 6.2307 6.2307 6.3249 6.3249 6.4147 6.4147 k = 0.0130-0.0588-0.0000 ( 7823 PWs) bands (ev): -9.2447 -9.2447 -8.7757 -8.7757 -8.1222 -8.1222 -7.9472 -7.9472 -7.3637 -7.3637 -6.9671 -6.9671 -5.1875 -5.1875 -4.9934 -4.9934 -0.1293 -0.1293 0.2134 0.2134 0.7928 0.7928 1.1261 1.1261 1.2260 1.2260 1.4288 1.4288 1.5105 1.5105 1.7008 1.7008 1.9785 1.9785 2.3194 2.3194 2.5222 2.5222 2.7276 2.7276 2.7880 2.7880 3.4337 3.4337 3.6145 3.6145 4.0758 4.0758 4.0892 4.0892 4.1824 4.1824 5.4855 5.4855 5.6524 5.6524 6.2352 6.2352 6.3515 6.3515 6.4125 6.4125 k = 0.0065-0.0294-0.0000 ( 7827 PWs) bands (ev): -9.2476 -9.2476 -8.7782 -8.7782 -8.1236 -8.1236 -7.9483 -7.9483 -7.3651 -7.3651 -6.9687 -6.9687 -5.1842 -5.1842 -4.9914 -4.9914 -0.1314 -0.1314 0.2137 0.2137 0.8218 0.8218 1.1971 1.1971 1.2512 1.2512 1.4081 1.4081 1.5179 1.5179 1.6462 1.6462 1.9742 1.9742 2.3101 2.3101 2.5134 2.5134 2.7260 2.7260 2.7719 2.7719 3.4363 3.4363 3.6158 3.6158 4.0859 4.0859 4.0920 4.0920 4.1878 4.1878 5.4861 5.4861 5.6444 5.6444 6.2377 6.2377 6.3735 6.3735 6.4063 6.4063 k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1240 -8.1240 -7.9487 -7.9487 -7.3656 -7.3656 -6.9693 -6.9693 -5.1830 -5.1830 -4.9908 -4.9908 -0.1321 -0.1321 0.2138 0.2138 0.8316 0.8316 1.2388 1.2388 1.2500 1.2500 1.3928 1.3928 1.5289 1.5289 1.6192 1.6192 1.9729 1.9729 2.3072 2.3072 2.5103 2.5103 2.7257 2.7257 2.7662 2.7662 3.4371 3.4371 3.6162 3.6162 4.0905 4.0905 4.0918 4.0918 4.1897 4.1897 5.4863 5.4863 5.6415 5.6415 6.2384 6.2384 6.3855 6.3855 6.3998 6.3998 k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1240 -8.1240 -7.9487 -7.9487 -7.3656 -7.3656 -6.9693 -6.9693 -5.1830 -5.1830 -4.9908 -4.9908 -0.1321 -0.1321 0.2138 0.2138 0.8316 0.8316 1.2388 1.2388 1.2500 1.2500 1.3928 1.3928 1.5289 1.5289 1.6192 1.6192 1.9729 1.9729 2.3072 2.3072 2.5103 2.5103 2.7257 2.7257 2.7662 2.7662 3.4371 3.4371 3.6162 3.6162 4.0905 4.0905 4.0918 4.0918 4.1897 4.1897 5.4863 5.4863 5.6415 5.6415 6.2384 6.2384 6.3855 6.3855 6.3998 6.3998 k = 0.0125-0.0269-0.0077 ( 7827 PWs) bands (ev): -9.2476 -9.2476 -8.7783 -8.7783 -8.1237 -8.1237 -7.9483 -7.9483 -7.3650 -7.3650 -6.9689 -6.9689 -5.1840 -5.1840 -4.9912 -4.9912 -0.1317 -0.1317 0.2135 0.2135 0.8223 0.8223 1.1993 1.1993 1.2514 1.2514 1.4072 1.4072 1.5183 1.5183 1.6450 1.6450 1.9743 1.9743 2.3089 2.3089 2.5141 2.5141 2.7266 2.7266 2.7719 2.7719 3.4360 3.4360 3.6161 3.6161 4.0820 4.0820 4.0964 4.0964 4.1878 4.1878 5.4859 5.4859 5.6440 5.6440 6.2372 6.2372 6.3738 6.3738 6.4059 6.4059 k = 0.0250-0.0537-0.0153 ( 7823 PWs) bands (ev): -9.2446 -9.2446 -8.7762 -8.7762 -8.1228 -8.1228 -7.9472 -7.9472 -7.3632 -7.3632 -6.9679 -6.9679 -5.1870 -5.1870 -4.9924 -4.9924 -0.1302 -0.1302 0.2125 0.2125 0.7948 0.7948 1.1316 1.1316 1.2278 1.2278 1.4280 1.4280 1.5105 1.5105 1.6975 1.6975 1.9785 1.9785 2.3152 2.3152 2.5244 2.5244 2.7301 2.7301 2.7884 2.7884 3.4327 3.4327 3.6158 3.6158 4.0686 4.0686 4.0981 4.0981 4.1825 4.1825 5.4846 5.4846 5.6509 5.6509 6.2334 6.2334 6.3522 6.3522 6.4113 6.4113 k = 0.0375-0.0806-0.0230 ( 7816 PWs) bands (ev): -9.2397 -9.2397 -8.7726 -8.7726 -8.1214 -8.1214 -7.9454 -7.9454 -7.3603 -7.3603 -6.9661 -6.9661 -5.1921 -5.1921 -4.9944 -4.9944 -0.1279 -0.1279 0.2108 0.2108 0.7502 0.7502 1.0523 1.0523 1.1915 1.1915 1.4306 1.4306 1.5204 1.5204 1.7551 1.7551 1.9859 1.9859 2.3284 2.3284 2.5393 2.5393 2.7373 2.7373 2.8148 2.8148 3.4274 3.4274 3.6150 3.6150 4.0506 4.0506 4.0967 4.0967 4.1744 4.1744 5.4825 5.4825 5.6611 5.6611 6.2268 6.2268 6.3258 6.3258 6.4126 6.4126 k = 0.0500-0.1074-0.0307 ( 7814 PWs) bands (ev): -9.2329 -9.2329 -8.7677 -8.7677 -8.1193 -8.1193 -7.9429 -7.9429 -7.3562 -7.3562 -6.9637 -6.9637 -5.1991 -5.1991 -4.9974 -4.9974 -0.1247 -0.1247 0.2083 0.2083 0.6911 0.6911 0.9669 0.9669 1.1511 1.1511 1.4204 1.4204 1.5342 1.5342 1.8092 1.8092 1.9970 1.9970 2.3511 2.3511 2.5564 2.5564 2.7487 2.7487 2.8505 2.8505 3.4202 3.4202 3.6131 3.6131 4.0283 4.0283 4.0918 4.0918 4.1648 4.1648 5.4794 5.4794 5.6732 5.6732 6.2166 6.2166 6.2971 6.2971 6.4104 6.4104 k = 0.0625-0.1343-0.0384 ( 7811 PWs) bands (ev): -9.2242 -9.2242 -8.7613 -8.7613 -8.1166 -8.1166 -7.9396 -7.9396 -7.3509 -7.3509 -6.9606 -6.9606 -5.2083 -5.2083 -5.0013 -5.0013 -0.1206 -0.1206 0.2047 0.2047 0.6211 0.6211 0.8787 0.8787 1.1088 1.1088 1.4060 1.4060 1.5401 1.5401 1.8544 1.8544 2.0123 2.0123 2.3837 2.3837 2.5742 2.5742 2.7642 2.7642 2.8950 2.8950 3.4114 3.4114 3.6096 3.6096 4.0023 4.0023 4.0828 4.0828 4.1552 4.1552 5.4750 5.4750 5.6850 5.6850 6.2008 6.2008 6.2703 6.2703 6.4057 6.4057 k = 0.0750-0.1611-0.0460 ( 7807 PWs) bands (ev): -9.2136 -9.2136 -8.7536 -8.7536 -8.1133 -8.1133 -7.9356 -7.9356 -7.3445 -7.3445 -6.9567 -6.9567 -5.2196 -5.2196 -5.0063 -5.0063 -0.1159 -0.1159 0.1998 0.1998 0.5437 0.5437 0.7900 0.7900 1.0642 1.0642 1.3897 1.3897 1.5366 1.5366 1.8878 1.8878 2.0328 2.0328 2.4240 2.4240 2.5919 2.5919 2.7837 2.7837 2.9470 2.9470 3.4016 3.4016 3.6037 3.6037 3.9737 3.9737 4.0691 4.0691 4.1470 4.1470 5.4688 5.4688 5.6946 5.6946 6.1770 6.1770 6.2504 6.2504 6.3994 6.3994 k = 0.0875-0.1880-0.0537 ( 7802 PWs) bands (ev): -9.2011 -9.2011 -8.7447 -8.7447 -8.1094 -8.1094 -7.9309 -7.9309 -7.3370 -7.3370 -6.9522 -6.9522 -5.2330 -5.2330 -5.0123 -5.0123 -0.1106 -0.1106 0.1928 0.1928 0.4623 0.4623 0.7028 0.7028 1.0160 1.0160 1.3715 1.3715 1.5263 1.5263 1.9093 1.9093 2.0582 2.0582 2.4672 2.4672 2.6099 2.6099 2.8070 2.8070 3.0044 3.0044 3.3912 3.3912 3.5950 3.5950 3.9435 3.9435 4.0513 4.0513 4.1405 4.1405 5.4604 5.4604 5.6997 5.6997 6.1470 6.1470 6.2387 6.2387 6.3923 6.3923 k = 0.1000-0.2149-0.0614 ( 7805 PWs) bands (ev): -9.1867 -9.1867 -8.7344 -8.7344 -8.1049 -8.1049 -7.9256 -7.9256 -7.3285 -7.3285 -6.9470 -6.9470 -5.2487 -5.2487 -5.0197 -5.0197 -0.1049 -0.1049 0.1830 0.1830 0.3793 0.3793 0.6189 0.6189 0.9636 0.9636 1.3497 1.3497 1.5132 1.5132 1.9215 1.9215 2.0867 2.0867 2.5071 2.5071 2.6293 2.6293 2.8334 2.8334 3.0645 3.0645 3.3811 3.3811 3.5831 3.5831 3.9131 3.9131 4.0307 4.0307 4.1353 4.1353 5.4497 5.4497 5.6988 5.6988 6.1155 6.1155 6.2333 6.2333 6.3852 6.3852 k = 0.1125-0.2417-0.0690 ( 7799 PWs) bands (ev): -9.1705 -9.1705 -8.7230 -8.7230 -8.0998 -8.0998 -7.9195 -7.9195 -7.3190 -7.3190 -6.9410 -6.9410 -5.2667 -5.2667 -5.0284 -5.0284 -0.0990 -0.0990 0.1688 0.1688 0.2970 0.2970 0.5406 0.5406 0.9070 0.9070 1.3226 1.3226 1.5016 1.5016 1.9279 1.9279 2.1159 2.1159 2.5388 2.5388 2.6510 2.6510 2.8615 2.8615 3.1237 3.1237 3.3723 3.3723 3.5685 3.5685 3.8839 3.8839 4.0083 4.0083 4.1306 4.1306 5.4372 5.4372 5.6908 5.6908 6.0863 6.0863 6.2327 6.2327 6.3783 6.3783 k = 0.1250-0.2686-0.0767 ( 7797 PWs) bands (ev): -9.1526 -9.1526 -8.7104 -8.7104 -8.0940 -8.0940 -7.9127 -7.9127 -7.3085 -7.3085 -6.9344 -6.9344 -5.2870 -5.2870 -5.0386 -5.0386 -0.0935 -0.0935 0.1471 0.1471 0.2184 0.2184 0.4704 0.4704 0.8464 0.8464 1.2890 1.2890 1.4940 1.4940 1.9313 1.9313 2.1440 2.1440 2.5606 2.5606 2.6741 2.6741 2.8886 2.8886 3.1782 3.1782 3.3659 3.3659 3.5528 3.5528 3.8573 3.8573 3.9849 3.9849 4.1256 4.1256 5.4238 5.4238 5.6763 5.6763 6.0613 6.0613 6.2357 6.2357 6.3719 6.3719 k = 0.1375-0.2954-0.0844 ( 7800 PWs) bands (ev): -9.1329 -9.1329 -8.6967 -8.6967 -8.0876 -8.0876 -7.9053 -7.9053 -7.2970 -7.2970 -6.9271 -6.9271 -5.3098 -5.3098 -5.0504 -5.0504 -0.0890 -0.0890 0.1083 0.1083 0.1523 0.1523 0.4108 0.4108 0.7826 0.7826 1.2496 1.2496 1.4911 1.4911 1.9334 1.9334 2.1703 2.1703 2.5741 2.5741 2.6962 2.6962 2.9102 2.9102 3.2240 3.2240 3.3615 3.3615 3.5394 3.5394 3.8346 3.8346 3.9609 3.9609 4.1199 4.1199 5.4110 5.4110 5.6576 5.6576 6.0408 6.0408 6.2411 6.2411 6.3659 6.3659 k = 0.1500-0.3223-0.0920 ( 7798 PWs) bands (ev): -9.1115 -9.1115 -8.6820 -8.6820 -8.0805 -8.0805 -7.8971 -7.8971 -7.2848 -7.2848 -6.9191 -6.9191 -5.3350 -5.3350 -5.0641 -5.0641 -0.0868 -0.0868 0.0446 0.0446 0.1073 0.1073 0.3637 0.3637 0.7161 0.7161 1.2058 1.2058 1.4926 1.4926 1.9351 1.9351 2.1943 2.1943 2.5817 2.5817 2.7155 2.7155 2.9222 2.9222 3.2578 3.2578 3.3566 3.3566 3.5335 3.5335 3.8169 3.8169 3.9364 3.9364 4.1130 4.1130 5.4006 5.4006 5.6379 5.6379 6.0241 6.0241 6.2476 6.2476 6.3605 6.3605 k = 0.1625-0.3491-0.0997 ( 7801 PWs) bands (ev): -9.0885 -9.0885 -8.6665 -8.6665 -8.0728 -8.0728 -7.8883 -7.8883 -7.2717 -7.2717 -6.9103 -6.9103 -5.3628 -5.3628 -5.0796 -5.0796 -0.0900 -0.0900 -0.0251 -0.0251 0.0685 0.0685 0.3285 0.3285 0.6478 0.6478 1.1594 1.1594 1.4975 1.4975 1.9373 1.9373 2.2155 2.2155 2.5847 2.5847 2.7313 2.7313 2.9222 2.9222 3.2743 3.2743 3.3516 3.3516 3.5374 3.5374 3.8043 3.8043 3.9112 3.9112 4.1047 4.1047 5.3944 5.3944 5.6211 5.6211 6.0103 6.0103 6.2536 6.2536 6.3558 6.3558 k = 0.1750-0.3760-0.1074 ( 7801 PWs) bands (ev): -9.0640 -9.0640 -8.6501 -8.6501 -8.0643 -8.0643 -7.8788 -7.8788 -7.2578 -7.2578 -6.9009 -6.9009 -5.3930 -5.3930 -5.0971 -5.0971 -0.1064 -0.1064 -0.0893 -0.0893 0.0356 0.0356 0.3024 0.3024 0.5785 0.5785 1.1118 1.1118 1.5049 1.5049 1.9402 1.9402 2.2339 2.2339 2.5835 2.5835 2.7436 2.7436 2.9110 2.9110 3.2652 3.2652 3.3550 3.3550 3.5480 3.5480 3.7953 3.7953 3.8863 3.8863 4.0949 4.0949 5.3941 5.3941 5.6110 5.6110 5.9983 5.9983 6.2576 6.2576 6.3520 6.3520 k = 0.1875-0.4029-0.1151 ( 7806 PWs) bands (ev): -9.0380 -9.0380 -8.6330 -8.6330 -8.0553 -8.0553 -7.8687 -7.8687 -7.2433 -7.2433 -6.8907 -6.8907 -5.4258 -5.4258 -5.1169 -5.1169 -0.1607 -0.1607 -0.1258 -0.1258 0.0145 0.0145 0.2822 0.2822 0.5090 0.5090 1.0645 1.0645 1.5141 1.5141 1.9441 1.9441 2.2492 2.2492 2.5778 2.5778 2.7525 2.7525 2.8914 2.8914 3.2352 3.2352 3.3648 3.3648 3.5597 3.5597 3.7854 3.7854 3.8641 3.8641 4.0843 4.0843 5.4007 5.4007 5.6104 5.6104 5.9877 5.9877 6.2585 6.2585 6.3491 6.3491 k = 0.2000-0.4297-0.1227 ( 7811 PWs) bands (ev): -9.0106 -9.0106 -8.6154 -8.6154 -8.0455 -8.0455 -7.8579 -7.8579 -7.2281 -7.2281 -6.8799 -6.8799 -5.4611 -5.4611 -5.1389 -5.1389 -0.2204 -0.2204 -0.1644 -0.1644 0.0048 0.0048 0.2650 0.2650 0.4404 0.4404 1.0184 1.0184 1.5245 1.5245 1.9490 1.9490 2.2612 2.2612 2.5668 2.5668 2.7575 2.7575 2.8676 2.8676 3.1953 3.1953 3.3723 3.3723 3.5687 3.5687 3.7680 3.7680 3.8483 3.8483 4.0734 4.0734 5.4149 5.4149 5.6215 5.6215 5.9783 5.9783 6.2557 6.2557 6.3474 6.3474 k = 0.2125-0.4566-0.1304 ( 7814 PWs) bands (ev): -8.9819 -8.9819 -8.5973 -8.5973 -8.0351 -8.0351 -7.8464 -7.8464 -7.2124 -7.2124 -6.8683 -6.8683 -5.4989 -5.4989 -5.1632 -5.1632 -0.2762 -0.2762 -0.2074 -0.2074 0.0008 0.0008 0.2480 0.2480 0.3748 0.3748 0.9747 0.9747 1.5355 1.5355 1.9550 1.9550 2.2697 2.2697 2.5496 2.5496 2.7571 2.7571 2.8444 2.8444 3.1513 3.1513 3.3738 3.3738 3.5728 3.5728 3.7414 3.7414 3.8380 3.8380 4.0635 4.0635 5.4368 5.4368 5.6447 5.6447 5.9700 5.9700 6.2496 6.2496 6.3464 6.3464 k = 0.2250-0.4834-0.1381 ( 7812 PWs) bands (ev): -8.9520 -8.9520 -8.5788 -8.5788 -8.0240 -8.0240 -7.8343 -7.8343 -7.1962 -7.1962 -6.8559 -6.8559 -5.5392 -5.5392 -5.1900 -5.1900 -0.3276 -0.3276 -0.2503 -0.2503 -0.0017 -0.0017 0.2264 0.2264 0.3169 0.3169 0.9339 0.9339 1.5467 1.5467 1.9619 1.9619 2.2742 2.2742 2.5255 2.5255 2.7486 2.7486 2.8272 2.8272 3.1062 3.1062 3.3690 3.3690 3.5693 3.5693 3.7104 3.7104 3.8284 3.8284 4.0552 4.0552 5.4660 5.4660 5.6792 5.6792 5.9633 5.9633 6.2413 6.2413 6.3458 6.3458 k = 0.2375-0.5103-0.1457 ( 7804 PWs) bands (ev): -8.9210 -8.9210 -8.5601 -8.5601 -8.0123 -8.0123 -7.8215 -7.8215 -7.1795 -7.1795 -6.8428 -6.8428 -5.5817 -5.5817 -5.2192 -5.2192 -0.3745 -0.3745 -0.2907 -0.2907 -0.0051 -0.0051 0.1904 0.1904 0.2768 0.2768 0.8968 0.8968 1.5577 1.5577 1.9696 1.9696 2.2744 2.2744 2.4946 2.4946 2.7306 2.7306 2.8186 2.8186 3.0619 3.0619 3.3587 3.3587 3.5555 3.5555 3.6799 3.6799 3.8166 3.8166 4.0488 4.0488 5.5011 5.5011 5.7229 5.7229 5.9589 5.9589 6.2322 6.2322 6.3454 6.3454 k = 0.2500-0.5371-0.1534 ( 7791 PWs) bands (ev): -8.8892 -8.8892 -8.5414 -8.5414 -7.9999 -7.9999 -7.8080 -7.8080 -7.1625 -7.1625 -6.8289 -6.8289 -5.6265 -5.6265 -5.2510 -5.2510 -0.4170 -0.4170 -0.3273 -0.3273 -0.0111 -0.0111 0.1384 0.1384 0.2570 0.2570 0.8638 0.8638 1.5680 1.5680 1.9775 1.9775 2.2696 2.2696 2.4583 2.4583 2.7060 2.7060 2.8158 2.8158 3.0199 3.0199 3.3437 3.3437 3.5307 3.5307 3.6518 3.6518 3.8028 3.8028 4.0439 4.0439 5.5403 5.5403 5.7724 5.7724 5.9581 5.9581 6.2242 6.2242 6.3455 6.3455 k = 0.2625-0.5640-0.1611 ( 7791 PWs) bands (ev): -8.8565 -8.8565 -8.5227 -8.5227 -7.9870 -7.9870 -7.7939 -7.7939 -7.1451 -7.1451 -6.8141 -6.8141 -5.6734 -5.6734 -5.2851 -5.2851 -0.4554 -0.4554 -0.3595 -0.3595 -0.0207 -0.0207 0.0808 0.0808 0.2479 0.2479 0.8350 0.8350 1.5770 1.5770 1.9852 1.9852 2.2586 2.2586 2.4192 2.4192 2.6776 2.6776 2.8148 2.8148 2.9817 2.9817 3.3249 3.3249 3.4985 3.4985 3.6243 3.6243 3.7887 3.7887 4.0394 4.0394 5.5808 5.5808 5.8221 5.8221 5.9635 5.9635 6.2198 6.2198 6.3469 6.3469 k = 0.2750-0.5909-0.1688 ( 7793 PWs) bands (ev): -8.8233 -8.8233 -8.5042 -8.5042 -7.9734 -7.9734 -7.7792 -7.7792 -7.1275 -7.1275 -6.7986 -6.7986 -5.7221 -5.7221 -5.3217 -5.3217 -0.4901 -0.4901 -0.3869 -0.3869 -0.0345 -0.0345 0.0239 0.0239 0.2444 0.2444 0.8106 0.8106 1.5842 1.5842 1.9917 1.9917 2.2396 2.2396 2.3811 2.3811 2.6470 2.6470 2.8126 2.8126 2.9491 2.9491 3.3022 3.3022 3.4637 3.4637 3.5952 3.5952 3.7755 3.7755 4.0343 4.0343 5.6195 5.6195 5.8626 5.8626 5.9807 5.9807 6.2218 6.2218 6.3509 6.3509 k = 0.2875-0.6177-0.1764 ( 7795 PWs) bands (ev): -8.7897 -8.7897 -8.4861 -8.4861 -7.9593 -7.9593 -7.7639 -7.7639 -7.1098 -7.1098 -6.7821 -6.7821 -5.7724 -5.7724 -5.3606 -5.3606 -0.5214 -0.5214 -0.4094 -0.4094 -0.0550 -0.0550 -0.0276 -0.0276 0.2448 0.2448 0.7903 0.7903 1.5889 1.5889 1.9957 1.9957 2.2116 2.2116 2.3476 2.3476 2.6152 2.6152 2.8060 2.8060 2.9242 2.9242 3.2756 3.2756 3.4309 3.4309 3.5639 3.5639 3.7636 3.7636 4.0278 4.0278 5.6535 5.6535 5.8854 5.8854 6.0129 6.0129 6.2338 6.2338 6.3596 6.3596 k = 0.3000-0.6446-0.1841 ( 7792 PWs) bands (ev): -8.7559 -8.7559 -8.4685 -8.4685 -7.9447 -7.9447 -7.7481 -7.7481 -7.0918 -7.0918 -6.7648 -6.7648 -5.8242 -5.8242 -5.4018 -5.4018 -0.5500 -0.5500 -0.4269 -0.4269 -0.0931 -0.0931 -0.0609 -0.0609 0.2482 0.2482 0.7740 0.7740 1.5903 1.5903 1.9944 1.9944 2.1766 2.1766 2.3205 2.3205 2.5835 2.5835 2.7926 2.7926 2.9088 2.9088 3.2450 3.2450 3.4027 3.4027 3.5315 3.5315 3.7525 3.7525 4.0192 4.0192 5.6809 5.6809 5.8933 5.8933 6.0509 6.0509 6.2584 6.2584 6.3755 6.3755 k = 0.3125-0.6714-0.1918 ( 7790 PWs) bands (ev): -8.7221 -8.7221 -8.4514 -8.4514 -7.9296 -7.9296 -7.7318 -7.7318 -7.0737 -7.0737 -6.7466 -6.7466 -5.8770 -5.8770 -5.4449 -5.4449 -0.5763 -0.5763 -0.4397 -0.4397 -0.1395 -0.1395 -0.0838 -0.0838 0.2539 0.2539 0.7614 0.7614 1.5875 1.5875 1.9833 1.9833 2.1413 2.1413 2.2985 2.2985 2.5535 2.5535 2.7725 2.7725 2.9018 2.9018 3.2109 3.2109 3.3801 3.3801 3.4994 3.4994 3.7419 3.7419 4.0082 4.0082 5.7008 5.7008 5.8930 5.8930 6.0828 6.0828 6.2955 6.2955 6.4010 6.4010 k = 0.3250-0.6983-0.1994 ( 7785 PWs) bands (ev): -8.6887 -8.6887 -8.4350 -8.4350 -7.9142 -7.9142 -7.7151 -7.7151 -7.0555 -7.0555 -6.7275 -6.7275 -5.9305 -5.9305 -5.4900 -5.4900 -0.6010 -0.6010 -0.4479 -0.4479 -0.1833 -0.1833 -0.1054 -0.1054 0.2615 0.2615 0.7520 0.7520 1.5799 1.5799 1.9564 1.9564 2.1141 2.1141 2.2800 2.2800 2.5267 2.5267 2.7485 2.7485 2.9002 2.9002 3.1750 3.1750 3.3626 3.3626 3.4691 3.4691 3.7314 3.7314 3.9947 3.9947 5.7134 5.7134 5.8892 5.8892 6.1038 6.1038 6.3396 6.3396 6.4376 6.4376 k = 0.3375-0.7251-0.2071 ( 7777 PWs) bands (ev): -8.6558 -8.6558 -8.4195 -8.4195 -7.8984 -7.8984 -7.6982 -7.6982 -7.0372 -7.0372 -6.7077 -6.7077 -5.9843 -5.9843 -5.5368 -5.5368 -0.6246 -0.6246 -0.4522 -0.4522 -0.2229 -0.2229 -0.1261 -0.1261 0.2703 0.2703 0.7457 0.7457 1.5667 1.5667 1.9127 1.9127 2.0979 2.0979 2.2637 2.2637 2.5045 2.5045 2.7231 2.7231 2.9009 2.9009 3.1393 3.1393 3.3482 3.3482 3.4423 3.4423 3.7207 3.7207 3.9787 3.9787 5.7192 5.7192 5.8847 5.8847 6.1151 6.1151 6.3802 6.3802 6.4862 6.4862 k = 0.3500-0.7520-0.2148 ( 7775 PWs) bands (ev): -8.6237 -8.6237 -8.4048 -8.4048 -7.8823 -7.8823 -7.6812 -7.6812 -7.0187 -7.0187 -6.6871 -6.6871 -6.0378 -6.0378 -5.5850 -5.5850 -0.6475 -0.6475 -0.4531 -0.4531 -0.2575 -0.2575 -0.1450 -0.1450 0.2801 0.2801 0.7421 0.7421 1.5478 1.5478 1.8577 1.8577 2.0890 2.0890 2.2488 2.2488 2.4881 2.4881 2.6980 2.6980 2.9017 2.9017 3.1055 3.1055 3.3346 3.3346 3.4205 3.4205 3.7098 3.7098 3.9605 3.9605 5.7188 5.7188 5.8817 5.8817 6.1197 6.1197 6.4086 6.4086 6.5462 6.5462 k = 0.3625-0.7789-0.2225 ( 7766 PWs) bands (ev): -8.5928 -8.5928 -8.3911 -8.3911 -7.8661 -7.8661 -7.6643 -7.6643 -6.9999 -6.9999 -6.6662 -6.6662 -6.0904 -6.0904 -5.6345 -5.6345 -0.6701 -0.6701 -0.4518 -0.4518 -0.2866 -0.2866 -0.1617 -0.1617 0.2905 0.2905 0.7409 0.7409 1.5231 1.5231 1.7967 1.7967 2.0833 2.0833 2.2345 2.2345 2.4783 2.4783 2.6741 2.6741 2.9011 2.9011 3.0754 3.0754 3.3198 3.3198 3.4050 3.4050 3.6989 3.6989 3.9403 3.9403 5.7131 5.7131 5.8814 5.8814 6.1204 6.1204 6.4227 6.4227 6.6135 6.6135 k = 0.3750-0.8057-0.2301 ( 7771 PWs) bands (ev): -8.5634 -8.5634 -8.3784 -8.3784 -7.8498 -7.8498 -7.6476 -7.6476 -6.9809 -6.9809 -6.6453 -6.6453 -6.1413 -6.1413 -5.6849 -5.6849 -0.6923 -0.6923 -0.4496 -0.4496 -0.3094 -0.3094 -0.1755 -0.1755 0.3013 0.3013 0.7420 0.7420 1.4934 1.4934 1.7330 1.7330 2.0789 2.0789 2.2202 2.2202 2.4751 2.4751 2.6524 2.6524 2.8977 2.8977 3.0504 3.0504 3.3033 3.3033 3.3957 3.3957 3.6881 3.6881 3.9185 3.9185 5.7034 5.7034 5.8838 5.8838 6.1192 6.1192 6.4250 6.4250 6.6838 6.6838 k = 0.3875-0.8326-0.2378 ( 7771 PWs) bands (ev): -8.5358 -8.5358 -8.3669 -8.3669 -7.8338 -7.8338 -7.6315 -7.6315 -6.9613 -6.9613 -6.6253 -6.6253 -6.1891 -6.1891 -5.7360 -5.7360 -0.7139 -0.7139 -0.4488 -0.4488 -0.3244 -0.3244 -0.1864 -0.1864 0.3123 0.3123 0.7451 0.7451 1.4597 1.4597 1.6688 1.6688 2.0751 2.0751 2.2056 2.2056 2.4779 2.4779 2.6334 2.6334 2.8909 2.8909 3.0312 3.0312 3.2861 3.2861 3.3908 3.3908 3.6780 3.6780 3.8956 3.8956 5.6911 5.6911 5.8884 5.8884 6.1175 6.1175 6.4191 6.4191 6.7542 6.7542 k = 0.4000-0.8594-0.2455 ( 7772 PWs) bands (ev): -8.5102 -8.5102 -8.3564 -8.3564 -7.8180 -7.8180 -7.6162 -7.6162 -6.9412 -6.9412 -6.6076 -6.6076 -6.2320 -6.2320 -5.7875 -5.7875 -0.7348 -0.7348 -0.4514 -0.4514 -0.3306 -0.3306 -0.1944 -0.1944 0.3231 0.3231 0.7502 0.7502 1.4234 1.4234 1.6056 1.6056 2.0717 2.0717 2.1906 2.1906 2.4858 2.4858 2.6177 2.6177 2.8805 2.8805 3.0174 3.0174 3.2698 3.2698 3.3880 3.3880 3.6690 3.6690 3.8721 3.8721 5.6775 5.6775 5.8944 5.8944 6.1165 6.1165 6.4079 6.4079 6.8225 6.8225 k = 0.4125-0.8863-0.2531 ( 7771 PWs) bands (ev): -8.4869 -8.4869 -8.3472 -8.3472 -7.8029 -7.8029 -7.6018 -7.6018 -6.9202 -6.9202 -6.5946 -6.5946 -6.2672 -6.2672 -5.8392 -5.8392 -0.7543 -0.7543 -0.4580 -0.4580 -0.3282 -0.3282 -0.2001 -0.2001 0.3337 0.3337 0.7570 0.7570 1.3861 1.3861 1.5444 1.5444 2.0686 2.0686 2.1756 2.1756 2.4971 2.4971 2.6055 2.6055 2.8676 2.8676 3.0077 3.0077 3.2556 3.2556 3.3858 3.3858 3.6620 3.6620 3.8484 3.8484 5.6638 5.6638 5.9008 5.9008 6.1168 6.1168 6.3934 6.3934 6.8869 6.8869 k = 0.4250-0.9131-0.2608 ( 7775 PWs) bands (ev): -8.4663 -8.4663 -8.3391 -8.3391 -7.7887 -7.7887 -7.5887 -7.5887 -6.8982 -6.8982 -6.5895 -6.5895 -6.2912 -6.2912 -5.8906 -5.8906 -0.7722 -0.7722 -0.4673 -0.4673 -0.3192 -0.3192 -0.2042 -0.2042 0.3438 0.3438 0.7652 0.7652 1.3496 1.3496 1.4866 1.4866 2.0660 2.0660 2.1610 2.1610 2.5100 2.5100 2.5974 2.5974 2.8536 2.8536 3.0003 3.0003 3.2444 3.2444 3.3827 3.3827 3.6575 3.6575 3.8249 3.8249 5.6508 5.6508 5.9070 5.9070 6.1189 6.1189 6.3772 6.3772 6.9461 6.9461 k = 0.4375-0.9400-0.2685 ( 7775 PWs) bands (ev): -8.4485 -8.4485 -8.3322 -8.3322 -7.7758 -7.7758 -7.5772 -7.5772 -6.8748 -6.8748 -6.5952 -6.5952 -6.3006 -6.3006 -5.9415 -5.9415 -0.7881 -0.7881 -0.4774 -0.4774 -0.3062 -0.3062 -0.2073 -0.2073 0.3532 0.3532 0.7744 0.7744 1.3156 1.3156 1.4331 1.4331 2.0639 2.0639 2.1472 2.1472 2.5224 2.5224 2.5939 2.5939 2.8398 2.8398 2.9940 2.9940 3.2366 3.2366 3.3781 3.3781 3.6562 3.6562 3.8021 3.8021 5.6389 5.6389 5.9124 5.9124 6.1229 6.1229 6.3604 6.3604 6.9988 6.9988 k = 0.4500-0.9669-0.2761 ( 7776 PWs) bands (ev): -8.4336 -8.4336 -8.3266 -8.3266 -7.7646 -7.7646 -7.5673 -7.5673 -6.8501 -6.8501 -6.6121 -6.6121 -6.2949 -6.2949 -5.9915 -5.9915 -0.8015 -0.8015 -0.4869 -0.4869 -0.2913 -0.2913 -0.2105 -0.2105 0.3615 0.3615 0.7841 0.7841 1.2860 1.2860 1.3851 1.3851 2.0624 2.0624 2.1346 2.1346 2.5323 2.5323 2.5953 2.5953 2.8271 2.8271 2.9881 2.9881 3.2323 3.2323 3.3721 3.3721 3.6584 3.6584 3.7801 3.7801 5.6288 5.6288 5.9167 5.9167 6.1286 6.1286 6.3439 6.3439 7.0438 7.0438 k = 0.4625-0.9937-0.2838 ( 7784 PWs) bands (ev): -8.4220 -8.4220 -8.3222 -8.3222 -7.7553 -7.7553 -7.5595 -7.5595 -6.8237 -6.8237 -6.6374 -6.6374 -6.2764 -6.2764 -6.0403 -6.0403 -0.8123 -0.8123 -0.4949 -0.4949 -0.2760 -0.2760 -0.2143 -0.2143 0.3685 0.3685 0.7934 0.7934 1.2623 1.2623 1.3440 1.3440 2.0617 2.0617 2.1239 2.1239 2.5386 2.5386 2.6007 2.6007 2.8162 2.8162 2.9825 2.9825 3.2308 3.2308 3.3652 3.3652 3.6638 3.6638 3.7594 3.7594 5.6206 5.6206 5.9199 5.9199 6.1353 6.1353 6.3288 6.3288 7.0800 7.0800 k = 0.4750-1.0206-0.2915 ( 7782 PWs) bands (ev): -8.4135 -8.4135 -8.3191 -8.3191 -7.7484 -7.7484 -7.5537 -7.5537 -6.7957 -6.7957 -6.6673 -6.6673 -6.2487 -6.2487 -6.0875 -6.0875 -0.8201 -0.8201 -0.5009 -0.5009 -0.2614 -0.2614 -0.2195 -0.2195 0.3738 0.3738 0.8012 0.8012 1.2459 1.2459 1.3115 1.3115 2.0615 2.0615 2.1154 2.1154 2.5419 2.5419 2.6077 2.6077 2.8078 2.8078 2.9778 2.9778 3.2311 3.2311 3.3586 3.3586 3.6722 3.6722 3.7405 3.7405 5.6147 5.6147 5.9220 5.9220 6.1419 6.1419 6.3163 6.3163 7.1066 7.1066 k = 0.4875-1.0474-0.2992 ( 7780 PWs) bands (ev): -8.4085 -8.4085 -8.3172 -8.3172 -7.7442 -7.7442 -7.5502 -7.5502 -6.7666 -6.7666 -6.6986 -6.6986 -6.2146 -6.2146 -6.1325 -6.1325 -0.8248 -0.8248 -0.5046 -0.5046 -0.2484 -0.2484 -0.2264 -0.2264 0.3772 0.3772 0.8065 0.8065 1.2368 1.2368 1.2900 1.2900 2.0617 2.0617 2.1100 2.1100 2.5435 2.5435 2.6132 2.6132 2.8024 2.8024 2.9746 2.9746 3.2321 3.2321 3.3538 3.3538 3.6819 3.6819 3.7244 3.7244 5.6110 5.6110 5.9232 5.9232 6.1467 6.1467 6.3079 6.3079 7.1229 7.1229 k = 0.5000-1.0743-0.3068 ( 7780 PWs) bands (ev): -8.4068 -8.4068 -8.3166 -8.3166 -7.7427 -7.7427 -7.5491 -7.5491 -6.7447 -6.7447 -6.7214 -6.7214 -6.1804 -6.1804 -6.1701 -6.1701 -0.8264 -0.8264 -0.5059 -0.5059 -0.2400 -0.2400 -0.2326 -0.2326 0.3783 0.3783 0.8084 0.8084 1.2341 1.2341 1.2823 1.2823 2.0618 2.0618 2.1080 2.1080 2.5439 2.5439 2.6152 2.6152 2.8005 2.8005 2.9735 2.9735 3.2326 3.2326 3.3520 3.3520 3.6877 3.6877 3.7166 3.7166 5.6098 5.6098 5.9236 5.9236 6.1485 6.1485 6.3049 6.3049 7.1284 7.1284 k = 0.5000-1.0743 0.3225 ( 7800 PWs) bands (ev): -8.4080 -8.4080 -8.3202 -8.3202 -7.6721 -7.6721 -7.6198 -7.6198 -6.7381 -6.7381 -6.7304 -6.7304 -6.1832 -6.1832 -6.1584 -6.1584 -0.7529 -0.7529 -0.6265 -0.6265 -0.3672 -0.3672 -0.0902 -0.0902 0.6107 0.6107 0.6386 0.6386 1.0764 1.0764 1.4596 1.4596 1.9729 1.9729 1.9775 1.9775 2.4047 2.4047 2.8363 2.8363 2.9070 2.9070 3.1141 3.1141 3.1967 3.1967 3.4816 3.4816 3.4885 3.4885 3.7172 3.7172 5.7483 5.7483 5.7883 5.7883 6.1483 6.1483 6.2217 6.2217 7.0939 7.0939 k = 0.4875-1.0474 0.3145 ( 7794 PWs) bands (ev): -8.4101 -8.4101 -8.3203 -8.3203 -7.6732 -7.6732 -7.6214 -7.6214 -6.7665 -6.7665 -6.7013 -6.7013 -6.2073 -6.2073 -6.1305 -6.1305 -0.7515 -0.7515 -0.6252 -0.6252 -0.3684 -0.3684 -0.0909 -0.0909 0.6029 0.6029 0.6432 0.6432 1.0819 1.0819 1.4636 1.4636 1.9594 1.9594 1.9948 1.9948 2.4056 2.4056 2.8346 2.8346 2.9081 2.9081 3.1101 3.1101 3.2007 3.2007 3.4767 3.4767 3.4934 3.4934 3.7187 3.7187 5.7482 5.7482 5.7903 5.7903 6.1479 6.1479 6.2238 6.2238 7.0882 7.0882 k = 0.4750-1.0206 0.3064 ( 7796 PWs) bands (ev): -8.4164 -8.4164 -8.3207 -8.3207 -7.6767 -7.6767 -7.6264 -7.6264 -6.7972 -6.7972 -6.6691 -6.6691 -6.2358 -6.2358 -6.0901 -6.0901 -0.7473 -0.7473 -0.6213 -0.6213 -0.3716 -0.3716 -0.0932 -0.0932 0.5863 0.5863 0.6507 0.6507 1.0982 1.0982 1.4752 1.4752 1.9480 1.9480 2.0173 2.0173 2.4084 2.4084 2.8296 2.8296 2.9110 2.9110 3.1002 3.1002 3.2106 3.2106 3.4695 3.4695 3.5008 3.5008 3.7229 3.7229 5.7482 5.7482 5.7958 5.7958 6.1471 6.1471 6.2300 6.2300 7.0712 7.0712 k = 0.4625-0.9937 0.2983 ( 7802 PWs) bands (ev): -8.4265 -8.4265 -8.3216 -8.3216 -7.6827 -7.6827 -7.6341 -7.6341 -6.8266 -6.8266 -6.6386 -6.6386 -6.2585 -6.2585 -6.0467 -6.0467 -0.7405 -0.7405 -0.6150 -0.6150 -0.3762 -0.3762 -0.0968 -0.0968 0.5660 0.5660 0.6571 0.6571 1.1242 1.1242 1.4934 1.4934 1.9414 1.9414 2.0426 2.0426 2.4132 2.4132 2.8221 2.8221 2.9146 2.9146 3.0881 3.0881 3.2233 3.2233 3.4622 3.4622 3.5088 3.5088 3.7298 3.7298 5.7486 5.7486 5.8044 5.8044 6.1463 6.1463 6.2397 6.2397 7.0434 7.0434 k = 0.4500-0.9669 0.2903 ( 7804 PWs) bands (ev): -8.4400 -8.4400 -8.3234 -8.3234 -7.6913 -7.6913 -7.6441 -7.6441 -6.8545 -6.8545 -6.6125 -6.6125 -6.2727 -6.2727 -6.0011 -6.0011 -0.7313 -0.7313 -0.6066 -0.6066 -0.3814 -0.3814 -0.1014 -0.1014 0.5434 0.5434 0.6621 0.6621 1.1584 1.1584 1.5170 1.5170 1.9401 1.9401 2.0703 2.0703 2.4199 2.4199 2.8128 2.8128 2.9179 2.9179 3.0764 3.0764 3.2368 3.2368 3.4554 3.4554 3.5176 3.5176 3.7387 3.7387 5.7499 5.7499 5.8155 5.8155 6.1458 6.1458 6.2523 6.2523 7.0056 7.0056 k = 0.4375-0.9400 0.2822 ( 7795 PWs) bands (ev): -8.4566 -8.4566 -8.3262 -8.3262 -7.7026 -7.7026 -7.6555 -7.6555 -6.8810 -6.8810 -6.5934 -6.5934 -6.2755 -6.2755 -5.9539 -5.9539 -0.7202 -0.7202 -0.5962 -0.5962 -0.3859 -0.3859 -0.1065 -0.1065 0.5195 0.5195 0.6663 0.6663 1.1993 1.1993 1.5443 1.5443 1.9449 1.9449 2.0997 2.0997 2.4286 2.4286 2.8023 2.8023 2.9196 2.9196 3.0675 3.0675 3.2498 3.2498 3.4493 3.4493 3.5274 3.5274 3.7495 3.7495 5.7523 5.7523 5.8286 5.8286 6.1459 6.1459 6.2673 6.2673 6.9588 6.9588 k = 0.4250-0.9131 0.2741 ( 7792 PWs) bands (ev): -8.4760 -8.4760 -8.3304 -8.3304 -7.7168 -7.7168 -7.6675 -7.6675 -6.9063 -6.9063 -6.5837 -6.5837 -6.2653 -6.2653 -5.9054 -5.9054 -0.7076 -0.7076 -0.5843 -0.5843 -0.3883 -0.3883 -0.1116 -0.1116 0.4947 0.4947 0.6702 0.6702 1.2448 1.2448 1.5739 1.5739 1.9564 1.9564 2.1304 2.1304 2.4392 2.4392 2.7911 2.7911 2.9184 2.9184 3.0635 3.0635 3.2618 3.2618 3.4445 3.4445 3.5386 3.5386 3.7615 3.7615 5.7558 5.7558 5.8434 5.8434 6.1468 6.1468 6.2841 6.2841 6.9039 6.9039 k = 0.4125-0.8863 0.2661 ( 7780 PWs) bands (ev): -8.4979 -8.4979 -8.3360 -8.3360 -7.7335 -7.7335 -7.6799 -7.6799 -6.9304 -6.9304 -6.5834 -6.5834 -6.2421 -6.2421 -5.8561 -5.8561 -0.6943 -0.6943 -0.5715 -0.5715 -0.3868 -0.3868 -0.1160 -0.1160 0.4696 0.4696 0.6745 0.6745 1.2929 1.2929 1.6048 1.6048 1.9746 1.9746 2.1616 2.1616 2.4518 2.4518 2.7795 2.7795 2.9136 2.9136 3.0658 3.0658 3.2724 3.2724 3.4411 3.4411 3.5513 3.5513 3.7745 3.7745 5.7602 5.7602 5.8594 5.8594 6.1484 6.1484 6.3022 6.3022 6.8424 6.8424 k = 0.4000-0.8594 0.2580 ( 7788 PWs) bands (ev): -8.5220 -8.5220 -8.3430 -8.3430 -7.7524 -7.7524 -7.6923 -7.6923 -6.9536 -6.9536 -6.5908 -6.5908 -6.2083 -6.2083 -5.8062 -5.8062 -0.6810 -0.6810 -0.5581 -0.5581 -0.3799 -0.3799 -0.1191 -0.1191 0.4445 0.4445 0.6794 0.6794 1.3410 1.3410 1.6373 1.6373 1.9993 1.9993 2.1927 2.1927 2.4663 2.4663 2.7683 2.7683 2.9055 2.9055 3.0749 3.0749 3.2814 3.2814 3.4397 3.4397 3.5659 3.5659 3.7880 3.7880 5.7655 5.7655 5.8761 5.8761 6.1506 6.1506 6.3209 6.3209 6.7753 6.7753 k = 0.3875-0.8326 0.2500 ( 7790 PWs) bands (ev): -8.5482 -8.5482 -8.3516 -8.3516 -7.7727 -7.7727 -7.7047 -7.7047 -6.9760 -6.9760 -6.6032 -6.6032 -6.1669 -6.1669 -5.7561 -5.7561 -0.6682 -0.6682 -0.5443 -0.5443 -0.3664 -0.3664 -0.1203 -0.1203 0.4197 0.4197 0.6852 0.6852 1.3863 1.3863 1.6724 1.6724 2.0294 2.0294 2.2232 2.2232 2.4825 2.4825 2.7580 2.7580 2.8952 2.8952 3.0907 3.0907 3.2889 3.2889 3.4402 3.4402 3.5822 3.5822 3.8020 3.8020 5.7713 5.7713 5.8931 5.8931 6.1532 6.1532 6.3393 6.3393 6.7043 6.7043 k = 0.3750-0.8057 0.2419 ( 7792 PWs) bands (ev): -8.5761 -8.5761 -8.3616 -8.3616 -7.7940 -7.7940 -7.7172 -7.7172 -6.9976 -6.9976 -6.6187 -6.6187 -6.1204 -6.1204 -5.7062 -5.7062 -0.6564 -0.6564 -0.5300 -0.5300 -0.3458 -0.3458 -0.1189 -0.1189 0.3955 0.3955 0.6922 0.6922 1.4260 1.4260 1.7120 1.7120 2.0631 2.0631 2.2523 2.2523 2.4998 2.4998 2.7497 2.7497 2.8842 2.8842 3.1125 3.1125 3.2953 3.2953 3.4430 3.4430 3.6004 3.6004 3.8161 3.8161 5.7774 5.7774 5.9096 5.9096 6.1558 6.1558 6.3558 6.3558 6.6309 6.6309 k = 0.3625-0.7789 0.2338 ( 7799 PWs) bands (ev): -8.6054 -8.6054 -8.3730 -8.3730 -7.8157 -7.8157 -7.7297 -7.7297 -7.0186 -7.0186 -6.6358 -6.6358 -6.0707 -6.0707 -5.6567 -5.6567 -0.6454 -0.6454 -0.5148 -0.5148 -0.3182 -0.3182 -0.1145 -0.1145 0.3722 0.3722 0.7006 0.7006 1.4578 1.4578 1.7577 1.7577 2.0983 2.0983 2.2795 2.2795 2.5174 2.5174 2.7442 2.7442 2.8741 2.8741 3.1396 3.1396 3.3010 3.3010 3.4479 3.4479 3.6202 3.6202 3.8302 3.8302 5.7833 5.7833 5.9244 5.9244 6.1578 6.1578 6.3681 6.3681 6.5576 6.5576 k = 0.3500-0.7520 0.2258 ( 7799 PWs) bands (ev): -8.6360 -8.6360 -8.3859 -8.3859 -7.8374 -7.8374 -7.7422 -7.7422 -7.0391 -7.0391 -6.6538 -6.6538 -6.0190 -6.0190 -5.6079 -5.6079 -0.6345 -0.6345 -0.4986 -0.4986 -0.2842 -0.2842 -0.1069 -0.1069 0.3498 0.3498 0.7104 0.7104 1.4811 1.4811 1.8095 1.8095 2.1328 2.1328 2.3046 2.3046 2.5344 2.5344 2.7425 2.7425 2.8665 2.8665 3.1714 3.1714 3.3066 3.3066 3.4552 3.4552 3.6414 3.6414 3.8441 3.8441 5.7883 5.7883 5.9359 5.9359 6.1581 6.1581 6.3721 6.3721 6.4881 6.4881 k = 0.3375-0.7251 0.2177 ( 7791 PWs) bands (ev): -8.6676 -8.6676 -8.4000 -8.4000 -7.8588 -7.8588 -7.7546 -7.7546 -7.0590 -7.0590 -6.6721 -6.6721 -5.9663 -5.9663 -5.5600 -5.5600 -0.6229 -0.6229 -0.4811 -0.4811 -0.2445 -0.2445 -0.0962 -0.0962 0.3287 0.3287 0.7220 0.7220 1.4967 1.4967 1.8660 1.8660 2.1648 2.1648 2.3271 2.3271 2.5501 2.5501 2.7443 2.7443 2.8636 2.8636 3.2069 3.2069 3.3128 3.3128 3.4650 3.4650 3.6637 3.6637 3.8580 3.8580 5.7917 5.7917 5.9415 5.9415 6.1554 6.1554 6.3599 6.3599 6.4308 6.4308 k = 0.3250-0.6983 0.2096 ( 7797 PWs) bands (ev): -8.6999 -8.6999 -8.4154 -8.4154 -7.8797 -7.8797 -7.7669 -7.7669 -7.0784 -7.0784 -6.6904 -6.6904 -5.9133 -5.9133 -5.5134 -5.5134 -0.6096 -0.6096 -0.4623 -0.4623 -0.1999 -0.1999 -0.0825 -0.0825 0.3092 0.3092 0.7355 0.7355 1.5061 1.5061 1.9244 1.9244 2.1936 2.1936 2.3463 2.3463 2.5647 2.5647 2.7478 2.7478 2.8680 2.8680 3.2443 3.2443 3.3211 3.3211 3.4778 3.4778 3.6868 3.6868 3.8718 3.8718 5.7922 5.7922 5.9377 5.9377 6.1477 6.1477 6.3246 6.3246 6.3964 6.3964 k = 0.3125-0.6714 0.2016 ( 7797 PWs) bands (ev): -8.7327 -8.7327 -8.4319 -8.4319 -7.8999 -7.8999 -7.7791 -7.7791 -7.0973 -7.0973 -6.7086 -6.7086 -5.8606 -5.8606 -5.4683 -5.4683 -0.5935 -0.5935 -0.4418 -0.4418 -0.1513 -0.1513 -0.0662 -0.0662 0.2916 0.2916 0.7512 0.7512 1.5106 1.5106 1.9814 1.9814 2.2196 2.2196 2.3612 2.3612 2.5799 2.5799 2.7505 2.7505 2.8815 2.8815 3.2791 3.2791 3.3349 3.3349 3.4940 3.4940 3.7102 3.7102 3.8855 3.8855 5.7880 5.7880 5.9207 5.9207 6.1333 6.1333 6.2841 6.2841 6.3759 6.3759 k = 0.3000-0.6446 0.1935 ( 7790 PWs) bands (ev): -8.7657 -8.7657 -8.4493 -8.4493 -7.9194 -7.9194 -7.7910 -7.7910 -7.1158 -7.1158 -6.7265 -6.7265 -5.8086 -5.8086 -5.4248 -5.4248 -0.5741 -0.5741 -0.4196 -0.4196 -0.1003 -0.1003 -0.0469 -0.0469 0.2762 0.2762 0.7694 0.7694 1.5115 1.5115 2.0328 2.0328 2.2453 2.2453 2.3709 2.3709 2.5976 2.5976 2.7514 2.7514 2.9035 2.9035 3.3026 3.3026 3.3618 3.3618 3.5139 3.5139 3.7334 3.7334 3.8995 3.8995 5.7765 5.7765 5.8891 5.8891 6.1109 6.1109 6.2558 6.2558 6.3623 6.3623 k = 0.2875-0.6177 0.1854 ( 7787 PWs) bands (ev): -8.7988 -8.7988 -8.4676 -8.4676 -7.9378 -7.9378 -7.8026 -7.8026 -7.1337 -7.1337 -6.7440 -6.7440 -5.7577 -5.7577 -5.3832 -5.3832 -0.5506 -0.5506 -0.3952 -0.3952 -0.0541 -0.0541 -0.0190 -0.0190 0.2634 0.2634 0.7904 0.7904 1.5097 1.5097 2.0736 2.0736 2.2731 2.2731 2.3764 2.3764 2.6184 2.6184 2.7513 2.7513 2.9317 2.9317 3.3145 3.3145 3.4006 3.4006 3.5375 3.5375 3.7559 3.7559 3.9140 3.9140 5.7542 5.7542 5.8464 5.8464 6.0836 6.0836 6.2431 6.2431 6.3552 6.3552 k = 0.2750-0.5909 0.1774 ( 7787 PWs) bands (ev): -8.8316 -8.8316 -8.4865 -8.4865 -7.9554 -7.9554 -7.8140 -7.8140 -7.1513 -7.1513 -6.7612 -6.7612 -5.7082 -5.7082 -5.3437 -5.3437 -0.5226 -0.5226 -0.3684 -0.3684 -0.0263 -0.0263 0.0296 0.0296 0.2539 0.2539 0.8144 0.8144 1.5057 1.5057 2.1005 2.1005 2.3016 2.3016 2.3825 2.3825 2.6419 2.6419 2.7517 2.7517 2.9633 2.9633 3.3214 3.3214 3.4433 3.4433 3.5642 3.5642 3.7774 3.7774 3.9293 3.9293 5.7184 5.7184 5.7991 5.7991 6.0577 6.0577 6.2419 6.2419 6.3534 6.3534 k = 0.2625-0.5640 0.1693 ( 7795 PWs) bands (ev): -8.8641 -8.8641 -8.5060 -8.5060 -7.9719 -7.9719 -7.8250 -7.8250 -7.1683 -7.1683 -6.7779 -6.7779 -5.6603 -5.6603 -5.3062 -5.3062 -0.4898 -0.4898 -0.3392 -0.3392 -0.0082 -0.0082 0.0886 0.0886 0.2483 0.2483 0.8418 0.8418 1.5002 1.5002 2.1144 2.1144 2.3187 2.3187 2.4013 2.4013 2.6660 2.6660 2.7546 2.7546 2.9965 2.9965 3.3257 3.3257 3.4857 3.4857 3.5924 3.5924 3.7977 3.7977 3.9459 3.9459 5.6702 5.6702 5.7520 5.7520 6.0382 6.0382 6.2473 6.2473 6.3551 6.3551 k = 0.2500-0.5371 0.1613 ( 7795 PWs) bands (ev): -8.8960 -8.8960 -8.5257 -8.5257 -7.9875 -7.9875 -7.8356 -7.8356 -7.1848 -7.1848 -6.7941 -6.7941 -5.6144 -5.6144 -5.2711 -5.2711 -0.4520 -0.4520 -0.3076 -0.3076 0.0068 0.0068 0.1491 0.1491 0.2485 0.2485 0.8727 0.8727 1.4936 1.4936 2.1185 2.1185 2.3175 2.3175 2.4365 2.4365 2.6876 2.6876 2.7628 2.7628 3.0302 3.0302 3.3284 3.3284 3.5252 3.5252 3.6203 3.6203 3.8171 3.8171 3.9639 3.9639 5.6155 5.6155 5.7074 5.7074 6.0258 6.0258 6.2554 6.2554 6.3586 6.3586 k = 0.2375-0.5103 0.1532 ( 7804 PWs) bands (ev): -8.9271 -8.9271 -8.5457 -8.5457 -8.0020 -8.0020 -7.8459 -7.8459 -7.2008 -7.2008 -6.8098 -6.8098 -5.5705 -5.5705 -5.2382 -5.2382 -0.4091 -0.4091 -0.2741 -0.2741 0.0201 0.0201 0.2010 0.2010 0.2630 0.2630 0.9072 0.9072 1.4862 1.4862 2.1161 2.1161 2.3063 2.3063 2.4765 2.4765 2.7035 2.7035 2.7795 2.7795 3.0636 3.0636 3.3298 3.3298 3.5590 3.5590 3.6462 3.6462 3.8363 3.8363 3.9830 3.9830 5.5603 5.5603 5.6671 5.6671 6.0192 6.0192 6.2641 6.2641 6.3629 6.3629 k = 0.2250-0.4834 0.1451 ( 7804 PWs) bands (ev): -8.9574 -8.9574 -8.5656 -8.5656 -8.0156 -8.0156 -7.8558 -7.8558 -7.2162 -7.2162 -6.8249 -6.8249 -5.5289 -5.5289 -5.2078 -5.2078 -0.3610 -0.3610 -0.2398 -0.2398 0.0335 0.0335 0.2250 0.2250 0.3099 0.3099 0.9450 0.9450 1.4785 1.4785 2.1095 2.1095 2.2905 2.2905 2.5130 2.5130 2.7132 2.7132 2.8047 2.8047 3.0960 3.0960 3.3304 3.3304 3.5832 3.5832 3.6704 3.6704 3.8564 3.8564 4.0025 4.0025 5.5090 5.5090 5.6338 5.6338 6.0167 6.0167 6.2717 6.2717 6.3673 6.3673 k = 0.2125-0.4566 0.1371 ( 7808 PWs) bands (ev): -8.9866 -8.9866 -8.5853 -8.5853 -8.0283 -8.0283 -7.8653 -7.8653 -7.2311 -7.2311 -6.8395 -6.8395 -5.4896 -5.4896 -5.1797 -5.1797 -0.3079 -0.3079 -0.2063 -0.2063 0.0489 0.0489 0.2348 0.2348 0.3746 0.3746 0.9861 0.9861 1.4708 1.4708 2.1001 2.1001 2.2722 2.2722 2.5425 2.5425 2.7192 2.7192 2.8351 2.8351 3.1261 3.1261 3.3311 3.3311 3.5940 3.5940 3.6943 3.6943 3.8775 3.8775 4.0217 4.0217 5.4647 5.4647 5.6097 5.6097 6.0168 6.0168 6.2773 6.2773 6.3714 6.3714 k = 0.2000-0.4297 0.1290 ( 7808 PWs) bands (ev): -9.0147 -9.0147 -8.6046 -8.6046 -8.0400 -8.0400 -7.8743 -7.8743 -7.2454 -7.2454 -6.8534 -6.8534 -5.4528 -5.4528 -5.1539 -5.1539 -0.2502 -0.2502 -0.1757 -0.1757 0.0692 0.0692 0.2429 0.2429 0.4438 0.4438 1.0299 1.0299 1.4636 1.4636 2.0889 2.0889 2.2523 2.2523 2.5638 2.5638 2.7230 2.7230 2.8665 2.8665 3.1521 3.1521 3.3331 3.3331 3.5909 3.5909 3.7186 3.7186 3.8994 3.8994 4.0395 4.0395 5.4298 5.4298 5.5959 5.5959 6.0187 6.0187 6.2800 6.2800 6.3750 6.3750 k = 0.1875-0.4029 0.1209 ( 7802 PWs) bands (ev): -9.0416 -9.0416 -8.6235 -8.6235 -8.0508 -8.0508 -7.8829 -7.8829 -7.2590 -7.2590 -6.8667 -6.8667 -5.4184 -5.4184 -5.1305 -5.1305 -0.1895 -0.1895 -0.1489 -0.1489 0.0963 0.0963 0.2524 0.2524 0.5143 0.5143 1.0756 1.0756 1.4572 1.4572 2.0766 2.0766 2.2314 2.2314 2.5773 2.5773 2.7250 2.7250 2.8946 2.8946 3.1720 3.1720 3.3383 3.3383 3.5768 3.5768 3.7424 3.7424 3.9210 3.9210 4.0555 4.0555 5.4055 5.4055 5.5928 5.5928 6.0219 6.0219 6.2796 6.2796 6.3781 6.3781 k = 0.1750-0.3760 0.1129 ( 7797 PWs) bands (ev): -9.0671 -9.0671 -8.6418 -8.6418 -8.0608 -8.0608 -7.8910 -7.8910 -7.2720 -7.2720 -6.8793 -6.8793 -5.3865 -5.3865 -5.1093 -5.1093 -0.1438 -0.1438 -0.1095 -0.1095 0.1297 0.1297 0.2658 0.2658 0.5851 0.5851 1.1225 1.1225 1.4522 1.4522 2.0635 2.0635 2.2097 2.2097 2.5842 2.5842 2.7251 2.7251 2.9147 2.9147 3.1842 3.1842 3.3469 3.3469 3.5566 3.5566 3.7652 3.7652 3.9415 3.9415 4.0694 4.0694 5.3921 5.3921 5.5994 5.5994 6.0265 6.0265 6.2764 6.2764 6.3808 6.3808 k = 0.1625-0.3491 0.1048 ( 7798 PWs) bands (ev): -9.0912 -9.0912 -8.6592 -8.6592 -8.0699 -8.0699 -7.8986 -7.8986 -7.2843 -7.2843 -6.8912 -6.8912 -5.3572 -5.3572 -5.0902 -5.0902 -0.1286 -0.1286 -0.0420 -0.0420 0.1641 0.1641 0.2882 0.2882 0.6551 0.6551 1.1694 1.1694 1.4494 1.4494 2.0496 2.0496 2.1873 2.1873 2.5854 2.5854 2.7227 2.7227 2.9223 2.9223 3.1888 3.1888 3.3565 3.3565 3.5367 3.5367 3.7875 3.7875 3.9606 3.9606 4.0815 4.0815 5.3887 5.3887 5.6139 5.6139 6.0327 6.0327 6.2708 6.2708 6.3830 6.3830 k = 0.1500-0.3223 0.0968 ( 7798 PWs) bands (ev): -9.1138 -9.1138 -8.6759 -8.6759 -8.0783 -8.0783 -7.9058 -7.9058 -7.2958 -7.2958 -6.9023 -6.9023 -5.3303 -5.3303 -5.0733 -5.0733 -0.1220 -0.1220 0.0327 0.0327 0.1913 0.1913 0.3266 0.3266 0.7238 0.7238 1.2149 1.2149 1.4496 1.4496 2.0352 2.0352 2.1644 2.1644 2.5817 2.5817 2.7173 2.7173 2.9152 2.9152 3.1852 3.1852 3.3628 3.3628 3.5244 3.5244 3.8100 3.8100 3.9785 3.9785 4.0922 4.0922 5.3936 5.3936 5.6335 5.6335 6.0412 6.0412 6.2638 6.2638 6.3851 6.3851 k = 0.1375-0.2954 0.0887 ( 7798 PWs) bands (ev): -9.1348 -9.1348 -8.6915 -8.6915 -8.0858 -8.0858 -7.9124 -7.9124 -7.3065 -7.3065 -6.9127 -6.9127 -5.3058 -5.3058 -5.0583 -5.0583 -0.1193 -0.1193 0.1101 0.1101 0.2093 0.2093 0.3826 0.3826 0.7904 0.7904 1.2569 1.2569 1.4539 1.4539 2.0199 2.0199 2.1411 2.1411 2.5732 2.5732 2.7081 2.7081 2.8945 2.8945 3.1702 3.1702 3.3650 3.3650 3.5246 3.5246 3.8337 3.8337 3.9957 3.9957 4.1018 4.1018 5.4043 5.4043 5.6551 5.6551 6.0531 6.0531 6.2565 6.2565 6.3871 6.3871 k = 0.1250-0.2686 0.0806 ( 7808 PWs) bands (ev): -9.1541 -9.1541 -8.7061 -8.7061 -8.0927 -8.0927 -7.9186 -7.9186 -7.3165 -7.3165 -6.9223 -6.9223 -5.2838 -5.2838 -5.0452 -5.0452 -0.1189 -0.1189 0.1808 0.1808 0.2295 0.2295 0.4513 0.4513 0.8540 0.8540 1.2937 1.2937 1.4636 1.4636 2.0034 2.0034 2.1173 2.1173 2.5595 2.5595 2.6944 2.6944 2.8650 2.8650 3.1406 3.1406 3.3678 3.3678 3.5347 3.5347 3.8592 3.8592 4.0125 4.0125 4.1108 4.1108 5.4183 5.4183 5.6751 5.6751 6.0695 6.0695 6.2503 6.2503 6.3893 6.3893 k = 0.1125-0.2417 0.0726 ( 7802 PWs) bands (ev): -9.1718 -9.1718 -8.7195 -8.7195 -8.0988 -8.0988 -7.9242 -7.9242 -7.3256 -7.3256 -6.9311 -6.9311 -5.2641 -5.2641 -5.0337 -5.0337 -0.1198 -0.1198 0.2083 0.2083 0.2911 0.2911 0.5283 0.5283 0.9141 0.9141 1.3238 1.3238 1.4790 1.4790 1.9848 1.9848 2.0935 2.0935 2.5396 2.5396 2.6752 2.6752 2.8330 2.8330 3.0978 3.0978 3.3744 3.3744 3.5495 3.5495 3.8865 3.8865 4.0292 4.0292 4.1194 4.1194 5.4332 5.4332 5.6903 5.6903 6.0911 6.0911 6.2465 6.2465 6.3921 6.3921 k = 0.1000-0.2149 0.0645 ( 7798 PWs) bands (ev): -9.1877 -9.1877 -8.7317 -8.7317 -8.1042 -8.1042 -7.9292 -7.9292 -7.3338 -7.3338 -6.9390 -6.9390 -5.2467 -5.2467 -5.0239 -5.0239 -0.1215 -0.1215 0.2139 0.2139 0.3734 0.3734 0.6109 0.6109 0.9701 0.9701 1.3477 1.3477 1.4983 1.4983 1.9631 1.9631 2.0698 2.0698 2.5122 2.5122 2.6512 2.6512 2.8042 2.8042 3.0468 3.0468 3.3839 3.3839 3.5649 3.5649 3.9155 3.9155 4.0456 4.0456 4.1278 4.1278 5.4471 5.4471 5.6988 5.6988 6.1178 6.1178 6.2460 6.2460 6.3954 6.3954 k = 0.0875-0.1880 0.0564 ( 7803 PWs) bands (ev): -9.2018 -9.2018 -8.7425 -8.7425 -8.1089 -8.1089 -7.9337 -7.9337 -7.3412 -7.3412 -6.9460 -6.9460 -5.2315 -5.2315 -5.0156 -5.0156 -0.1235 -0.1235 0.2158 0.2158 0.4579 0.4579 0.6973 0.6973 1.0215 1.0215 1.3673 1.3673 1.5175 1.5175 1.9367 1.9367 2.0472 2.0472 2.4773 2.4773 2.6250 2.6250 2.7810 2.7810 2.9928 2.9928 3.3945 3.3945 3.5789 3.5789 3.9452 3.9452 4.0611 4.0611 4.1365 4.1365 5.4588 5.4588 5.7000 5.7000 6.1478 6.1478 6.2497 6.2497 6.3995 6.3995 k = 0.0750-0.1611 0.0484 ( 7809 PWs) bands (ev): -9.2141 -9.2141 -8.7521 -8.7521 -8.1129 -8.1129 -7.9377 -7.9377 -7.3476 -7.3476 -6.9521 -6.9521 -5.2185 -5.2185 -5.0087 -5.0087 -0.1255 -0.1255 0.2162 0.2162 0.5410 0.5410 0.7860 0.7860 1.0687 1.0687 1.3847 1.3847 1.5321 1.5321 1.9038 1.9038 2.0264 2.0264 2.4375 2.4375 2.5994 2.5994 2.7633 2.7633 2.9399 2.9399 3.4049 3.4049 3.5904 3.5904 3.9747 3.9747 4.0747 4.0747 4.1457 4.1457 5.4680 5.4680 5.6949 5.6949 6.1775 6.1775 6.2591 6.2591 6.4040 6.4040 k = 0.0625-0.1343 0.0403 ( 7814 PWs) bands (ev): -9.2246 -9.2246 -8.7602 -8.7602 -8.1164 -8.1164 -7.9410 -7.9410 -7.3530 -7.3530 -6.9573 -6.9573 -5.2075 -5.2075 -5.0030 -5.0030 -0.1274 -0.1274 0.2159 0.2159 0.6196 0.6196 0.8756 0.8756 1.1124 1.1124 1.4013 1.4013 1.5382 1.5382 1.8629 1.8629 2.0086 2.0086 2.3978 2.3978 2.5759 2.5759 2.7497 2.7497 2.8911 2.8911 3.4142 3.4142 3.5995 3.5995 4.0027 4.0027 4.0855 4.0855 4.1556 4.1556 5.4747 5.4747 5.6853 5.6853 6.2019 6.2019 6.2759 6.2759 6.4084 6.4084 k = 0.0500-0.1074 0.0323 ( 7812 PWs) bands (ev): -9.2332 -9.2332 -8.7670 -8.7670 -8.1191 -8.1191 -7.9438 -7.9438 -7.3575 -7.3575 -6.9616 -6.9616 -5.1987 -5.1987 -4.9985 -4.9985 -0.1290 -0.1290 0.2154 0.2154 0.6906 0.6906 0.9645 0.9645 1.1537 1.1537 1.4166 1.4166 1.5335 1.5335 1.8138 1.8138 1.9944 1.9944 2.3632 2.3632 2.5549 2.5549 2.7396 2.7396 2.8487 2.8487 3.4222 3.4222 3.6062 3.6062 4.0282 4.0282 4.0931 4.0931 4.1658 4.1658 5.4794 5.4794 5.6734 5.6734 6.2183 6.2183 6.3000 6.3000 6.4119 6.4119 k = 0.0375-0.0806 0.0242 ( 7816 PWs) bands (ev): -9.2399 -9.2399 -8.7722 -8.7722 -8.1213 -8.1213 -7.9459 -7.9459 -7.3611 -7.3611 -6.9650 -6.9650 -5.1918 -5.1918 -4.9950 -4.9950 -0.1303 -0.1303 0.2148 0.2148 0.7502 0.7502 1.0504 1.0504 1.1933 1.1933 1.4281 1.4281 1.5201 1.5201 1.7578 1.7578 1.9841 1.9841 2.3369 2.3369 2.5368 2.5368 2.7324 2.7324 2.8142 2.8142 3.4287 3.4287 3.6109 3.6109 4.0502 4.0502 4.0974 4.0974 4.1753 4.1753 5.4825 5.4825 5.6613 5.6613 6.2282 6.2282 6.3271 6.3271 6.4133 6.4133 k = 0.0250-0.0537 0.0161 ( 7823 PWs) bands (ev): -9.2447 -9.2447 -8.7760 -8.7760 -8.1228 -8.1228 -7.9474 -7.9474 -7.3636 -7.3636 -6.9674 -6.9674 -5.1869 -5.1869 -4.9927 -4.9927 -0.1313 -0.1313 0.2143 0.2143 0.7949 0.7949 1.1305 1.1305 1.2289 1.2289 1.4269 1.4269 1.5100 1.5100 1.6989 1.6989 1.9775 1.9775 2.3196 2.3196 2.5227 2.5227 2.7280 2.7280 2.7883 2.7883 3.4333 3.4333 3.6139 3.6139 4.0682 4.0682 4.0986 4.0986 4.1830 4.1830 5.4847 5.4847 5.6509 5.6509 6.2342 6.2342 6.3527 6.3527 6.4115 6.4115 k = 0.0125-0.0269 0.0081 ( 7828 PWs) bands (ev): -9.2476 -9.2476 -8.7783 -8.7783 -8.1237 -8.1237 -7.9484 -7.9484 -7.3651 -7.3651 -6.9688 -6.9688 -5.1840 -5.1840 -4.9912 -4.9912 -0.1319 -0.1319 0.2139 0.2139 0.8223 0.8223 1.1989 1.1989 1.2519 1.2519 1.4070 1.4070 1.5179 1.5179 1.6456 1.6456 1.9740 1.9740 2.3101 2.3101 2.5135 2.5135 2.7261 2.7261 2.7719 2.7719 3.4362 3.4362 3.6156 3.6156 4.0818 4.0818 4.0967 4.0967 4.1879 4.1879 5.4859 5.4859 5.6440 5.6440 6.2374 6.2374 6.3740 6.3740 6.4059 6.4059 k = 0.0000 0.0000 0.0000 ( 7819 PWs) bands (ev): -9.2485 -9.2485 -8.7790 -8.7790 -8.1240 -8.1240 -7.9487 -7.9487 -7.3656 -7.3656 -6.9693 -6.9693 -5.1830 -5.1830 -4.9908 -4.9908 -0.1321 -0.1321 0.2138 0.2138 0.8316 0.8316 1.2388 1.2388 1.2500 1.2500 1.3928 1.3928 1.5289 1.5289 1.6192 1.6192 1.9729 1.9729 2.3072 2.3072 2.5103 2.5103 2.7257 2.7257 2.7662 2.7662 3.4371 3.4371 3.6162 3.6162 4.0905 4.0905 4.0918 4.0918 4.1897 4.1897 5.4863 5.4863 5.6415 5.6415 6.2384 6.2384 6.3855 6.3855 6.3998 6.3998 Writing output data file TeI.save init_run : 3.59s CPU 13.00s WALL ( 1 calls) electrons : 1474.96s CPU 1484.20s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.44s CPU 1.50s WALL ( 1 calls) Called by electrons: c_bands : 1474.90s CPU 1483.82s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.91s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.60s WALL ( 1 calls) newd : 0.91s CPU 0.97s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.19s WALL ( 307 calls) cegterg : 1388.57s CPU 1395.35s WALL ( 618 calls) Called by sum_band: Called by *egterg: h_psi : 856.77s CPU 865.46s WALL ( 11232 calls) s_psi : 91.05s CPU 91.39s WALL ( 11232 calls) g_psi : 1.57s CPU 1.48s WALL ( 10307 calls) cdiaghg : 305.22s CPU 302.99s WALL ( 10614 calls) cegterg:over : 92.69s CPU 89.99s WALL ( 10307 calls) cegterg:upda : 32.07s CPU 35.24s WALL ( 10307 calls) cegterg:last : 24.94s CPU 25.66s WALL ( 1846 calls) Called by h_psi: h_psi:vloc : 689.78s CPU 696.16s WALL ( 11232 calls) h_psi:vnl : 166.31s CPU 167.94s WALL ( 11232 calls) add_vuspsi : 69.68s CPU 73.50s WALL ( 11232 calls) General routines calbec : 96.57s CPU 94.36s WALL ( 11232 calls) fft : 0.40s CPU 1.17s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 647.15s CPU 651.01s WALL ( 1398536 calls) interpolate : 0.11s CPU 0.18s WALL ( 4 calls) davcio : 0.03s CPU 2.31s WALL ( 614 calls) Parallel routines fft_scatter : 328.50s CPU 327.83s WALL ( 1398559 calls) PWSCF : 25m56.22s CPU 29m 4.37s WALL This run was terminated on: 3:18:47 22May2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=