Program PWSCF v.5.1.1 starts on 18Jul2015 at 0:47:14 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./BiI.save/ 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 61 61 17 3597 3597 534 Max 62 62 18 3603 3603 539 Sum 1965 1965 547 115207 115207 17109 bravais-lattice index = 14 lattice parameter (alat) = 14.2227 a.u. unit-cell volume = 2147.5102 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 216.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 14.222680 celldm(2)= 1.000000 celldm(3)= 1.394174 celldm(4)= 0.293268 celldm(5)= 0.293268 celldm(6)= 0.826774 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.826774 0.562534 0.000000 ) a(3) = ( 0.408867 0.125906 1.326913 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.469733 -0.168677 ) b(2) = ( 0.000000 1.777671 -0.168677 ) b(3) = ( 0.000000 0.000000 0.753629 ) PseudoPot. # 1 for Bi read from file: /home/autes/Pseudo/Bi_MT_PBE.UPF MD5 check sum: b574f8a1102dd4d1778b4090b55884d0 Pseudo is Norm-conserving, Zval = 5.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1283 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 PseudoPot. # 2 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential Bi 5.00 208.98040 Bi( 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= 293 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0217391 0.0066943 -0.0073338), wk = 0.0034130 k( 3) = ( 0.0434783 0.0133886 -0.0146675), wk = 0.0034130 k( 4) = ( 0.0652174 0.0200829 -0.0220013), wk = 0.0034130 k( 5) = ( 0.0869565 0.0267772 -0.0293351), wk = 0.0034130 k( 6) = ( 0.1086957 0.0334716 -0.0366689), wk = 0.0034130 k( 7) = ( 0.1304348 0.0401659 -0.0440026), wk = 0.0034130 k( 8) = ( 0.1521739 0.0468602 -0.0513364), wk = 0.0034130 k( 9) = ( 0.1739130 0.0535545 -0.0586702), wk = 0.0034130 k( 10) = ( 0.1956522 0.0602488 -0.0660039), wk = 0.0034130 k( 11) = ( 0.2173913 0.0669431 -0.0733377), wk = 0.0034130 k( 12) = ( 0.2391304 0.0736374 -0.0806715), wk = 0.0034130 k( 13) = ( 0.2608696 0.0803317 -0.0880053), wk = 0.0034130 k( 14) = ( 0.2826087 0.0870260 -0.0953390), wk = 0.0034130 k( 15) = ( 0.3043478 0.0937203 -0.1026728), wk = 0.0034130 k( 16) = ( 0.3260870 0.1004147 -0.1100066), wk = 0.0034130 k( 17) = ( 0.3478261 0.1071090 -0.1173403), wk = 0.0034130 k( 18) = ( 0.3695652 0.1138033 -0.1246741), wk = 0.0034130 k( 19) = ( 0.3913044 0.1204976 -0.1320079), wk = 0.0034130 k( 20) = ( 0.4130435 0.1271919 -0.1393417), wk = 0.0034130 k( 21) = ( 0.4347826 0.1338862 -0.1466754), wk = 0.0034130 k( 22) = ( 0.4565217 0.1405805 -0.1540092), wk = 0.0034130 k( 23) = ( 0.4782609 0.1472748 -0.1613430), wk = 0.0034130 k( 24) = ( 0.5000000 0.1539691 -0.1686767), wk = 0.0034130 k( 25) = ( 0.5000000 0.1539691 -0.1686767), wk = 0.0034130 k( 26) = ( 0.5064134 0.1559441 -0.1478630), wk = 0.0034130 k( 27) = ( 0.5128269 0.1579190 -0.1270492), wk = 0.0034130 k( 28) = ( 0.5192403 0.1598940 -0.1062354), wk = 0.0034130 k( 29) = ( 0.5256538 0.1618689 -0.0854216), wk = 0.0034130 k( 30) = ( 0.5320672 0.1638439 -0.0646078), wk = 0.0034130 k( 31) = ( 0.5384807 0.1658188 -0.0437940), wk = 0.0034130 k( 32) = ( 0.5448941 0.1677937 -0.0229803), wk = 0.0034130 k( 33) = ( 0.5513075 0.1697687 -0.0021665), wk = 0.0034130 k( 34) = ( 0.5577210 0.1717436 0.0186473), wk = 0.0034130 k( 35) = ( 0.5641344 0.1737186 0.0394611), wk = 0.0034130 k( 36) = ( 0.5641344 0.1737186 0.0394611), wk = 0.0034130 k( 37) = ( 0.5561176 0.1712499 0.0605457), wk = 0.0034130 k( 38) = ( 0.5481008 0.1687812 0.0816303), wk = 0.0034130 k( 39) = ( 0.5400840 0.1663125 0.1027149), wk = 0.0034130 k( 40) = ( 0.5320672 0.1638439 0.1237995), wk = 0.0034130 k( 41) = ( 0.5240504 0.1613752 0.1448840), wk = 0.0034130 k( 42) = ( 0.5160336 0.1589065 0.1659686), wk = 0.0034130 k( 43) = ( 0.5080168 0.1564378 0.1870532), wk = 0.0034130 k( 44) = ( 0.5000000 0.1539691 0.2081378), wk = 0.0034130 k( 45) = ( 0.5000000 0.1539691 0.2081378), wk = 0.0034130 k( 46) = ( 0.5069070 0.1315392 0.2081378), wk = 0.0034130 k( 47) = ( 0.5138141 0.1091092 0.2081378), wk = 0.0034130 k( 48) = ( 0.5207211 0.0866793 0.2081378), wk = 0.0034130 k( 49) = ( 0.5276282 0.0642493 0.2081378), wk = 0.0034130 k( 50) = ( 0.5345352 0.0418194 0.2081378), wk = 0.0034130 k( 51) = ( 0.5414423 0.0193894 0.2081378), wk = 0.0034130 k( 52) = ( 0.5483493 -0.0030405 0.2081378), wk = 0.0034130 k( 53) = ( 0.5552563 -0.0254705 0.2081378), wk = 0.0034130 k( 54) = ( 0.5621634 -0.0479004 0.2081378), wk = 0.0034130 k( 55) = ( 0.5690704 -0.0703304 0.2081378), wk = 0.0034130 k( 56) = ( 0.5759775 -0.0927604 0.2081378), wk = 0.0034130 k( 57) = ( 0.5828845 -0.1151903 0.2081378), wk = 0.0034130 k( 58) = ( 0.5897915 -0.1376203 0.2081378), wk = 0.0034130 k( 59) = ( 0.5966986 -0.1600502 0.2081378), wk = 0.0034130 k( 60) = ( 0.6036056 -0.1824802 0.2081378), wk = 0.0034130 k( 61) = ( 0.6105127 -0.2049101 0.2081378), wk = 0.0034130 k( 62) = ( 0.6174197 -0.2273401 0.2081378), wk = 0.0034130 k( 63) = ( 0.6243268 -0.2497701 0.2081378), wk = 0.0034130 k( 64) = ( 0.6312338 -0.2722000 0.2081378), wk = 0.0034130 k( 65) = ( 0.6381408 -0.2946300 0.2081378), wk = 0.0034130 k( 66) = ( 0.6450479 -0.3170599 0.2081378), wk = 0.0034130 k( 67) = ( 0.6519549 -0.3394899 0.2081378), wk = 0.0034130 k( 68) = ( 0.6588620 -0.3619198 0.2081378), wk = 0.0034130 k( 69) = ( 0.6657690 -0.3843498 0.2081378), wk = 0.0034130 k( 70) = ( 0.6726760 -0.4067797 0.2081378), wk = 0.0034130 k( 71) = ( 0.6795831 -0.4292097 0.2081378), wk = 0.0034130 k( 72) = ( 0.6864901 -0.4516396 0.2081378), wk = 0.0034130 k( 73) = ( 0.6933972 -0.4740696 0.2081378), wk = 0.0034130 k( 74) = ( 0.7003042 -0.4964995 0.2081378), wk = 0.0034130 k( 75) = ( 0.7072112 -0.5189295 0.2081378), wk = 0.0034130 k( 76) = ( 0.7141183 -0.5413594 0.2081378), wk = 0.0034130 k( 77) = ( 0.7210253 -0.5637894 0.2081378), wk = 0.0034130 k( 78) = ( 0.7279324 -0.5862194 0.2081378), wk = 0.0034130 k( 79) = ( 0.7348394 -0.6086493 0.2081378), wk = 0.0034130 k( 80) = ( 0.2651606 -0.8610836 0.3768146), wk = 0.0034130 k( 81) = ( 0.2581827 -0.8384235 0.3768146), wk = 0.0034130 k( 82) = ( 0.2512048 -0.8157634 0.3768146), wk = 0.0034130 k( 83) = ( 0.2442269 -0.7931033 0.3768146), wk = 0.0034130 k( 84) = ( 0.2372489 -0.7704432 0.3768146), wk = 0.0034130 k( 85) = ( 0.2302710 -0.7477831 0.3768146), wk = 0.0034130 k( 86) = ( 0.2232931 -0.7251230 0.3768146), wk = 0.0034130 k( 87) = ( 0.2163152 -0.7024629 0.3768146), wk = 0.0034130 k( 88) = ( 0.2093373 -0.6798028 0.3768146), wk = 0.0034130 k( 89) = ( 0.2023594 -0.6571427 0.3768146), wk = 0.0034130 k( 90) = ( 0.1953815 -0.6344826 0.3768146), wk = 0.0034130 k( 91) = ( 0.1884036 -0.6118226 0.3768146), wk = 0.0034130 k( 92) = ( 0.1814257 -0.5891625 0.3768146), wk = 0.0034130 k( 93) = ( 0.1744478 -0.5665024 0.3768146), wk = 0.0034130 k( 94) = ( 0.1674699 -0.5438423 0.3768146), wk = 0.0034130 k( 95) = ( 0.1604919 -0.5211822 0.3768146), wk = 0.0034130 k( 96) = ( 0.1535140 -0.4985221 0.3768146), wk = 0.0034130 k( 97) = ( 0.1465361 -0.4758620 0.3768146), wk = 0.0034130 k( 98) = ( 0.1395582 -0.4532019 0.3768146), wk = 0.0034130 k( 99) = ( 0.1325803 -0.4305418 0.3768146), wk = 0.0034130 k( 100) = ( 0.1256024 -0.4078817 0.3768146), wk = 0.0034130 k( 101) = ( 0.1186245 -0.3852216 0.3768146), wk = 0.0034130 k( 102) = ( 0.1116466 -0.3625615 0.3768146), wk = 0.0034130 k( 103) = ( 0.1046687 -0.3399014 0.3768146), wk = 0.0034130 k( 104) = ( 0.0976907 -0.3172413 0.3768146), wk = 0.0034130 k( 105) = ( 0.0907128 -0.2945812 0.3768146), wk = 0.0034130 k( 106) = ( 0.0837349 -0.2719211 0.3768146), wk = 0.0034130 k( 107) = ( 0.0767570 -0.2492610 0.3768146), wk = 0.0034130 k( 108) = ( 0.0697791 -0.2266009 0.3768146), wk = 0.0034130 k( 109) = ( 0.0628012 -0.2039408 0.3768146), wk = 0.0034130 k( 110) = ( 0.0558233 -0.1812807 0.3768146), wk = 0.0034130 k( 111) = ( 0.0488454 -0.1586207 0.3768146), wk = 0.0034130 k( 112) = ( 0.0418675 -0.1359606 0.3768146), wk = 0.0034130 k( 113) = ( 0.0348895 -0.1133005 0.3768146), wk = 0.0034130 k( 114) = ( 0.0279116 -0.0906404 0.3768146), wk = 0.0034130 k( 115) = ( 0.0209337 -0.0679803 0.3768146), wk = 0.0034130 k( 116) = ( 0.0139558 -0.0453202 0.3768146), wk = 0.0034130 k( 117) = ( 0.0069779 -0.0226601 0.3768146), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.3768146), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.3768146), wk = 0.0034130 k( 120) = ( 0.0217933 0.0067110 0.3768146), wk = 0.0034130 k( 121) = ( 0.0435866 0.0134220 0.3768146), wk = 0.0034130 k( 122) = ( 0.0653798 0.0201330 0.3768146), wk = 0.0034130 k( 123) = ( 0.0871731 0.0268439 0.3768146), wk = 0.0034130 k( 124) = ( 0.1089664 0.0335549 0.3768146), wk = 0.0034130 k( 125) = ( 0.1307597 0.0402659 0.3768146), wk = 0.0034130 k( 126) = ( 0.1525530 0.0469769 0.3768146), wk = 0.0034130 k( 127) = ( 0.1743462 0.0536879 0.3768146), wk = 0.0034130 k( 128) = ( 0.1961395 0.0603989 0.3768146), wk = 0.0034130 k( 129) = ( 0.2179328 0.0671098 0.3768146), wk = 0.0034130 k( 130) = ( 0.2397261 0.0738208 0.3768146), wk = 0.0034130 k( 131) = ( 0.2615193 0.0805318 0.3768146), wk = 0.0034130 k( 132) = ( 0.2833126 0.0872428 0.3768146), wk = 0.0034130 k( 133) = ( 0.3051059 0.0939538 0.3768146), wk = 0.0034130 k( 134) = ( 0.3268992 0.1006648 0.3768146), wk = 0.0034130 k( 135) = ( 0.3486925 0.1073758 0.3768146), wk = 0.0034130 k( 136) = ( 0.3704858 0.1140867 0.3768146), wk = 0.0034130 k( 137) = ( 0.3922790 0.1207977 0.3768146), wk = 0.0034130 k( 138) = ( 0.4140723 0.1275087 0.3768146), wk = 0.0034130 k( 139) = ( 0.4358656 0.1342197 0.3768146), wk = 0.0034130 k( 140) = ( 0.5000000 0.1539691 -0.1686767), wk = 0.0034130 k( 141) = ( 0.5069947 0.1312546 -0.1686767), wk = 0.0034130 k( 142) = ( 0.5139893 0.1085401 -0.1686767), wk = 0.0034130 k( 143) = ( 0.5209840 0.0858256 -0.1686767), wk = 0.0034130 k( 144) = ( 0.5279786 0.0631112 -0.1686767), wk = 0.0034130 k( 145) = ( 0.5349733 0.0403967 -0.1686767), wk = 0.0034130 k( 146) = ( 0.5419680 0.0176821 -0.1686767), wk = 0.0034130 k( 147) = ( 0.5489626 -0.0050323 -0.1686767), wk = 0.0034130 k( 148) = ( 0.5559573 -0.0277468 -0.1686767), wk = 0.0034130 k( 149) = ( 0.5629520 -0.0504613 -0.1686767), wk = 0.0034130 k( 150) = ( 0.5699466 -0.0731758 -0.1686767), wk = 0.0034130 k( 151) = ( 0.5769413 -0.0958903 -0.1686767), wk = 0.0034130 k( 152) = ( 0.5839359 -0.1186048 -0.1686767), wk = 0.0034130 k( 153) = ( 0.5909306 -0.1413193 -0.1686767), wk = 0.0034130 k( 154) = ( 0.5979253 -0.1640338 -0.1686767), wk = 0.0034130 k( 155) = ( 0.6049199 -0.1867483 -0.1686767), wk = 0.0034130 k( 156) = ( 0.6119146 -0.2094628 -0.1686767), wk = 0.0034130 k( 157) = ( 0.6189093 -0.2321773 -0.1686767), wk = 0.0034130 k( 158) = ( 0.6259039 -0.2548918 -0.1686767), wk = 0.0034130 k( 159) = ( 0.6328986 -0.2776063 -0.1686767), wk = 0.0034130 k( 160) = ( 0.6398933 -0.3003208 -0.1686767), wk = 0.0034130 k( 161) = ( 0.6468879 -0.3230353 -0.1686767), wk = 0.0034130 k( 162) = ( 0.6538826 -0.3457498 -0.1686767), wk = 0.0034130 k( 163) = ( 0.6608772 -0.3684643 -0.1686767), wk = 0.0034130 k( 164) = ( 0.6678719 -0.3911788 -0.1686767), wk = 0.0034130 k( 165) = ( 0.6748666 -0.4138933 -0.1686767), wk = 0.0034130 k( 166) = ( 0.6818612 -0.4366078 -0.1686767), wk = 0.0034130 k( 167) = ( 0.6888559 -0.4593223 -0.1686767), wk = 0.0034130 k( 168) = ( 0.6958506 -0.4820368 -0.1686767), wk = 0.0034130 k( 169) = ( 0.7028452 -0.5047513 -0.1686767), wk = 0.0034130 k( 170) = ( 0.7098399 -0.5274657 -0.1686767), wk = 0.0034130 k( 171) = ( 0.7168345 -0.5501803 -0.1686767), wk = 0.0034130 k( 172) = ( 0.7238292 -0.5728947 -0.1686767), wk = 0.0034130 k( 173) = ( 0.2761708 -0.8968381 0.0000000), wk = 0.0034130 k( 174) = ( 0.2692665 -0.8744172 0.0000000), wk = 0.0034130 k( 175) = ( 0.2623623 -0.8519962 0.0000000), wk = 0.0034130 k( 176) = ( 0.2554580 -0.8295753 0.0000000), wk = 0.0034130 k( 177) = ( 0.2485537 -0.8071543 0.0000000), wk = 0.0034130 k( 178) = ( 0.2416494 -0.7847334 0.0000000), wk = 0.0034130 k( 179) = ( 0.2347452 -0.7623124 0.0000000), wk = 0.0034130 k( 180) = ( 0.2278409 -0.7398915 0.0000000), wk = 0.0034130 k( 181) = ( 0.2209366 -0.7174705 0.0000000), wk = 0.0034130 k( 182) = ( 0.2140324 -0.6950496 0.0000000), wk = 0.0034130 k( 183) = ( 0.2071281 -0.6726286 0.0000000), wk = 0.0034130 k( 184) = ( 0.2002238 -0.6502076 0.0000000), wk = 0.0034130 k( 185) = ( 0.1933196 -0.6277867 0.0000000), wk = 0.0034130 k( 186) = ( 0.1864153 -0.6053657 0.0000000), wk = 0.0034130 k( 187) = ( 0.1795110 -0.5829448 0.0000000), wk = 0.0034130 k( 188) = ( 0.1726067 -0.5605238 0.0000000), wk = 0.0034130 k( 189) = ( 0.1657025 -0.5381029 0.0000000), wk = 0.0034130 k( 190) = ( 0.1587982 -0.5156819 0.0000000), wk = 0.0034130 k( 191) = ( 0.1518939 -0.4932610 0.0000000), wk = 0.0034130 k( 192) = ( 0.1449897 -0.4708400 0.0000000), wk = 0.0034130 k( 193) = ( 0.1380854 -0.4484191 0.0000000), wk = 0.0034130 k( 194) = ( 0.1311811 -0.4259981 0.0000000), wk = 0.0034130 k( 195) = ( 0.1242769 -0.4035772 0.0000000), wk = 0.0034130 k( 196) = ( 0.1173726 -0.3811562 0.0000000), wk = 0.0034130 k( 197) = ( 0.1104683 -0.3587353 0.0000000), wk = 0.0034130 k( 198) = ( 0.1035641 -0.3363143 0.0000000), wk = 0.0034130 k( 199) = ( 0.0966598 -0.3138934 0.0000000), wk = 0.0034130 k( 200) = ( 0.0897555 -0.2914724 0.0000000), wk = 0.0034130 k( 201) = ( 0.0828512 -0.2690515 0.0000000), wk = 0.0034130 k( 202) = ( 0.0759470 -0.2466305 0.0000000), wk = 0.0034130 k( 203) = ( 0.0690427 -0.2242095 0.0000000), wk = 0.0034130 k( 204) = ( 0.0621384 -0.2017886 0.0000000), wk = 0.0034130 k( 205) = ( 0.0552342 -0.1793676 0.0000000), wk = 0.0034130 k( 206) = ( 0.0483299 -0.1569467 0.0000000), wk = 0.0034130 k( 207) = ( 0.0414256 -0.1345257 0.0000000), wk = 0.0034130 k( 208) = ( 0.0345213 -0.1121048 0.0000000), wk = 0.0034130 k( 209) = ( 0.0276171 -0.0896838 0.0000000), wk = 0.0034130 k( 210) = ( 0.0207128 -0.0672629 0.0000000), wk = 0.0034130 k( 211) = ( 0.0138085 -0.0448419 0.0000000), wk = 0.0034130 k( 212) = ( 0.0069043 -0.0224210 0.0000000), wk = 0.0034130 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 215) = ( 0.0131579 -0.0193386 -0.0022194), wk = 0.0034130 k( 216) = ( 0.0263158 -0.0386772 -0.0044389), wk = 0.0034130 k( 217) = ( 0.0394737 -0.0580158 -0.0066583), wk = 0.0034130 k( 218) = ( 0.0526316 -0.0773544 -0.0088777), wk = 0.0034130 k( 219) = ( 0.0657895 -0.0966929 -0.0110972), wk = 0.0034130 k( 220) = ( 0.0789474 -0.1160315 -0.0133166), wk = 0.0034130 k( 221) = ( 0.0921053 -0.1353701 -0.0155360), wk = 0.0034130 k( 222) = ( 0.1052632 -0.1547087 -0.0177554), wk = 0.0034130 k( 223) = ( 0.1184210 -0.1740473 -0.0199749), wk = 0.0034130 k( 224) = ( 0.1315790 -0.1933859 -0.0221943), wk = 0.0034130 k( 225) = ( 0.1447368 -0.2127245 -0.0244137), wk = 0.0034130 k( 226) = ( 0.1578947 -0.2320631 -0.0266332), wk = 0.0034130 k( 227) = ( 0.1710526 -0.2514017 -0.0288526), wk = 0.0034130 k( 228) = ( 0.1842105 -0.2707403 -0.0310720), wk = 0.0034130 k( 229) = ( 0.1973684 -0.2900789 -0.0332915), wk = 0.0034130 k( 230) = ( 0.2105263 -0.3094175 -0.0355109), wk = 0.0034130 k( 231) = ( 0.2236842 -0.3287560 -0.0377303), wk = 0.0034130 k( 232) = ( 0.2368421 -0.3480946 -0.0399498), wk = 0.0034130 k( 233) = ( 0.2500000 -0.3674332 -0.0421692), wk = 0.0034130 k( 234) = ( 0.2631579 -0.3867718 -0.0443886), wk = 0.0034130 k( 235) = ( 0.2763158 -0.4061104 -0.0466080), wk = 0.0034130 k( 236) = ( 0.2894737 -0.4254490 -0.0488275), wk = 0.0034130 k( 237) = ( 0.3026316 -0.4447876 -0.0510469), wk = 0.0034130 k( 238) = ( 0.3157895 -0.4641262 -0.0532663), wk = 0.0034130 k( 239) = ( 0.3289474 -0.4834648 -0.0554858), wk = 0.0034130 k( 240) = ( 0.3421053 -0.5028034 -0.0577052), wk = 0.0034130 k( 241) = ( 0.3552632 -0.5221420 -0.0599246), wk = 0.0034130 k( 242) = ( 0.3684211 -0.5414805 -0.0621441), wk = 0.0034130 k( 243) = ( 0.3815789 -0.5608191 -0.0643635), wk = 0.0034130 k( 244) = ( 0.3947368 -0.5801577 -0.0665829), wk = 0.0034130 k( 245) = ( 0.4078947 -0.5994963 -0.0688024), wk = 0.0034130 k( 246) = ( 0.4210526 -0.6188349 -0.0710218), wk = 0.0034130 k( 247) = ( 0.4342105 -0.6381735 -0.0732412), wk = 0.0034130 k( 248) = ( 0.4473684 -0.6575121 -0.0754606), wk = 0.0034130 k( 249) = ( 0.4605263 -0.6768507 -0.0776801), wk = 0.0034130 k( 250) = ( 0.4736842 -0.6961893 -0.0798995), wk = 0.0034130 k( 251) = ( 0.4868421 -0.7155279 -0.0821189), wk = 0.0034130 k( 252) = ( 0.5000000 -0.7348664 -0.0843384), wk = 0.0034130 k( 253) = ( 0.5000000 -0.7348664 0.2924762), wk = 0.0034130 k( 254) = ( 0.4875000 -0.7164948 0.2851643), wk = 0.0034130 k( 255) = ( 0.4750000 -0.6981231 0.2778524), wk = 0.0034130 k( 256) = ( 0.4625000 -0.6797515 0.2705405), wk = 0.0034130 k( 257) = ( 0.4500000 -0.6613798 0.2632286), wk = 0.0034130 k( 258) = ( 0.4375000 -0.6430081 0.2559167), wk = 0.0034130 k( 259) = ( 0.4250000 -0.6246365 0.2486048), wk = 0.0034130 k( 260) = ( 0.4125000 -0.6062648 0.2412929), wk = 0.0034130 k( 261) = ( 0.4000000 -0.5878932 0.2339810), wk = 0.0034130 k( 262) = ( 0.3875000 -0.5695215 0.2266690), wk = 0.0034130 k( 263) = ( 0.3750000 -0.5511498 0.2193571), wk = 0.0034130 k( 264) = ( 0.3625000 -0.5327782 0.2120452), wk = 0.0034130 k( 265) = ( 0.3500000 -0.5144065 0.2047333), wk = 0.0034130 k( 266) = ( 0.3375000 -0.4960349 0.1974214), wk = 0.0034130 k( 267) = ( 0.3250000 -0.4776632 0.1901095), wk = 0.0034130 k( 268) = ( 0.3125000 -0.4592915 0.1827976), wk = 0.0034130 k( 269) = ( 0.3000000 -0.4409199 0.1754857), wk = 0.0034130 k( 270) = ( 0.2875000 -0.4225482 0.1681738), wk = 0.0034130 k( 271) = ( 0.2750000 -0.4041765 0.1608619), wk = 0.0034130 k( 272) = ( 0.2625000 -0.3858049 0.1535500), wk = 0.0034130 k( 273) = ( 0.2500000 -0.3674332 0.1462381), wk = 0.0034130 k( 274) = ( 0.2375000 -0.3490616 0.1389262), wk = 0.0034130 k( 275) = ( 0.2250000 -0.3306899 0.1316143), wk = 0.0034130 k( 276) = ( 0.2125000 -0.3123182 0.1243024), wk = 0.0034130 k( 277) = ( 0.2000000 -0.2939466 0.1169905), wk = 0.0034130 k( 278) = ( 0.1875000 -0.2755749 0.1096786), wk = 0.0034130 k( 279) = ( 0.1750000 -0.2572033 0.1023667), wk = 0.0034130 k( 280) = ( 0.1625000 -0.2388316 0.0950548), wk = 0.0034130 k( 281) = ( 0.1500000 -0.2204599 0.0877429), wk = 0.0034130 k( 282) = ( 0.1375000 -0.2020883 0.0804310), wk = 0.0034130 k( 283) = ( 0.1250000 -0.1837166 0.0731190), wk = 0.0034130 k( 284) = ( 0.1125000 -0.1653450 0.0658071), wk = 0.0034130 k( 285) = ( 0.1000000 -0.1469733 0.0584952), wk = 0.0034130 k( 286) = ( 0.0875000 -0.1286016 0.0511833), wk = 0.0034130 k( 287) = ( 0.0750000 -0.1102300 0.0438714), wk = 0.0034130 k( 288) = ( 0.0625000 -0.0918583 0.0365595), wk = 0.0034130 k( 289) = ( 0.0500000 -0.0734866 0.0292476), wk = 0.0034130 k( 290) = ( 0.0375000 -0.0551150 0.0219357), wk = 0.0034130 k( 291) = ( 0.0250000 -0.0367433 0.0146238), wk = 0.0034130 k( 292) = ( 0.0125000 -0.0183717 0.0073119), wk = 0.0034130 k( 293) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 2) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0034130 k( 3) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0034130 k( 4) = ( 0.0652174 0.0652174 -0.0000000), wk = 0.0034130 k( 5) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0034130 k( 6) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0034130 k( 7) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0034130 k( 8) = ( 0.1521739 0.1521739 -0.0000000), wk = 0.0034130 k( 9) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0034130 k( 10) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0034130 k( 11) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0034130 k( 12) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0034130 k( 13) = ( 0.2608696 0.2608696 -0.0000000), wk = 0.0034130 k( 14) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0034130 k( 15) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0034130 k( 16) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0034130 k( 17) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0034130 k( 18) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0034130 k( 19) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0034130 k( 20) = ( 0.4130435 0.4130435 -0.0000000), wk = 0.0034130 k( 21) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0034130 k( 22) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0034130 k( 23) = ( 0.4782609 0.4782609 -0.0000000), wk = 0.0034130 k( 24) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 25) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 26) = ( 0.5064134 0.5064134 0.0304890), wk = 0.0034130 k( 27) = ( 0.5128269 0.5128269 0.0609780), wk = 0.0034130 k( 28) = ( 0.5192403 0.5192403 0.0914669), wk = 0.0034130 k( 29) = ( 0.5256538 0.5256538 0.1219559), wk = 0.0034130 k( 30) = ( 0.5320672 0.5320672 0.1524449), wk = 0.0034130 k( 31) = ( 0.5384807 0.5384806 0.1829338), wk = 0.0034130 k( 32) = ( 0.5448941 0.5448941 0.2134228), wk = 0.0034130 k( 33) = ( 0.5513075 0.5513075 0.2439118), wk = 0.0034130 k( 34) = ( 0.5577210 0.5577210 0.2744008), wk = 0.0034130 k( 35) = ( 0.5641344 0.5641344 0.3048897), wk = 0.0034130 k( 36) = ( 0.5641344 0.5641344 0.3048897), wk = 0.0034130 k( 37) = ( 0.5561176 0.5561176 0.3292785), wk = 0.0034130 k( 38) = ( 0.5481008 0.5481008 0.3536673), wk = 0.0034130 k( 39) = ( 0.5400840 0.5400840 0.3780561), wk = 0.0034130 k( 40) = ( 0.5320672 0.5320672 0.4024449), wk = 0.0034130 k( 41) = ( 0.5240504 0.5240504 0.4268336), wk = 0.0034130 k( 42) = ( 0.5160336 0.5160336 0.4512224), wk = 0.0034130 k( 43) = ( 0.5080168 0.5080168 0.4756112), wk = 0.0034130 k( 44) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 45) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034130 k( 46) = ( 0.5069070 0.4930930 0.5000000), wk = 0.0034130 k( 47) = ( 0.5138141 0.4861859 0.5000000), wk = 0.0034130 k( 48) = ( 0.5207211 0.4792789 0.5000000), wk = 0.0034130 k( 49) = ( 0.5276282 0.4723718 0.5000000), wk = 0.0034130 k( 50) = ( 0.5345352 0.4654648 0.5000000), wk = 0.0034130 k( 51) = ( 0.5414423 0.4585577 0.5000000), wk = 0.0034130 k( 52) = ( 0.5483493 0.4516507 0.5000000), wk = 0.0034130 k( 53) = ( 0.5552563 0.4447437 0.5000000), wk = 0.0034130 k( 54) = ( 0.5621634 0.4378366 0.5000000), wk = 0.0034130 k( 55) = ( 0.5690704 0.4309296 0.5000000), wk = 0.0034130 k( 56) = ( 0.5759775 0.4240225 0.5000000), wk = 0.0034130 k( 57) = ( 0.5828845 0.4171155 0.5000000), wk = 0.0034130 k( 58) = ( 0.5897915 0.4102085 0.5000000), wk = 0.0034130 k( 59) = ( 0.5966986 0.4033014 0.5000000), wk = 0.0034130 k( 60) = ( 0.6036056 0.3963944 0.5000000), wk = 0.0034130 k( 61) = ( 0.6105127 0.3894873 0.5000000), wk = 0.0034130 k( 62) = ( 0.6174197 0.3825803 0.5000000), wk = 0.0034130 k( 63) = ( 0.6243268 0.3756732 0.5000000), wk = 0.0034130 k( 64) = ( 0.6312338 0.3687662 0.5000000), wk = 0.0034130 k( 65) = ( 0.6381408 0.3618592 0.5000000), wk = 0.0034130 k( 66) = ( 0.6450479 0.3549521 0.5000000), wk = 0.0034130 k( 67) = ( 0.6519549 0.3480451 0.5000000), wk = 0.0034130 k( 68) = ( 0.6588620 0.3411380 0.5000000), wk = 0.0034130 k( 69) = ( 0.6657690 0.3342310 0.5000000), wk = 0.0034130 k( 70) = ( 0.6726760 0.3273240 0.5000000), wk = 0.0034130 k( 71) = ( 0.6795831 0.3204169 0.5000000), wk = 0.0034130 k( 72) = ( 0.6864901 0.3135099 0.5000000), wk = 0.0034130 k( 73) = ( 0.6933972 0.3066028 0.5000000), wk = 0.0034130 k( 74) = ( 0.7003042 0.2996958 0.5000000), wk = 0.0034130 k( 75) = ( 0.7072112 0.2927888 0.5000000), wk = 0.0034130 k( 76) = ( 0.7141183 0.2858817 0.5000000), wk = 0.0034130 k( 77) = ( 0.7210253 0.2789747 0.5000000), wk = 0.0034130 k( 78) = ( 0.7279324 0.2720676 0.5000000), wk = 0.0034130 k( 79) = ( 0.7348394 0.2651606 0.5000000), wk = 0.0034130 k( 80) = ( 0.2651606 -0.2651606 0.5000000), wk = 0.0034130 k( 81) = ( 0.2581827 -0.2581827 0.5000000), wk = 0.0034130 k( 82) = ( 0.2512048 -0.2512048 0.5000000), wk = 0.0034130 k( 83) = ( 0.2442269 -0.2442269 0.5000000), wk = 0.0034130 k( 84) = ( 0.2372489 -0.2372490 0.5000000), wk = 0.0034130 k( 85) = ( 0.2302710 -0.2302710 0.5000000), wk = 0.0034130 k( 86) = ( 0.2232931 -0.2232931 0.5000000), wk = 0.0034130 k( 87) = ( 0.2163152 -0.2163152 0.5000000), wk = 0.0034130 k( 88) = ( 0.2093373 -0.2093373 0.5000000), wk = 0.0034130 k( 89) = ( 0.2023594 -0.2023594 0.5000000), wk = 0.0034130 k( 90) = ( 0.1953815 -0.1953815 0.5000000), wk = 0.0034130 k( 91) = ( 0.1884036 -0.1884036 0.5000000), wk = 0.0034130 k( 92) = ( 0.1814257 -0.1814257 0.5000000), wk = 0.0034130 k( 93) = ( 0.1744478 -0.1744478 0.5000000), wk = 0.0034130 k( 94) = ( 0.1674699 -0.1674699 0.5000000), wk = 0.0034130 k( 95) = ( 0.1604919 -0.1604919 0.5000000), wk = 0.0034130 k( 96) = ( 0.1535140 -0.1535140 0.5000000), wk = 0.0034130 k( 97) = ( 0.1465361 -0.1465361 0.5000000), wk = 0.0034130 k( 98) = ( 0.1395582 -0.1395582 0.5000000), wk = 0.0034130 k( 99) = ( 0.1325803 -0.1325803 0.5000000), wk = 0.0034130 k( 100) = ( 0.1256024 -0.1256024 0.5000000), wk = 0.0034130 k( 101) = ( 0.1186245 -0.1186245 0.5000000), wk = 0.0034130 k( 102) = ( 0.1116466 -0.1116466 0.5000000), wk = 0.0034130 k( 103) = ( 0.1046687 -0.1046687 0.5000000), wk = 0.0034130 k( 104) = ( 0.0976907 -0.0976907 0.5000000), wk = 0.0034130 k( 105) = ( 0.0907128 -0.0907128 0.5000000), wk = 0.0034130 k( 106) = ( 0.0837349 -0.0837349 0.5000000), wk = 0.0034130 k( 107) = ( 0.0767570 -0.0767570 0.5000000), wk = 0.0034130 k( 108) = ( 0.0697791 -0.0697791 0.5000000), wk = 0.0034130 k( 109) = ( 0.0628012 -0.0628012 0.5000000), wk = 0.0034130 k( 110) = ( 0.0558233 -0.0558233 0.5000000), wk = 0.0034130 k( 111) = ( 0.0488454 -0.0488454 0.5000000), wk = 0.0034130 k( 112) = ( 0.0418675 -0.0418675 0.5000000), wk = 0.0034130 k( 113) = ( 0.0348895 -0.0348896 0.5000000), wk = 0.0034130 k( 114) = ( 0.0279116 -0.0279116 0.5000000), wk = 0.0034130 k( 115) = ( 0.0209337 -0.0209337 0.5000000), wk = 0.0034130 k( 116) = ( 0.0139558 -0.0139558 0.5000000), wk = 0.0034130 k( 117) = ( 0.0069779 -0.0069779 0.5000000), wk = 0.0034130 k( 118) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 119) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034130 k( 120) = ( 0.0217933 0.0217933 0.5097555), wk = 0.0034130 k( 121) = ( 0.0435866 0.0435866 0.5195110), wk = 0.0034130 k( 122) = ( 0.0653798 0.0653798 0.5292665), wk = 0.0034130 k( 123) = ( 0.0871731 0.0871731 0.5390221), wk = 0.0034130 k( 124) = ( 0.1089664 0.1089664 0.5487776), wk = 0.0034130 k( 125) = ( 0.1307597 0.1307597 0.5585331), wk = 0.0034130 k( 126) = ( 0.1525530 0.1525530 0.5682886), wk = 0.0034130 k( 127) = ( 0.1743462 0.1743462 0.5780441), wk = 0.0034130 k( 128) = ( 0.1961395 0.1961395 0.5877996), wk = 0.0034130 k( 129) = ( 0.2179328 0.2179328 0.5975551), wk = 0.0034130 k( 130) = ( 0.2397261 0.2397261 0.6073106), wk = 0.0034130 k( 131) = ( 0.2615193 0.2615193 0.6170661), wk = 0.0034130 k( 132) = ( 0.2833126 0.2833126 0.6268217), wk = 0.0034130 k( 133) = ( 0.3051059 0.3051059 0.6365772), wk = 0.0034130 k( 134) = ( 0.3268992 0.3268992 0.6463327), wk = 0.0034130 k( 135) = ( 0.3486925 0.3486925 0.6560882), wk = 0.0034130 k( 136) = ( 0.3704858 0.3704857 0.6658437), wk = 0.0034130 k( 137) = ( 0.3922790 0.3922790 0.6755992), wk = 0.0034130 k( 138) = ( 0.4140723 0.4140723 0.6853547), wk = 0.0034130 k( 139) = ( 0.4358656 0.4358656 0.6951103), wk = 0.0034130 k( 140) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034130 k( 141) = ( 0.5069947 0.4930053 0.0000000), wk = 0.0034130 k( 142) = ( 0.5139893 0.4860107 -0.0000000), wk = 0.0034130 k( 143) = ( 0.5209840 0.4790160 -0.0000000), wk = 0.0034130 k( 144) = ( 0.5279786 0.4720213 -0.0000000), wk = 0.0034130 k( 145) = ( 0.5349733 0.4650267 -0.0000000), wk = 0.0034130 k( 146) = ( 0.5419680 0.4580320 -0.0000000), wk = 0.0034130 k( 147) = ( 0.5489626 0.4510374 0.0000000), wk = 0.0034130 k( 148) = ( 0.5559573 0.4440427 -0.0000000), wk = 0.0034130 k( 149) = ( 0.5629520 0.4370480 -0.0000000), wk = 0.0034130 k( 150) = ( 0.5699466 0.4300534 -0.0000000), wk = 0.0034130 k( 151) = ( 0.5769413 0.4230587 -0.0000000), wk = 0.0034130 k( 152) = ( 0.5839359 0.4160640 0.0000000), wk = 0.0034130 k( 153) = ( 0.5909306 0.4090694 -0.0000000), wk = 0.0034130 k( 154) = ( 0.5979253 0.4020747 -0.0000000), wk = 0.0034130 k( 155) = ( 0.6049199 0.3950801 -0.0000000), wk = 0.0034130 k( 156) = ( 0.6119146 0.3880854 -0.0000000), wk = 0.0034130 k( 157) = ( 0.6189093 0.3810907 0.0000000), wk = 0.0034130 k( 158) = ( 0.6259039 0.3740961 -0.0000000), wk = 0.0034130 k( 159) = ( 0.6328986 0.3671014 0.0000000), wk = 0.0034130 k( 160) = ( 0.6398933 0.3601067 -0.0000000), wk = 0.0034130 k( 161) = ( 0.6468879 0.3531121 -0.0000000), wk = 0.0034130 k( 162) = ( 0.6538826 0.3461174 -0.0000000), wk = 0.0034130 k( 163) = ( 0.6608772 0.3391228 -0.0000000), wk = 0.0034130 k( 164) = ( 0.6678719 0.3321281 -0.0000000), wk = 0.0034130 k( 165) = ( 0.6748666 0.3251334 0.0000000), wk = 0.0034130 k( 166) = ( 0.6818612 0.3181388 0.0000000), wk = 0.0034130 k( 167) = ( 0.6888559 0.3111441 -0.0000000), wk = 0.0034130 k( 168) = ( 0.6958506 0.3041494 0.0000000), wk = 0.0034130 k( 169) = ( 0.7028452 0.2971548 -0.0000000), wk = 0.0034130 k( 170) = ( 0.7098399 0.2901601 0.0000000), wk = 0.0034130 k( 171) = ( 0.7168345 0.2831654 -0.0000000), wk = 0.0034130 k( 172) = ( 0.7238292 0.2761708 -0.0000000), wk = 0.0034130 k( 173) = ( 0.2761708 -0.2761708 -0.0000000), wk = 0.0034130 k( 174) = ( 0.2692665 -0.2692665 -0.0000000), wk = 0.0034130 k( 175) = ( 0.2623623 -0.2623623 -0.0000000), wk = 0.0034130 k( 176) = ( 0.2554580 -0.2554580 -0.0000000), wk = 0.0034130 k( 177) = ( 0.2485537 -0.2485537 -0.0000000), wk = 0.0034130 k( 178) = ( 0.2416494 -0.2416494 -0.0000000), wk = 0.0034130 k( 179) = ( 0.2347452 -0.2347452 -0.0000000), wk = 0.0034130 k( 180) = ( 0.2278409 -0.2278409 -0.0000000), wk = 0.0034130 k( 181) = ( 0.2209366 -0.2209366 -0.0000000), wk = 0.0034130 k( 182) = ( 0.2140324 -0.2140324 -0.0000000), wk = 0.0034130 k( 183) = ( 0.2071281 -0.2071281 -0.0000000), wk = 0.0034130 k( 184) = ( 0.2002238 -0.2002238 -0.0000000), wk = 0.0034130 k( 185) = ( 0.1933196 -0.1933196 -0.0000000), wk = 0.0034130 k( 186) = ( 0.1864153 -0.1864153 -0.0000000), wk = 0.0034130 k( 187) = ( 0.1795110 -0.1795110 0.0000000), wk = 0.0034130 k( 188) = ( 0.1726067 -0.1726067 -0.0000000), wk = 0.0034130 k( 189) = ( 0.1657025 -0.1657025 -0.0000000), wk = 0.0034130 k( 190) = ( 0.1587982 -0.1587982 -0.0000000), wk = 0.0034130 k( 191) = ( 0.1518939 -0.1518939 -0.0000000), wk = 0.0034130 k( 192) = ( 0.1449897 -0.1449897 -0.0000000), wk = 0.0034130 k( 193) = ( 0.1380854 -0.1380854 -0.0000000), wk = 0.0034130 k( 194) = ( 0.1311811 -0.1311811 -0.0000000), wk = 0.0034130 k( 195) = ( 0.1242769 -0.1242769 -0.0000000), wk = 0.0034130 k( 196) = ( 0.1173726 -0.1173726 -0.0000000), wk = 0.0034130 k( 197) = ( 0.1104683 -0.1104683 -0.0000000), wk = 0.0034130 k( 198) = ( 0.1035641 -0.1035641 -0.0000000), wk = 0.0034130 k( 199) = ( 0.0966598 -0.0966598 -0.0000000), wk = 0.0034130 k( 200) = ( 0.0897555 -0.0897555 -0.0000000), wk = 0.0034130 k( 201) = ( 0.0828512 -0.0828512 0.0000000), wk = 0.0034130 k( 202) = ( 0.0759470 -0.0759470 -0.0000000), wk = 0.0034130 k( 203) = ( 0.0690427 -0.0690427 -0.0000000), wk = 0.0034130 k( 204) = ( 0.0621384 -0.0621384 -0.0000000), wk = 0.0034130 k( 205) = ( 0.0552342 -0.0552342 -0.0000000), wk = 0.0034130 k( 206) = ( 0.0483299 -0.0483299 -0.0000000), wk = 0.0034130 k( 207) = ( 0.0414256 -0.0414256 0.0000000), wk = 0.0034130 k( 208) = ( 0.0345213 -0.0345214 -0.0000000), wk = 0.0034130 k( 209) = ( 0.0276171 -0.0276171 -0.0000000), wk = 0.0034130 k( 210) = ( 0.0207128 -0.0207128 0.0000000), wk = 0.0034130 k( 211) = ( 0.0138085 -0.0138085 -0.0000000), wk = 0.0034130 k( 212) = ( 0.0069043 -0.0069043 -0.0000000), wk = 0.0034130 k( 213) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 214) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 k( 215) = ( 0.0131579 -0.0000000 -0.0000000), wk = 0.0034130 k( 216) = ( 0.0263158 0.0000000 0.0000000), wk = 0.0034130 k( 217) = ( 0.0394737 -0.0000000 0.0000000), wk = 0.0034130 k( 218) = ( 0.0526316 0.0000000 0.0000000), wk = 0.0034130 k( 219) = ( 0.0657895 -0.0000000 -0.0000000), wk = 0.0034130 k( 220) = ( 0.0789474 0.0000000 -0.0000000), wk = 0.0034130 k( 221) = ( 0.0921053 0.0000000 0.0000000), wk = 0.0034130 k( 222) = ( 0.1052632 0.0000000 0.0000000), wk = 0.0034130 k( 223) = ( 0.1184210 0.0000000 -0.0000000), wk = 0.0034130 k( 224) = ( 0.1315790 -0.0000000 0.0000000), wk = 0.0034130 k( 225) = ( 0.1447368 -0.0000000 -0.0000000), wk = 0.0034130 k( 226) = ( 0.1578947 0.0000000 -0.0000000), wk = 0.0034130 k( 227) = ( 0.1710526 -0.0000000 -0.0000000), wk = 0.0034130 k( 228) = ( 0.1842105 -0.0000000 -0.0000000), wk = 0.0034130 k( 229) = ( 0.1973684 -0.0000000 -0.0000000), wk = 0.0034130 k( 230) = ( 0.2105263 0.0000000 0.0000000), wk = 0.0034130 k( 231) = ( 0.2236842 -0.0000000 -0.0000000), wk = 0.0034130 k( 232) = ( 0.2368421 -0.0000000 -0.0000000), wk = 0.0034130 k( 233) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0034130 k( 234) = ( 0.2631579 -0.0000000 0.0000000), wk = 0.0034130 k( 235) = ( 0.2763158 -0.0000000 -0.0000000), wk = 0.0034130 k( 236) = ( 0.2894737 -0.0000000 -0.0000000), wk = 0.0034130 k( 237) = ( 0.3026316 -0.0000000 -0.0000000), wk = 0.0034130 k( 238) = ( 0.3157895 -0.0000000 -0.0000000), wk = 0.0034130 k( 239) = ( 0.3289474 0.0000000 -0.0000000), wk = 0.0034130 k( 240) = ( 0.3421053 -0.0000000 -0.0000000), wk = 0.0034130 k( 241) = ( 0.3552632 0.0000000 -0.0000000), wk = 0.0034130 k( 242) = ( 0.3684211 0.0000000 0.0000000), wk = 0.0034130 k( 243) = ( 0.3815789 -0.0000000 -0.0000000), wk = 0.0034130 k( 244) = ( 0.3947368 -0.0000000 -0.0000000), wk = 0.0034130 k( 245) = ( 0.4078947 -0.0000000 0.0000000), wk = 0.0034130 k( 246) = ( 0.4210526 -0.0000000 0.0000000), wk = 0.0034130 k( 247) = ( 0.4342105 0.0000000 -0.0000000), wk = 0.0034130 k( 248) = ( 0.4473684 -0.0000000 -0.0000000), wk = 0.0034130 k( 249) = ( 0.4605263 0.0000000 -0.0000000), wk = 0.0034130 k( 250) = ( 0.4736842 0.0000000 -0.0000000), wk = 0.0034130 k( 251) = ( 0.4868421 -0.0000000 -0.0000000), wk = 0.0034130 k( 252) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034130 k( 253) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0034130 k( 254) = ( 0.4875000 -0.0000000 0.4875000), wk = 0.0034130 k( 255) = ( 0.4750000 -0.0000000 0.4750000), wk = 0.0034130 k( 256) = ( 0.4625000 -0.0000000 0.4625000), wk = 0.0034130 k( 257) = ( 0.4500000 -0.0000000 0.4500000), wk = 0.0034130 k( 258) = ( 0.4375000 -0.0000000 0.4375000), wk = 0.0034130 k( 259) = ( 0.4250000 0.0000000 0.4250000), wk = 0.0034130 k( 260) = ( 0.4125000 0.0000000 0.4125000), wk = 0.0034130 k( 261) = ( 0.4000000 -0.0000000 0.4000000), wk = 0.0034130 k( 262) = ( 0.3875000 0.0000000 0.3875000), wk = 0.0034130 k( 263) = ( 0.3750000 -0.0000000 0.3750000), wk = 0.0034130 k( 264) = ( 0.3625000 0.0000000 0.3625000), wk = 0.0034130 k( 265) = ( 0.3500000 -0.0000000 0.3500000), wk = 0.0034130 k( 266) = ( 0.3375000 -0.0000000 0.3375000), wk = 0.0034130 k( 267) = ( 0.3250000 -0.0000000 0.3250000), wk = 0.0034130 k( 268) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0034130 k( 269) = ( 0.3000000 -0.0000000 0.3000000), wk = 0.0034130 k( 270) = ( 0.2875000 0.0000000 0.2875000), wk = 0.0034130 k( 271) = ( 0.2750000 -0.0000000 0.2750000), wk = 0.0034130 k( 272) = ( 0.2625000 -0.0000000 0.2625000), wk = 0.0034130 k( 273) = ( 0.2500000 -0.0000000 0.2500000), wk = 0.0034130 k( 274) = ( 0.2375000 -0.0000000 0.2375000), wk = 0.0034130 k( 275) = ( 0.2250000 -0.0000000 0.2250000), wk = 0.0034130 k( 276) = ( 0.2125000 0.0000000 0.2125000), wk = 0.0034130 k( 277) = ( 0.2000000 -0.0000000 0.2000000), wk = 0.0034130 k( 278) = ( 0.1875000 -0.0000000 0.1875000), wk = 0.0034130 k( 279) = ( 0.1750000 -0.0000000 0.1750000), wk = 0.0034130 k( 280) = ( 0.1625000 -0.0000000 0.1625000), wk = 0.0034130 k( 281) = ( 0.1500000 -0.0000000 0.1500000), wk = 0.0034130 k( 282) = ( 0.1375000 -0.0000000 0.1375000), wk = 0.0034130 k( 283) = ( 0.1250000 -0.0000000 0.1250000), wk = 0.0034130 k( 284) = ( 0.1125000 -0.0000000 0.1125000), wk = 0.0034130 k( 285) = ( 0.1000000 -0.0000000 0.1000000), wk = 0.0034130 k( 286) = ( 0.0875000 -0.0000000 0.0875000), wk = 0.0034130 k( 287) = ( 0.0750000 -0.0000000 0.0750000), wk = 0.0034130 k( 288) = ( 0.0625000 -0.0000000 0.0625000), wk = 0.0034130 k( 289) = ( 0.0500000 -0.0000000 0.0500000), wk = 0.0034130 k( 290) = ( 0.0375000 -0.0000000 0.0375000), wk = 0.0034130 k( 291) = ( 0.0250000 -0.0000000 0.0250000), wk = 0.0034130 k( 292) = ( 0.0125000 -0.0000000 0.0125000), wk = 0.0034130 k( 293) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034130 Dense grid: 115207 G-vectors FFT dimensions: ( 72, 72, 96) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.82 Mb ( 930, 58) NL pseudopotentials 0.91 Mb ( 465, 128) Each V/rho on FFT grid 0.24 Mb ( 15552) Each G-vector array 0.03 Mb ( 3602) G-vector shells 0.03 Mb ( 3521) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.29 Mb ( 930, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.23 Mb ( 128, 2, 58) The potential is recalculated from file : ./BiI.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 3.2 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 7.4 secs Computing kpt #: 4 total cpu time spent up to now is 9.5 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 13.7 secs Computing kpt #: 7 total cpu time spent up to now is 15.8 secs Computing kpt #: 8 total cpu time spent up to now is 17.9 secs Computing kpt #: 9 total cpu time spent up to now is 20.0 secs Computing kpt #: 10 total cpu time spent up to now is 22.1 secs Computing kpt #: 11 total cpu time spent up to now is 23.9 secs Computing kpt #: 12 total cpu time spent up to now is 25.8 secs Computing kpt #: 13 total cpu time spent up to now is 27.8 secs Computing kpt #: 14 total cpu time spent up to now is 29.7 secs Computing kpt #: 15 total cpu time spent up to now is 31.5 secs Computing kpt #: 16 total cpu time spent up to now is 33.4 secs Computing kpt #: 17 total cpu time spent up to now is 35.2 secs Computing kpt #: 18 total cpu time spent up to now is 37.1 secs Computing kpt #: 19 total cpu time spent up to now is 38.9 secs Computing kpt #: 20 total cpu time spent up to now is 40.8 secs Computing kpt #: 21 total cpu time spent up to now is 42.9 secs Computing kpt #: 22 total cpu time spent up to now is 45.0 secs Computing kpt #: 23 total cpu time spent up to now is 47.0 secs Computing kpt #: 24 total cpu time spent up to now is 49.1 secs Computing kpt #: 25 total cpu time spent up to now is 51.2 secs Computing kpt #: 26 total cpu time spent up to now is 53.2 secs Computing kpt #: 27 total cpu time spent up to now is 55.1 secs Computing kpt #: 28 total cpu time spent up to now is 56.9 secs Computing kpt #: 29 total cpu time spent up to now is 58.8 secs Computing kpt #: 30 total cpu time spent up to now is 60.6 secs Computing kpt #: 31 total cpu time spent up to now is 62.5 secs Computing kpt #: 32 total cpu time spent up to now is 64.3 secs Computing kpt #: 33 total cpu time spent up to now is 66.2 secs Computing kpt #: 34 total cpu time spent up to now is 68.3 secs Computing kpt #: 35 total cpu time spent up to now is 70.1 secs Computing kpt #: 36 total cpu time spent up to now is 72.2 secs Computing kpt #: 37 total cpu time spent up to now is 74.3 secs Computing kpt #: 38 total cpu time spent up to now is 76.4 secs Computing kpt #: 39 total cpu time spent up to now is 78.4 secs Computing kpt #: 40 total cpu time spent up to now is 80.5 secs Computing kpt #: 41 total cpu time spent up to now is 82.6 secs Computing kpt #: 42 total cpu time spent up to now is 84.7 secs Computing kpt #: 43 total cpu time spent up to now is 86.8 secs Computing kpt #: 44 total cpu time spent up to now is 88.9 secs Computing kpt #: 45 total cpu time spent up to now is 91.0 secs Computing kpt #: 46 total cpu time spent up to now is 93.1 secs Computing kpt #: 47 total cpu time spent up to now is 95.1 secs Computing kpt #: 48 total cpu time spent up to now is 97.2 secs Computing kpt #: 49 total cpu time spent up to now is 99.3 secs Computing kpt #: 50 total cpu time spent up to now is 101.5 secs Computing kpt #: 51 total cpu time spent up to now is 103.6 secs Computing kpt #: 52 total cpu time spent up to now is 105.6 secs Computing kpt #: 53 total cpu time spent up to now is 107.7 secs Computing kpt #: 54 total cpu time spent up to now is 109.8 secs Computing kpt #: 55 total cpu time spent up to now is 111.9 secs Computing kpt #: 56 total cpu time spent up to now is 114.0 secs Computing kpt #: 57 total cpu time spent up to now is 116.1 secs Computing kpt #: 58 total cpu time spent up to now is 118.2 secs Computing kpt #: 59 total cpu time spent up to now is 120.4 secs Computing kpt #: 60 total cpu time spent up to now is 122.6 secs Computing kpt #: 61 total cpu time spent up to now is 124.9 secs Computing kpt #: 62 total cpu time spent up to now is 127.0 secs Computing kpt #: 63 total cpu time spent up to now is 129.2 secs Computing kpt #: 64 total cpu time spent up to now is 131.5 secs Computing kpt #: 65 total cpu time spent up to now is 133.8 secs Computing kpt #: 66 total cpu time spent up to now is 136.2 secs Computing kpt #: 67 total cpu time spent up to now is 138.5 secs Computing kpt #: 68 total cpu time spent up to now is 140.8 secs Computing kpt #: 69 total cpu time spent up to now is 143.1 secs Computing kpt #: 70 total cpu time spent up to now is 145.3 secs Computing kpt #: 71 total cpu time spent up to now is 147.4 secs Computing kpt #: 72 total cpu time spent up to now is 149.5 secs Computing kpt #: 73 total cpu time spent up to now is 151.7 secs Computing kpt #: 74 total cpu time spent up to now is 153.9 secs Computing kpt #: 75 total cpu time spent up to now is 156.1 secs Computing kpt #: 76 total cpu time spent up to now is 158.2 secs Computing kpt #: 77 total cpu time spent up to now is 160.4 secs Computing kpt #: 78 total cpu time spent up to now is 162.5 secs Computing kpt #: 79 total cpu time spent up to now is 164.6 secs Computing kpt #: 80 total cpu time spent up to now is 166.7 secs Computing kpt #: 81 total cpu time spent up to now is 168.8 secs Computing kpt #: 82 total cpu time spent up to now is 170.9 secs Computing kpt #: 83 total cpu time spent up to now is 173.0 secs Computing kpt #: 84 total cpu time spent up to now is 175.1 secs Computing kpt #: 85 total cpu time spent up to now is 177.2 secs Computing kpt #: 86 total cpu time spent up to now is 179.2 secs Computing kpt #: 87 total cpu time spent up to now is 181.3 secs Computing kpt #: 88 total cpu time spent up to now is 183.4 secs Computing kpt #: 89 total cpu time spent up to now is 185.5 secs Computing kpt #: 90 total cpu time spent up to now is 187.6 secs Computing kpt #: 91 total cpu time spent up to now is 189.7 secs Computing kpt #: 92 total cpu time spent up to now is 191.7 secs Computing kpt #: 93 total cpu time spent up to now is 193.8 secs Computing kpt #: 94 total cpu time spent up to now is 195.9 secs Computing kpt #: 95 total cpu time spent up to now is 198.0 secs Computing kpt #: 96 total cpu time spent up to now is 200.0 secs Computing kpt #: 97 total cpu time spent up to now is 202.1 secs Computing kpt #: 98 total cpu time spent up to now is 204.0 secs Computing kpt #: 99 total cpu time spent up to now is 206.1 secs Computing kpt #: 100 total cpu time spent up to now is 208.1 secs Computing kpt #: 101 total cpu time spent up to now is 210.2 secs Computing kpt #: 102 total cpu time spent up to now is 212.3 secs Computing kpt #: 103 total cpu time spent up to now is 214.3 secs Computing kpt #: 104 total cpu time spent up to now is 216.4 secs Computing kpt #: 105 total cpu time spent up to now is 218.5 secs Computing kpt #: 106 total cpu time spent up to now is 220.6 secs Computing kpt #: 107 total cpu time spent up to now is 222.6 secs Computing kpt #: 108 total cpu time spent up to now is 224.7 secs Computing kpt #: 109 total cpu time spent up to now is 226.8 secs Computing kpt #: 110 total cpu time spent up to now is 228.9 secs Computing kpt #: 111 total cpu time spent up to now is 231.0 secs Computing kpt #: 112 total cpu time spent up to now is 233.1 secs Computing kpt #: 113 total cpu time spent up to now is 235.2 secs Computing kpt #: 114 total cpu time spent up to now is 237.3 secs Computing kpt #: 115 total cpu time spent up to now is 239.4 secs Computing kpt #: 116 total cpu time spent up to now is 241.5 secs Computing kpt #: 117 total cpu time spent up to now is 243.6 secs Computing kpt #: 118 total cpu time spent up to now is 245.7 secs Computing kpt #: 119 total cpu time spent up to now is 247.9 secs Computing kpt #: 120 total cpu time spent up to now is 250.0 secs Computing kpt #: 121 total cpu time spent up to now is 252.1 secs Computing kpt #: 122 total cpu time spent up to now is 254.3 secs Computing kpt #: 123 total cpu time spent up to now is 256.4 secs Computing kpt #: 124 total cpu time spent up to now is 258.5 secs Computing kpt #: 125 total cpu time spent up to now is 260.7 secs Computing kpt #: 126 total cpu time spent up to now is 262.8 secs Computing kpt #: 127 total cpu time spent up to now is 265.0 secs Computing kpt #: 128 total cpu time spent up to now is 267.2 secs Computing kpt #: 129 total cpu time spent up to now is 269.3 secs Computing kpt #: 130 total cpu time spent up to now is 271.4 secs Computing kpt #: 131 total cpu time spent up to now is 273.7 secs Computing kpt #: 132 total cpu time spent up to now is 275.8 secs Computing kpt #: 133 total cpu time spent up to now is 277.9 secs Computing kpt #: 134 total cpu time spent up to now is 280.0 secs Computing kpt #: 135 total cpu time spent up to now is 282.1 secs Computing kpt #: 136 total cpu time spent up to now is 284.1 secs Computing kpt #: 137 total cpu time spent up to now is 286.2 secs Computing kpt #: 138 total cpu time spent up to now is 288.3 secs Computing kpt #: 139 total cpu time spent up to now is 290.3 secs Computing kpt #: 140 total cpu time spent up to now is 292.4 secs Computing kpt #: 141 total cpu time spent up to now is 294.5 secs Computing kpt #: 142 total cpu time spent up to now is 296.6 secs Computing kpt #: 143 total cpu time spent up to now is 298.6 secs Computing kpt #: 144 total cpu time spent up to now is 300.7 secs Computing kpt #: 145 total cpu time spent up to now is 302.8 secs Computing kpt #: 146 total cpu time spent up to now is 304.8 secs Computing kpt #: 147 total cpu time spent up to now is 306.9 secs Computing kpt #: 148 total cpu time spent up to now is 309.0 secs Computing kpt #: 149 total cpu time spent up to now is 311.0 secs Computing kpt #: 150 total cpu time spent up to now is 312.9 secs Computing kpt #: 151 total cpu time spent up to now is 315.0 secs Computing kpt #: 152 total cpu time spent up to now is 317.0 secs Computing kpt #: 153 total cpu time spent up to now is 319.1 secs Computing kpt #: 154 total cpu time spent up to now is 321.2 secs Computing kpt #: 155 total cpu time spent up to now is 323.3 secs Computing kpt #: 156 total cpu time spent up to now is 325.5 secs Computing kpt #: 157 total cpu time spent up to now is 327.6 secs Computing kpt #: 158 total cpu time spent up to now is 329.8 secs Computing kpt #: 159 total cpu time spent up to now is 332.0 secs Computing kpt #: 160 total cpu time spent up to now is 334.2 secs Computing kpt #: 161 total cpu time spent up to now is 336.4 secs Computing kpt #: 162 total cpu time spent up to now is 338.7 secs Computing kpt #: 163 total cpu time spent up to now is 341.0 secs Computing kpt #: 164 total cpu time spent up to now is 343.2 secs Computing kpt #: 165 total cpu time spent up to now is 345.5 secs Computing kpt #: 166 total cpu time spent up to now is 347.7 secs Computing kpt #: 167 total cpu time spent up to now is 349.9 secs Computing kpt #: 168 total cpu time spent up to now is 352.0 secs Computing kpt #: 169 total cpu time spent up to now is 354.1 secs Computing kpt #: 170 total cpu time spent up to now is 356.3 secs Computing kpt #: 171 total cpu time spent up to now is 358.4 secs Computing kpt #: 172 total cpu time spent up to now is 360.6 secs Computing kpt #: 173 total cpu time spent up to now is 362.7 secs Computing kpt #: 174 total cpu time spent up to now is 364.9 secs Computing kpt #: 175 total cpu time spent up to now is 367.0 secs Computing kpt #: 176 total cpu time spent up to now is 369.1 secs Computing kpt #: 177 total cpu time spent up to now is 371.2 secs Computing kpt #: 178 total cpu time spent up to now is 373.3 secs Computing kpt #: 179 total cpu time spent up to now is 375.5 secs Computing kpt #: 180 total cpu time spent up to now is 377.6 secs Computing kpt #: 181 total cpu time spent up to now is 379.8 secs Computing kpt #: 182 total cpu time spent up to now is 382.0 secs Computing kpt #: 183 total cpu time spent up to now is 384.2 secs Computing kpt #: 184 total cpu time spent up to now is 386.4 secs Computing kpt #: 185 total cpu time spent up to now is 388.5 secs Computing kpt #: 186 total cpu time spent up to now is 390.7 secs Computing kpt #: 187 total cpu time spent up to now is 392.8 secs Computing kpt #: 188 total cpu time spent up to now is 395.0 secs Computing kpt #: 189 total cpu time spent up to now is 397.1 secs Computing kpt #: 190 total cpu time spent up to now is 399.2 secs Computing kpt #: 191 total cpu time spent up to now is 401.4 secs Computing kpt #: 192 total cpu time spent up to now is 403.5 secs Computing kpt #: 193 total cpu time spent up to now is 405.7 secs Computing kpt #: 194 total cpu time spent up to now is 407.8 secs Computing kpt #: 195 total cpu time spent up to now is 409.9 secs Computing kpt #: 196 total cpu time spent up to now is 412.0 secs Computing kpt #: 197 total cpu time spent up to now is 414.1 secs Computing kpt #: 198 total cpu time spent up to now is 416.2 secs Computing kpt #: 199 total cpu time spent up to now is 418.4 secs Computing kpt #: 200 total cpu time spent up to now is 420.5 secs Computing kpt #: 201 total cpu time spent up to now is 422.6 secs Computing kpt #: 202 total cpu time spent up to now is 424.7 secs Computing kpt #: 203 total cpu time spent up to now is 426.8 secs Computing kpt #: 204 total cpu time spent up to now is 428.9 secs Computing kpt #: 205 total cpu time spent up to now is 431.1 secs Computing kpt #: 206 total cpu time spent up to now is 433.2 secs Computing kpt #: 207 total cpu time spent up to now is 435.3 secs Computing kpt #: 208 total cpu time spent up to now is 437.4 secs Computing kpt #: 209 total cpu time spent up to now is 439.5 secs Computing kpt #: 210 total cpu time spent up to now is 441.7 secs Computing kpt #: 211 total cpu time spent up to now is 443.8 secs Computing kpt #: 212 total cpu time spent up to now is 445.8 secs Computing kpt #: 213 total cpu time spent up to now is 447.9 secs Computing kpt #: 214 total cpu time spent up to now is 450.0 secs Computing kpt #: 215 total cpu time spent up to now is 452.1 secs Computing kpt #: 216 total cpu time spent up to now is 454.2 secs Computing kpt #: 217 total cpu time spent up to now is 456.3 secs Computing kpt #: 218 total cpu time spent up to now is 458.4 secs Computing kpt #: 219 total cpu time spent up to now is 460.5 secs Computing kpt #: 220 total cpu time spent up to now is 462.6 secs Computing kpt #: 221 total cpu time spent up to now is 464.8 secs Computing kpt #: 222 total cpu time spent up to now is 466.9 secs Computing kpt #: 223 total cpu time spent up to now is 469.0 secs Computing kpt #: 224 total cpu time spent up to now is 471.1 secs Computing kpt #: 225 total cpu time spent up to now is 473.2 secs Computing kpt #: 226 total cpu time spent up to now is 475.3 secs Computing kpt #: 227 total cpu time spent up to now is 477.4 secs Computing kpt #: 228 total cpu time spent up to now is 479.6 secs Computing kpt #: 229 total cpu time spent up to now is 481.7 secs Computing kpt #: 230 total cpu time spent up to now is 483.8 secs Computing kpt #: 231 total cpu time spent up to now is 485.9 secs Computing kpt #: 232 total cpu time spent up to now is 488.0 secs Computing kpt #: 233 total cpu time spent up to now is 490.2 secs Computing kpt #: 234 total cpu time spent up to now is 492.3 secs Computing kpt #: 235 total cpu time spent up to now is 494.5 secs Computing kpt #: 236 total cpu time spent up to now is 496.8 secs Computing kpt #: 237 total cpu time spent up to now is 499.0 secs Computing kpt #: 238 total cpu time spent up to now is 501.2 secs Computing kpt #: 239 total cpu time spent up to now is 503.5 secs Computing kpt #: 240 total cpu time spent up to now is 505.7 secs Computing kpt #: 241 total cpu time spent up to now is 507.9 secs Computing kpt #: 242 total cpu time spent up to now is 510.0 secs Computing kpt #: 243 total cpu time spent up to now is 512.2 secs Computing kpt #: 244 total cpu time spent up to now is 514.3 secs Computing kpt #: 245 total cpu time spent up to now is 516.4 secs Computing kpt #: 246 total cpu time spent up to now is 518.5 secs Computing kpt #: 247 total cpu time spent up to now is 520.7 secs Computing kpt #: 248 total cpu time spent up to now is 522.8 secs Computing kpt #: 249 total cpu time spent up to now is 524.9 secs Computing kpt #: 250 total cpu time spent up to now is 527.0 secs Computing kpt #: 251 total cpu time spent up to now is 529.1 secs Computing kpt #: 252 total cpu time spent up to now is 531.3 secs Computing kpt #: 253 total cpu time spent up to now is 533.4 secs Computing kpt #: 254 total cpu time spent up to now is 535.5 secs Computing kpt #: 255 total cpu time spent up to now is 537.6 secs Computing kpt #: 256 total cpu time spent up to now is 539.7 secs Computing kpt #: 257 total cpu time spent up to now is 541.9 secs Computing kpt #: 258 total cpu time spent up to now is 544.0 secs Computing kpt #: 259 total cpu time spent up to now is 546.1 secs Computing kpt #: 260 total cpu time spent up to now is 548.2 secs Computing kpt #: 261 total cpu time spent up to now is 550.4 secs Computing kpt #: 262 total cpu time spent up to now is 552.5 secs Computing kpt #: 263 total cpu time spent up to now is 554.6 secs Computing kpt #: 264 total cpu time spent up to now is 556.7 secs Computing kpt #: 265 total cpu time spent up to now is 558.9 secs Computing kpt #: 266 total cpu time spent up to now is 561.0 secs Computing kpt #: 267 total cpu time spent up to now is 563.1 secs Computing kpt #: 268 total cpu time spent up to now is 565.2 secs Computing kpt #: 269 total cpu time spent up to now is 567.3 secs Computing kpt #: 270 total cpu time spent up to now is 569.4 secs Computing kpt #: 271 total cpu time spent up to now is 571.5 secs Computing kpt #: 272 total cpu time spent up to now is 573.6 secs Computing kpt #: 273 total cpu time spent up to now is 575.7 secs Computing kpt #: 274 total cpu time spent up to now is 577.8 secs Computing kpt #: 275 total cpu time spent up to now is 579.9 secs Computing kpt #: 276 total cpu time spent up to now is 582.0 secs Computing kpt #: 277 total cpu time spent up to now is 584.1 secs Computing kpt #: 278 total cpu time spent up to now is 586.2 secs Computing kpt #: 279 total cpu time spent up to now is 588.3 secs Computing kpt #: 280 total cpu time spent up to now is 590.4 secs Computing kpt #: 281 total cpu time spent up to now is 592.5 secs Computing kpt #: 282 total cpu time spent up to now is 594.6 secs Computing kpt #: 283 total cpu time spent up to now is 596.7 secs Computing kpt #: 284 total cpu time spent up to now is 598.8 secs Computing kpt #: 285 total cpu time spent up to now is 601.0 secs Computing kpt #: 286 total cpu time spent up to now is 603.1 secs Computing kpt #: 287 total cpu time spent up to now is 605.2 secs Computing kpt #: 288 total cpu time spent up to now is 607.3 secs Computing kpt #: 289 total cpu time spent up to now is 609.4 secs Computing kpt #: 290 total cpu time spent up to now is 611.6 secs Computing kpt #: 291 total cpu time spent up to now is 613.6 secs Computing kpt #: 292 total cpu time spent up to now is 615.7 secs Computing kpt #: 293 total cpu time spent up to now is 617.8 secs ethr = 2.08E-11, avg # of iterations = 24.3 total cpu time spent up to now is 617.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 14449 PWs) bands (ev): -9.1766 -9.1766 -8.8533 -8.8533 -8.2628 -8.2628 -8.2247 -8.2247 -7.1567 -7.1567 -6.0122 -6.0122 -5.5457 -5.5457 -4.0990 -4.0990 0.4379 0.4379 0.5600 0.5600 0.8415 0.8415 1.0220 1.0220 1.0812 1.0812 1.2927 1.2927 1.5002 1.5002 1.7247 1.7247 1.9302 1.9302 2.1133 2.1133 2.3412 2.3412 2.5418 2.5418 2.7114 2.7114 3.4262 3.4262 3.8220 3.8220 4.3217 4.3217 4.7671 4.7671 5.5822 5.5822 5.7051 5.7051 6.3439 6.3439 6.8012 6.8012 k = 0.0217 0.0067-0.0073 ( 14440 PWs) bands (ev): -9.1759 -9.1759 -8.8531 -8.8531 -8.2630 -8.2630 -8.2258 -8.2258 -7.1576 -7.1576 -6.0111 -6.0111 -5.5447 -5.5447 -4.0999 -4.0999 0.4376 0.4376 0.5609 0.5609 0.8420 0.8420 1.0111 1.0111 1.0887 1.0887 1.2923 1.2923 1.5028 1.5028 1.7230 1.7230 1.9330 1.9330 2.1150 2.1150 2.3439 2.3439 2.5395 2.5395 2.7129 2.7129 3.4243 3.4243 3.8240 3.8240 4.3204 4.3204 4.7656 4.7656 5.5719 5.5719 5.7147 5.7147 6.3427 6.3427 6.7973 6.7973 k = 0.0435 0.0134-0.0147 ( 14424 PWs) bands (ev): -9.1737 -9.1737 -8.8525 -8.8525 -8.2639 -8.2639 -8.2289 -8.2289 -7.1602 -7.1602 -6.0076 -6.0076 -5.5416 -5.5416 -4.1027 -4.1027 0.4365 0.4365 0.5637 0.5637 0.8434 0.8434 0.9868 0.9868 1.1036 1.1036 1.2910 1.2910 1.5105 1.5105 1.7181 1.7181 1.9413 1.9413 2.1202 2.1202 2.3509 2.3509 2.5340 2.5340 2.7170 2.7170 3.4187 3.4187 3.8297 3.8297 4.3167 4.3167 4.7612 4.7612 5.5473 5.5473 5.7374 5.7374 6.3392 6.3392 6.7859 6.7859 k = 0.0652 0.0201-0.0220 ( 14399 PWs) bands (ev): -9.1701 -9.1701 -8.8516 -8.8516 -8.2654 -8.2654 -8.2342 -8.2342 -7.1645 -7.1645 -6.0020 -6.0020 -5.5365 -5.5365 -4.1072 -4.1072 0.4344 0.4344 0.5690 0.5690 0.8450 0.8450 0.9563 0.9563 1.1196 1.1196 1.2887 1.2887 1.5228 1.5228 1.7106 1.7106 1.9542 1.9542 2.1292 2.1292 2.3597 2.3597 2.5282 2.5282 2.7226 2.7226 3.4097 3.4097 3.8386 3.8386 4.3106 4.3106 4.7541 4.7541 5.5162 5.5162 5.7652 5.7652 6.3335 6.3335 6.7674 6.7674 k = 0.0870 0.0268-0.0293 ( 14395 PWs) bands (ev): -9.1651 -9.1651 -8.8503 -8.8503 -8.2676 -8.2676 -8.2414 -8.2414 -7.1703 -7.1703 -5.9944 -5.9944 -5.5295 -5.5295 -4.1134 -4.1134 0.4313 0.4313 0.5771 0.5771 0.8458 0.8458 0.9225 0.9225 1.1360 1.1360 1.2855 1.2855 1.5388 1.5388 1.7011 1.7011 1.9708 1.9708 2.1422 2.1422 2.3666 2.3666 2.5269 2.5269 2.7287 2.7287 3.3977 3.3977 3.8497 3.8497 4.3027 4.3027 4.7444 4.7444 5.4825 5.4825 5.7943 5.7943 6.3257 6.3257 6.7426 6.7426 k = 0.1087 0.0335-0.0367 ( 14394 PWs) bands (ev): -9.1588 -9.1588 -8.8486 -8.8486 -8.2704 -8.2704 -8.2504 -8.2504 -7.1774 -7.1774 -5.9852 -5.9852 -5.5206 -5.5206 -4.1212 -4.1212 0.4271 0.4271 0.5882 0.5882 0.8448 0.8448 0.8869 0.8869 1.1529 1.1529 1.2820 1.2820 1.5569 1.5569 1.6907 1.6907 1.9902 1.9902 2.1587 2.1587 2.3682 2.3682 2.5342 2.5342 2.7345 2.7345 3.3830 3.3830 3.8620 3.8620 4.2934 4.2934 4.7323 4.7323 5.4478 5.4478 5.8232 5.8232 6.3158 6.3158 6.7123 6.7123 k = 0.1304 0.0402-0.0440 ( 14398 PWs) bands (ev): -9.1511 -9.1511 -8.8467 -8.8467 -8.2743 -8.2743 -8.2609 -8.2609 -7.1854 -7.1854 -5.9746 -5.9746 -5.5100 -5.5100 -4.1305 -4.1305 0.4222 0.4222 0.6019 0.6019 0.8373 0.8373 0.8548 0.8548 1.1698 1.1698 1.2798 1.2798 1.5749 1.5749 1.6807 1.6807 2.0117 2.0117 2.1773 2.1773 2.3647 2.3647 2.5511 2.5511 2.7397 2.7397 3.3661 3.3661 3.8741 3.8741 4.2831 4.2831 4.7182 4.7182 5.4131 5.4131 5.8507 5.8507 6.3040 6.3040 6.6776 6.6776 k = 0.1522 0.0469-0.0513 ( 14394 PWs) bands (ev): -9.1421 -9.1421 -8.8444 -8.8444 -8.2803 -8.2803 -8.2716 -8.2716 -7.1941 -7.1941 -5.9630 -5.9630 -5.4977 -5.4977 -4.1410 -4.1410 0.4170 0.4170 0.6176 0.6176 0.8066 0.8066 0.8438 0.8438 1.1850 1.1850 1.2816 1.2816 1.5894 1.5894 1.6736 1.6736 2.0342 2.0342 2.1959 2.1959 2.3607 2.3607 2.5750 2.5750 2.7445 2.7445 3.3472 3.3472 3.8851 3.8851 4.2727 4.2727 4.7022 4.7022 5.3791 5.3791 5.8762 5.8762 6.2905 6.2905 6.6396 6.6396 k = 0.1739 0.0536-0.0587 ( 14388 PWs) bands (ev): -9.1319 -9.1319 -8.8418 -8.8418 -8.2914 -8.2914 -8.2792 -8.2792 -7.2031 -7.2031 -5.9508 -5.9508 -5.4840 -5.4840 -4.1526 -4.1526 0.4120 0.4120 0.6344 0.6344 0.7692 0.7692 0.8386 0.8386 1.1958 1.1958 1.2905 1.2905 1.5959 1.5959 1.6730 1.6730 2.0567 2.0567 2.2116 2.2116 2.3621 2.3621 2.6024 2.6024 2.7495 2.7495 3.3264 3.3264 3.8941 3.8941 4.2627 4.2627 4.6847 4.6847 5.3465 5.3465 5.8988 5.8988 6.2753 6.2753 6.5996 6.5996 k = 0.1957 0.0602-0.0660 ( 14388 PWs) bands (ev): -9.1205 -9.1205 -8.8389 -8.8389 -8.3062 -8.3062 -8.2852 -8.2852 -7.2124 -7.2124 -5.9382 -5.9382 -5.4690 -5.4690 -4.1651 -4.1651 0.4074 0.4074 0.6506 0.6506 0.7320 0.7320 0.8341 0.8341 1.2009 1.2009 1.3082 1.3082 1.5928 1.5928 1.6794 1.6794 2.0778 2.0778 2.2232 2.2232 2.3731 2.3731 2.6300 2.6300 2.7557 2.7557 3.3041 3.3041 3.9002 3.9002 4.2535 4.2535 4.6660 4.6660 5.3160 5.3160 5.9176 5.9176 6.2589 6.2589 6.5590 6.5590 k = 0.2174 0.0669-0.0733 ( 14387 PWs) bands (ev): -9.1081 -9.1081 -8.8358 -8.8358 -8.3228 -8.3228 -8.2911 -8.2911 -7.2214 -7.2214 -5.9257 -5.9257 -5.4530 -5.4530 -4.1783 -4.1783 0.4035 0.4035 0.6626 0.6626 0.6984 0.6984 0.8309 0.8309 1.2024 1.2024 1.3326 1.3326 1.5833 1.5833 1.6885 1.6885 2.0960 2.0960 2.2333 2.2333 2.3939 2.3939 2.6545 2.6545 2.7649 2.7649 3.2802 3.2802 3.9032 3.9032 4.2456 4.2456 4.6461 4.6461 5.2880 5.2880 5.9314 5.9314 6.2417 6.2417 6.5194 6.5194 k = 0.2391 0.0736-0.0807 ( 14392 PWs) bands (ev): -9.0948 -9.0948 -8.8326 -8.8326 -8.3404 -8.3404 -8.2974 -8.2974 -7.2302 -7.2302 -5.9135 -5.9135 -5.4361 -5.4361 -4.1919 -4.1919 0.4005 0.4005 0.6499 0.6499 0.6880 0.6880 0.8299 0.8299 1.2030 1.2030 1.3606 1.3606 1.5711 1.5711 1.6961 1.6961 2.1106 2.1106 2.2461 2.2461 2.4214 2.4214 2.6732 2.6732 2.7788 2.7788 3.2550 3.2550 3.9032 3.9032 4.2390 4.2390 4.6253 4.6253 5.2634 5.2634 5.9387 5.9387 6.2246 6.2246 6.4822 6.4822 k = 0.2609 0.0803-0.0880 ( 14385 PWs) bands (ev): -9.0806 -9.0806 -8.8293 -8.8293 -8.3588 -8.3588 -8.3041 -8.3041 -7.2384 -7.2384 -5.9018 -5.9018 -5.4186 -5.4186 -4.2058 -4.2058 0.3984 0.3984 0.6183 0.6183 0.6944 0.6944 0.8318 0.8318 1.2047 1.2047 1.3896 1.3896 1.5581 1.5581 1.6997 1.6997 2.1227 2.1227 2.2637 2.2637 2.4525 2.4525 2.6855 2.6855 2.7974 2.7974 3.2286 3.2286 3.9007 3.9007 4.2333 4.2333 4.6039 4.6039 5.2423 5.2423 5.9377 5.9377 6.2092 6.2092 6.4486 6.4486 k = 0.2826 0.0870-0.0953 ( 14387 PWs) bands (ev): -9.0658 -9.0658 -8.8259 -8.8259 -8.3777 -8.3777 -8.3110 -8.3110 -7.2459 -7.2459 -5.8910 -5.8910 -5.4008 -5.4008 -4.2197 -4.2197 0.3972 0.3972 0.5862 0.5862 0.6993 0.6993 0.8365 0.8365 1.2087 1.2087 1.4172 1.4172 1.5463 1.5463 1.6989 1.6989 2.1344 2.1344 2.2851 2.2851 2.4850 2.4850 2.6932 2.6932 2.8184 2.8184 3.2012 3.2012 3.8967 3.8967 4.2282 4.2282 4.5823 4.5823 5.2252 5.2252 5.9271 5.9271 6.1972 6.1972 6.4191 6.4191 k = 0.3043 0.0937-0.1027 ( 14392 PWs) bands (ev): -9.0505 -9.0505 -8.8226 -8.8226 -8.3968 -8.3968 -8.3180 -8.3180 -7.2528 -7.2528 -5.8811 -5.8811 -5.3831 -5.3831 -4.2334 -4.2334 0.3968 0.3968 0.5558 0.5558 0.7014 0.7014 0.8430 0.8430 1.2155 1.2155 1.4396 1.4396 1.5381 1.5381 1.6940 1.6940 2.1478 2.1478 2.3083 2.3083 2.5172 2.5172 2.6990 2.6990 2.8391 2.8391 3.1731 3.1731 3.8921 3.8921 4.2227 4.2227 4.5613 4.5613 5.2119 5.2119 5.9068 5.9068 6.1896 6.1896 6.3938 6.3938 k = 0.3261 0.1004-0.1100 ( 14385 PWs) bands (ev): -9.0350 -9.0350 -8.8195 -8.8195 -8.4158 -8.4158 -8.3250 -8.3250 -7.2588 -7.2588 -5.8722 -5.8722 -5.3658 -5.3658 -4.2465 -4.2465 0.3971 0.3971 0.5277 0.5277 0.7015 0.7015 0.8501 0.8501 1.2252 1.2252 1.4514 1.4514 1.5383 1.5383 1.6864 1.6864 2.1635 2.1635 2.3313 2.3313 2.5478 2.5478 2.7053 2.7053 2.8571 2.8571 3.1449 3.1449 3.8881 3.8881 4.2160 4.2160 4.5417 4.5417 5.2023 5.2023 5.8783 5.8783 6.1867 6.1867 6.3722 6.3722 k = 0.3478 0.1071-0.1173 ( 14391 PWs) bands (ev): -9.0196 -9.0196 -8.8167 -8.8167 -8.4342 -8.4342 -8.3319 -8.3319 -7.2640 -7.2640 -5.8644 -5.8644 -5.3492 -5.3492 -4.2589 -4.2589 0.3978 0.3978 0.5022 0.5022 0.7007 0.7007 0.8570 0.8570 1.2372 1.2372 1.4498 1.4498 1.5491 1.5491 1.6776 1.6776 2.1817 2.1817 2.3520 2.3520 2.5760 2.5760 2.7141 2.7141 2.8707 2.8707 3.1171 3.1171 3.8857 3.8857 4.2070 4.2070 4.5248 4.5248 5.1959 5.1959 5.8443 5.8443 6.1875 6.1875 6.3537 6.3537 k = 0.3696 0.1138-0.1247 ( 14398 PWs) bands (ev): -9.0046 -9.0046 -8.8142 -8.8142 -8.4516 -8.4516 -8.3383 -8.3383 -7.2684 -7.2684 -5.8578 -5.8578 -5.3338 -5.3338 -4.2704 -4.2704 0.3989 0.3989 0.4797 0.4797 0.6994 0.6994 0.8630 0.8630 1.2511 1.2511 1.4390 1.4390 1.5656 1.5656 1.6689 1.6689 2.2018 2.2018 2.3690 2.3690 2.6014 2.6014 2.7263 2.7263 2.8785 2.8785 3.0907 3.0907 3.8855 3.8855 4.1949 4.1949 4.5116 4.5116 5.1920 5.1920 5.8078 5.8078 6.1912 6.1912 6.3374 6.3374 k = 0.3913 0.1205-0.1320 ( 14404 PWs) bands (ev): -8.9904 -8.9904 -8.8122 -8.8122 -8.4677 -8.4677 -8.3442 -8.3442 -7.2720 -7.2720 -5.8522 -5.8522 -5.3199 -5.3199 -4.2806 -4.2806 0.4001 0.4001 0.4602 0.4602 0.6983 0.6983 0.8681 0.8681 1.2658 1.2658 1.4242 1.4242 1.5828 1.5828 1.6612 1.6612 2.2231 2.2231 2.3806 2.3806 2.6246 2.6246 2.7421 2.7421 2.8797 2.8797 3.0666 3.0666 3.8883 3.8883 4.1795 4.1795 4.5025 4.5025 5.1902 5.1902 5.7716 5.7716 6.1971 6.1971 6.3226 6.3226 k = 0.4130 0.1272-0.1393 ( 14388 PWs) bands (ev): -8.9775 -8.9775 -8.8107 -8.8107 -8.4818 -8.4818 -8.3493 -8.3493 -7.2749 -7.2749 -5.8478 -5.8478 -5.3080 -5.3080 -4.2893 -4.2893 0.4014 0.4014 0.4439 0.4439 0.6974 0.6974 0.8722 0.8722 1.2808 1.2808 1.4081 1.4081 1.5980 1.5980 1.6551 1.6551 2.2448 2.2448 2.3863 2.3863 2.6468 2.6468 2.7600 2.7600 2.8739 2.8739 3.0459 3.0459 3.8938 3.8938 4.1616 4.1616 4.4974 4.4974 5.1897 5.1897 5.7382 5.7382 6.2047 6.2047 6.3088 6.3088 k = 0.4348 0.1339-0.1467 ( 14389 PWs) bands (ev): -8.9665 -8.9665 -8.8097 -8.8097 -8.4935 -8.4935 -8.3535 -8.3535 -7.2771 -7.2771 -5.8443 -5.8443 -5.2983 -5.2983 -4.2964 -4.2964 0.4027 0.4027 0.4309 0.4309 0.6969 0.6969 0.8753 0.8753 1.2951 1.2951 1.3921 1.3921 1.6104 1.6104 1.6507 1.6507 2.2660 2.2660 2.3861 2.3861 2.6686 2.6686 2.7777 2.7777 2.8622 2.8622 3.0292 3.0292 3.9015 3.9015 4.1427 4.1427 4.4954 4.4954 5.1900 5.1900 5.7096 5.7096 6.2133 6.2133 6.2959 6.2959 k = 0.4565 0.1406-0.1540 ( 14401 PWs) bands (ev): -8.9581 -8.9581 -8.8091 -8.8091 -8.5022 -8.5022 -8.3566 -8.3566 -7.2786 -7.2786 -5.8419 -5.8419 -5.2911 -5.2911 -4.3016 -4.3016 0.4041 0.4041 0.4212 0.4212 0.6966 0.6966 0.8776 0.8776 1.3083 1.3083 1.3773 1.3773 1.6195 1.6195 1.6476 1.6476 2.2853 2.2853 2.3814 2.3814 2.6895 2.6895 2.7926 2.7926 2.8474 2.8474 3.0167 3.0167 3.9099 3.9099 4.1253 4.1253 4.4952 4.4952 5.1906 5.1906 5.6877 5.6877 6.2225 6.2225 6.2840 6.2840 k = 0.4783 0.1473-0.1613 ( 14396 PWs) bands (ev): -8.9527 -8.9527 -8.8088 -8.8088 -8.5077 -8.5077 -8.3586 -8.3586 -7.2795 -7.2795 -5.8405 -5.8405 -5.2867 -5.2867 -4.3048 -4.3048 0.4056 0.4056 0.4146 0.4146 0.6965 0.6965 0.8789 0.8789 1.3192 1.3192 1.3653 1.3653 1.6252 1.6252 1.6457 1.6457 2.3003 2.3003 2.3750 2.3750 2.7064 2.7064 2.8019 2.8019 2.8345 2.8345 3.0088 3.0088 3.9168 3.9168 4.1127 4.1127 4.4956 4.4956 5.1912 5.1912 5.6740 5.6740 6.2307 6.2307 6.2742 6.2742 k = 0.5000 0.1540-0.1687 ( 14400 PWs) bands (ev): -8.9508 -8.9508 -8.8088 -8.8088 -8.5096 -8.5096 -8.3592 -8.3592 -7.2798 -7.2798 -5.8400 -5.8400 -5.2853 -5.2853 -4.3058 -4.3058 0.4067 0.4067 0.4118 0.4118 0.6964 0.6964 0.8794 0.8794 1.3242 1.3242 1.3600 1.3600 1.6272 1.6272 1.6450 1.6450 2.3064 2.3064 2.3717 2.3717 2.7134 2.7134 2.8043 2.8043 2.8297 2.8297 3.0060 3.0060 3.9195 3.9195 4.1080 4.1080 4.4959 4.4959 5.1914 5.1914 5.6693 5.6693 6.2345 6.2345 6.2699 6.2699 k = 0.5000 0.1540-0.1687 ( 14400 PWs) bands (ev): -8.9508 -8.9508 -8.8088 -8.8088 -8.5096 -8.5096 -8.3592 -8.3592 -7.2798 -7.2798 -5.8400 -5.8400 -5.2853 -5.2853 -4.3058 -4.3058 0.4067 0.4067 0.4118 0.4118 0.6964 0.6964 0.8794 0.8794 1.3242 1.3242 1.3600 1.3600 1.6272 1.6272 1.6450 1.6450 2.3064 2.3064 2.3717 2.3717 2.7134 2.7134 2.8043 2.8043 2.8297 2.8297 3.0060 3.0060 3.9195 3.9195 4.1080 4.1080 4.4959 4.4959 5.1914 5.1914 5.6693 5.6693 6.2345 6.2345 6.2699 6.2699 k = 0.5064 0.1559-0.1479 ( 14402 PWs) bands (ev): -8.9507 -8.9507 -8.8091 -8.8091 -8.5095 -8.5095 -8.3592 -8.3592 -7.2798 -7.2798 -5.8393 -5.8393 -5.2862 -5.2862 -4.3053 -4.3053 0.3957 0.3957 0.4167 0.4167 0.6793 0.6793 0.9038 0.9038 1.3198 1.3198 1.3638 1.3638 1.6281 1.6281 1.6453 1.6453 2.3031 2.3031 2.3741 2.3741 2.7094 2.7094 2.8050 2.8050 2.8321 2.8321 3.0082 3.0082 3.9199 3.9199 4.1087 4.1087 4.4959 4.4959 5.1915 5.1915 5.6697 5.6697 6.2330 6.2330 6.2704 6.2704 k = 0.5128 0.1579-0.1270 ( 14399 PWs) bands (ev): -8.9501 -8.9501 -8.8100 -8.8100 -8.5091 -8.5091 -8.3592 -8.3592 -7.2799 -7.2799 -5.8371 -5.8371 -5.2888 -5.2888 -4.3037 -4.3037 0.3732 0.3732 0.4202 0.4202 0.6461 0.6461 0.9585 0.9585 1.3098 1.3098 1.3728 1.3728 1.6304 1.6304 1.6464 1.6464 2.2946 2.2946 2.3800 2.3800 2.6991 2.6991 2.8059 2.8059 2.8389 2.8389 3.0148 3.0148 3.9210 3.9210 4.1107 4.1107 4.4961 4.4961 5.1917 5.1917 5.6710 5.6710 6.2289 6.2289 6.2717 6.2717 k = 0.5192 0.1599-0.1062 ( 14402 PWs) bands (ev): -8.9493 -8.9493 -8.8115 -8.8115 -8.5086 -8.5086 -8.3591 -8.3591 -7.2801 -7.2801 -5.8336 -5.8336 -5.2932 -5.2932 -4.3011 -4.3011 0.3400 0.3400 0.4223 0.4223 0.6157 0.6157 1.0225 1.0225 1.2981 1.2981 1.3850 1.3850 1.6329 1.6329 1.6496 1.6496 2.2831 2.2831 2.3874 2.3874 2.6850 2.6850 2.8059 2.8059 2.8486 2.8486 3.0257 3.0257 3.9222 3.9222 4.1144 4.1144 4.4962 4.4962 5.1920 5.1920 5.6730 5.6730 6.2227 6.2227 6.2730 6.2730 k = 0.5257 0.1619-0.0854 ( 14396 PWs) bands (ev): -8.9483 -8.9483 -8.8136 -8.8136 -8.5078 -8.5078 -8.3591 -8.3591 -7.2804 -7.2804 -5.8287 -5.8287 -5.2992 -5.2992 -4.2976 -4.2976 0.2975 0.2975 0.4239 0.4239 0.5931 0.5931 1.0841 1.0841 1.2883 1.2883 1.4009 1.4009 1.6346 1.6346 1.6558 1.6558 2.2701 2.2701 2.3947 2.3947 2.6691 2.6691 2.8051 2.8051 2.8589 2.8589 3.0403 3.0403 3.9228 3.9228 4.1204 4.1204 4.4965 4.4965 5.1924 5.1924 5.6759 5.6759 6.2147 6.2147 6.2738 6.2738 k = 0.5321 0.1638-0.0646 ( 14392 PWs) bands (ev): -8.9471 -8.9471 -8.8160 -8.8160 -8.5067 -8.5067 -8.3592 -8.3592 -7.2808 -7.2808 -5.8227 -5.8227 -5.3067 -5.3067 -4.2933 -4.2933 0.2492 0.2492 0.4251 0.4251 0.5776 0.5776 1.1320 1.1320 1.2858 1.2858 1.4227 1.4227 1.6363 1.6363 1.6647 1.6647 2.2566 2.2566 2.4012 2.4012 2.6530 2.6530 2.8037 2.8037 2.8687 2.8687 3.0581 3.0581 3.9219 3.9219 4.1290 4.1290 4.4967 4.4967 5.1927 5.1927 5.6796 5.6796 6.2053 6.2053 6.2737 6.2737 k = 0.5385 0.1658-0.0438 ( 14398 PWs) bands (ev): -8.9459 -8.9459 -8.8187 -8.8187 -8.5053 -8.5053 -8.3592 -8.3592 -7.2812 -7.2812 -5.8156 -5.8156 -5.3154 -5.3154 -4.2883 -4.2883 0.1988 0.1988 0.4262 0.4262 0.5672 0.5672 1.1553 1.1553 1.2961 1.2961 1.4525 1.4525 1.6400 1.6400 1.6759 1.6759 2.2431 2.2431 2.4066 2.4066 2.6373 2.6373 2.8017 2.8017 2.8774 2.8774 3.0782 3.0782 3.9189 3.9189 4.1407 4.1407 4.4970 4.4970 5.1928 5.1928 5.6843 5.6843 6.1945 6.1945 6.2722 6.2722 k = 0.5449 0.1678-0.0230 ( 14398 PWs) bands (ev): -8.9449 -8.9449 -8.8215 -8.8215 -8.5034 -8.5034 -8.3594 -8.3594 -7.2816 -7.2816 -5.8077 -5.8077 -5.3252 -5.3252 -4.2828 -4.2828 0.1489 0.1489 0.4272 0.4272 0.5601 0.5601 1.1556 1.1556 1.3149 1.3149 1.4878 1.4878 1.6490 1.6490 1.6898 1.6898 2.2301 2.2301 2.4105 2.4105 2.6228 2.6228 2.7992 2.7992 2.8848 2.8848 3.0995 3.0995 3.9131 3.9131 4.1552 4.1552 4.4973 4.4973 5.1925 5.1925 5.6898 5.6898 6.1825 6.1825 6.2689 6.2689 k = 0.5513 0.1698-0.0022 ( 14386 PWs) bands (ev): -8.9442 -8.9442 -8.8242 -8.8242 -8.5011 -8.5011 -8.3597 -8.3597 -7.2821 -7.2821 -5.7992 -5.7992 -5.3359 -5.3359 -4.2770 -4.2770 0.1013 0.1013 0.4281 0.4281 0.5554 0.5554 1.1443 1.1443 1.3332 1.3332 1.5190 1.5190 1.6662 1.6662 1.7095 1.7095 2.2182 2.2182 2.4127 2.4127 2.6102 2.6102 2.7962 2.7962 2.8911 2.8911 3.1211 3.1211 3.9046 3.9046 4.1721 4.1721 4.4977 4.4977 5.1917 5.1917 5.6962 5.6962 6.1696 6.1696 6.2636 6.2636 k = 0.5577 0.1717 0.0186 ( 14384 PWs) bands (ev): -8.9441 -8.9441 -8.8266 -8.8266 -8.4984 -8.4984 -8.3600 -8.3600 -7.2827 -7.2827 -5.7903 -5.7903 -5.3471 -5.3471 -4.2711 -4.2711 0.0572 0.0572 0.4289 0.4289 0.5523 0.5523 1.1286 1.1286 1.3483 1.3483 1.5375 1.5375 1.6864 1.6864 1.7428 1.7428 2.2077 2.2077 2.4130 2.4130 2.6001 2.6001 2.7924 2.7924 2.8963 2.8963 3.1423 3.1423 3.8935 3.8935 4.1907 4.1907 4.4981 4.4981 5.1901 5.1901 5.7035 5.7035 6.1560 6.1560 6.2560 6.2560 k = 0.5641 0.1737 0.0395 ( 14384 PWs) bands (ev): -8.9449 -8.9449 -8.8283 -8.8283 -8.4951 -8.4951 -8.3605 -8.3605 -7.2832 -7.2832 -5.7813 -5.7813 -5.3586 -5.3586 -4.2651 -4.2651 0.0174 0.0174 0.4294 0.4294 0.5506 0.5506 1.1116 1.1116 1.3608 1.3608 1.5444 1.5444 1.7022 1.7022 1.7902 1.7902 2.1994 2.1994 2.4115 2.4115 2.5929 2.5929 2.7877 2.7877 2.9005 2.9005 3.1624 3.1624 3.8801 3.8801 4.2101 4.2101 4.4987 4.4987 5.1876 5.1876 5.7116 5.7116 6.1423 6.1423 6.2460 6.2460 k = 0.5641 0.1737 0.0395 ( 14384 PWs) bands (ev): -8.9449 -8.9449 -8.8283 -8.8283 -8.4951 -8.4951 -8.3605 -8.3605 -7.2832 -7.2832 -5.7813 -5.7813 -5.3586 -5.3586 -4.2651 -4.2651 0.0174 0.0174 0.4294 0.4294 0.5506 0.5506 1.1116 1.1116 1.3608 1.3608 1.5444 1.5444 1.7022 1.7022 1.7902 1.7902 2.1994 2.1994 2.4115 2.4115 2.5929 2.5929 2.7877 2.7877 2.9005 2.9005 3.1624 3.1624 3.8801 3.8801 4.2101 4.2101 4.4987 4.4987 5.1876 5.1876 5.7116 5.7116 6.1423 6.1423 6.2460 6.2460 k = 0.5561 0.1712 0.0605 ( 14381 PWs) bands (ev): -8.9455 -8.9455 -8.8229 -8.8229 -8.4947 -8.4947 -8.3666 -8.3666 -7.2869 -7.2869 -5.7701 -5.7701 -5.3637 -5.3637 -4.2640 -4.2640 -0.0121 -0.0121 0.4197 0.4197 0.5590 0.5590 1.0961 1.0961 1.3745 1.3745 1.5439 1.5439 1.7128 1.7128 1.8294 1.8294 2.2076 2.2076 2.4093 2.4093 2.5762 2.5762 2.7881 2.7881 2.9092 2.9092 3.1877 3.1877 3.8684 3.8684 4.2245 4.2245 4.4935 4.4935 5.1764 5.1764 5.7054 5.7054 6.1277 6.1277 6.2339 6.2339 k = 0.5481 0.1688 0.0816 ( 14387 PWs) bands (ev): -8.9465 -8.9465 -8.8175 -8.8175 -8.4934 -8.4934 -8.3729 -8.3729 -7.2905 -7.2905 -5.7594 -5.7594 -5.3689 -5.3689 -4.2630 -4.2630 -0.0380 -0.0380 0.4105 0.4105 0.5680 0.5680 1.0809 1.0809 1.3861 1.3861 1.5417 1.5417 1.7210 1.7210 1.8678 1.8678 2.2162 2.2162 2.4087 2.4087 2.5609 2.5609 2.7881 2.7881 2.9179 2.9179 3.2081 3.2081 3.8578 3.8578 4.2394 4.2394 4.4879 4.4879 5.1645 5.1645 5.7003 5.7003 6.1146 6.1146 6.2201 6.2201 k = 0.5401 0.1663 0.1027 ( 14376 PWs) bands (ev): -8.9477 -8.9477 -8.8126 -8.8126 -8.4912 -8.4912 -8.3791 -8.3791 -7.2938 -7.2938 -5.7495 -5.7495 -5.3739 -5.3739 -4.2620 -4.2620 -0.0601 -0.0601 0.4023 0.4023 0.5769 0.5769 1.0668 1.0668 1.3959 1.3959 1.5387 1.5387 1.7272 1.7272 1.9029 1.9029 2.2248 2.2248 2.4104 2.4104 2.5467 2.5467 2.7880 2.7880 2.9260 2.9260 3.2236 3.2236 3.8488 3.8488 4.2542 4.2542 4.4819 4.4819 5.1526 5.1526 5.6963 5.6963 6.1035 6.1035 6.2054 6.2054 k = 0.5321 0.1638 0.1238 ( 14372 PWs) bands (ev): -8.9489 -8.9489 -8.8084 -8.8084 -8.4885 -8.4885 -8.3852 -8.3852 -7.2966 -7.2966 -5.7406 -5.7406 -5.3786 -5.3786 -4.2611 -4.2611 -0.0783 -0.0783 0.3953 0.3953 0.5851 0.5851 1.0542 1.0542 1.4041 1.4041 1.5354 1.5354 1.7317 1.7317 1.9327 1.9327 2.2330 2.2330 2.4145 2.4145 2.5337 2.5337 2.7879 2.7879 2.9329 2.9329 3.2345 3.2345 3.8415 3.8415 4.2684 4.2684 4.4759 4.4759 5.1415 5.1415 5.6932 5.6932 6.0949 6.0949 6.1908 6.1908 k = 0.5241 0.1614 0.1449 ( 14374 PWs) bands (ev): -8.9500 -8.9500 -8.8050 -8.8050 -8.4857 -8.4857 -8.3906 -8.3906 -7.2990 -7.2990 -5.7333 -5.7333 -5.3826 -5.3826 -4.2604 -4.2604 -0.0926 -0.0926 0.3897 0.3897 0.5921 0.5921 1.0437 1.0437 1.4108 1.4108 1.5323 1.5323 1.7349 1.7349 1.9562 1.9562 2.2402 2.2402 2.4207 2.4207 2.5218 2.5218 2.7878 2.7878 2.9384 2.9384 3.2417 3.2417 3.8360 3.8360 4.2810 4.2810 4.4701 4.4701 5.1320 5.1320 5.6908 5.6908 6.0888 6.0888 6.1776 6.1776 k = 0.5160 0.1589 0.1660 ( 14362 PWs) bands (ev): -8.9508 -8.9508 -8.8025 -8.8025 -8.4831 -8.4831 -8.3951 -8.3951 -7.3007 -7.3007 -5.7278 -5.7278 -5.3857 -5.3857 -4.2598 -4.2598 -0.1028 -0.1028 0.3856 0.3856 0.5975 0.5975 1.0357 1.0357 1.4157 1.4157 1.5298 1.5298 1.7369 1.7369 1.9729 1.9729 2.2458 2.2458 2.4281 2.4281 2.5113 2.5113 2.7878 2.7878 2.9424 2.9424 3.2459 3.2459 3.8321 3.8321 4.2912 4.2912 4.4652 4.4652 5.1246 5.1246 5.6892 5.6892 6.0850 6.0850 6.1669 6.1669 k = 0.5080 0.1564 0.1871 ( 14358 PWs) bands (ev): -8.9513 -8.9513 -8.8009 -8.8009 -8.4812 -8.4812 -8.3980 -8.3980 -7.3018 -7.3018 -5.7244 -5.7244 -5.3876 -5.3876 -4.2595 -4.2595 -0.1089 -0.1089 0.3832 0.3832 0.6008 0.6008 1.0308 1.0308 1.4188 1.4188 1.5282 1.5282 1.7380 1.7380 1.9828 1.9828 2.2494 2.2494 2.4345 2.4345 2.5034 2.5034 2.7878 2.7878 2.9447 2.9447 3.2481 3.2481 3.8298 3.8298 4.2979 4.2979 4.4619 4.4619 5.1199 5.1199 5.6882 5.6882 6.0830 6.0830 6.1599 6.1599 k = 0.5000 0.1540 0.2081 ( 14352 PWs) bands (ev): -8.9515 -8.9515 -8.8004 -8.8004 -8.4806 -8.4806 -8.3990 -8.3990 -7.3022 -7.3022 -5.7232 -5.7232 -5.3883 -5.3883 -4.2594 -4.2594 -0.1109 -0.1109 0.3823 0.3823 0.6020 0.6020 1.0291 1.0291 1.4199 1.4199 1.5276 1.5276 1.7383 1.7383 1.9861 1.9861 2.2506 2.2506 2.4372 2.4372 2.5004 2.5004 2.7878 2.7878 2.9455 2.9455 3.2488 3.2488 3.8291 3.8291 4.3002 4.3002 4.4607 4.4607 5.1183 5.1183 5.6879 5.6879 6.0825 6.0825 6.1574 6.1574 k = 0.5000 0.1540 0.2081 ( 14352 PWs) bands (ev): -8.9515 -8.9515 -8.8004 -8.8004 -8.4806 -8.4806 -8.3990 -8.3990 -7.3022 -7.3022 -5.7232 -5.7232 -5.3883 -5.3883 -4.2594 -4.2594 -0.1109 -0.1109 0.3823 0.3823 0.6020 0.6020 1.0291 1.0291 1.4199 1.4199 1.5276 1.5276 1.7383 1.7383 1.9861 1.9861 2.2506 2.2506 2.4372 2.4372 2.5004 2.5004 2.7878 2.7878 2.9455 2.9455 3.2488 3.2488 3.8291 3.8291 4.3002 4.3002 4.4607 4.4607 5.1183 5.1183 5.6879 5.6879 6.0825 6.0825 6.1574 6.1574 k = 0.5069 0.1315 0.2081 ( 14364 PWs) bands (ev): -8.9506 -8.9506 -8.7996 -8.7996 -8.4801 -8.4801 -8.3986 -8.3986 -7.3013 -7.3013 -5.7246 -5.7246 -5.3892 -5.3892 -4.2601 -4.2601 -0.1104 -0.1104 0.3828 0.3828 0.5997 0.5997 1.0269 1.0269 1.4146 1.4146 1.5314 1.5314 1.7366 1.7366 1.9863 1.9863 2.2460 2.2460 2.4239 2.4239 2.5099 2.5099 2.7842 2.7842 2.9429 2.9429 3.2488 3.2488 3.8270 3.8270 4.2782 4.2782 4.4882 4.4882 5.1234 5.1234 5.6930 5.6930 6.0842 6.0842 6.1602 6.1602 k = 0.5138 0.1091 0.2081 ( 14370 PWs) bands (ev): -8.9480 -8.9480 -8.7971 -8.7971 -8.4786 -8.4786 -8.3972 -8.3972 -7.2987 -7.2987 -5.7287 -5.7287 -5.3920 -5.3920 -4.2623 -4.2623 -0.1089 -0.1089 0.3842 0.3842 0.5930 0.5930 1.0203 1.0203 1.4002 1.4002 1.5410 1.5410 1.7314 1.7314 1.9867 1.9867 2.2311 2.2311 2.3978 2.3978 2.5257 2.5257 2.7738 2.7738 2.9354 2.9354 3.2490 3.2490 3.8207 3.8207 4.2348 4.2348 4.5480 4.5480 5.1386 5.1386 5.7084 5.7084 6.0891 6.0891 6.1688 6.1688 k = 0.5207 0.0867 0.2081 ( 14364 PWs) bands (ev): -8.9435 -8.9435 -8.7928 -8.7928 -8.4762 -8.4762 -8.3950 -8.3950 -7.2944 -7.2944 -5.7354 -5.7354 -5.3967 -5.3967 -4.2658 -4.2658 -0.1065 -0.1065 0.3864 0.3864 0.5819 0.5819 1.0100 1.0100 1.3792 1.3792 1.5530 1.5530 1.7231 1.7231 1.9863 1.9863 2.2041 2.2041 2.3721 2.3721 2.5375 2.5375 2.7580 2.7580 2.9237 2.9237 3.2491 3.2491 3.8095 3.8095 4.1893 4.1893 4.6195 4.6195 5.1639 5.1639 5.7337 5.7337 6.0967 6.0967 6.1834 6.1834 k = 0.5276 0.0642 0.2081 ( 14370 PWs) bands (ev): -8.9373 -8.9373 -8.7870 -8.7870 -8.4728 -8.4728 -8.3919 -8.3919 -7.2884 -7.2884 -5.7449 -5.7449 -5.4031 -5.4031 -4.2709 -4.2709 -0.1030 -0.1030 0.3894 0.3894 0.5670 0.5670 0.9966 0.9966 1.3534 1.3534 1.5644 1.5644 1.7124 1.7124 1.9826 1.9826 2.1664 2.1664 2.3508 2.3508 2.5424 2.5424 2.7388 2.7388 2.9089 2.9089 3.2489 3.2489 3.7933 3.7933 4.1471 4.1471 4.6956 4.6956 5.1989 5.1989 5.7683 5.7683 6.1066 6.1066 6.2043 6.2043 k = 0.5345 0.0418 0.2081 ( 14362 PWs) bands (ev): -8.9294 -8.9294 -8.7795 -8.7795 -8.4684 -8.4684 -8.3880 -8.3880 -7.2808 -7.2808 -5.7571 -5.7571 -5.4114 -5.4114 -4.2774 -4.2774 -0.0987 -0.0987 0.3927 0.3927 0.5486 0.5486 0.9808 0.9808 1.3237 1.3237 1.5718 1.5718 1.7013 1.7013 1.9704 1.9704 2.1251 2.1251 2.3334 2.3334 2.5391 2.5391 2.7185 2.7185 2.8921 2.8921 3.2482 3.2482 3.7721 3.7721 4.1092 4.1092 4.7730 4.7730 5.2430 5.2430 5.8114 5.8114 6.1189 6.1189 6.2313 6.2313 k = 0.5414 0.0194 0.2081 ( 14354 PWs) bands (ev): -8.9197 -8.9197 -8.7703 -8.7703 -8.4632 -8.4632 -8.3832 -8.3832 -7.2716 -7.2716 -5.7720 -5.7720 -5.4213 -5.4213 -4.2855 -4.2855 -0.0934 -0.0934 0.3959 0.3959 0.5279 0.5279 0.9633 0.9633 1.2905 1.2905 1.5706 1.5706 1.6927 1.6927 1.9408 1.9408 2.0927 2.0927 2.3178 2.3178 2.5274 2.5274 2.6994 2.6994 2.8742 2.8742 3.2467 3.2467 3.7467 3.7467 4.0749 4.0749 4.8493 4.8493 5.2953 5.2953 5.8617 5.8617 6.1341 6.1341 6.2638 6.2638 k = 0.5483-0.0030 0.2081 ( 14374 PWs) bands (ev): -8.9084 -8.9084 -8.7596 -8.7596 -8.4570 -8.4570 -8.3776 -8.3776 -7.2607 -7.2607 -5.7894 -5.7894 -5.4328 -5.4328 -4.2951 -4.2951 -0.0873 -0.0873 0.3978 0.3978 0.5062 0.5062 0.9444 0.9444 1.2541 1.2541 1.5569 1.5569 1.6891 1.6891 1.8907 1.8907 2.0764 2.0764 2.3021 2.3021 2.5078 2.5078 2.6826 2.6826 2.8560 2.8560 3.2440 3.2440 3.7185 3.7185 4.0434 4.0434 4.9229 4.9229 5.3547 5.3547 5.9176 5.9176 6.1528 6.1528 6.3012 6.3012 k = 0.5553-0.0255 0.2081 ( 14382 PWs) bands (ev): -8.8954 -8.8954 -8.7474 -8.7474 -8.4500 -8.4500 -8.3713 -8.3713 -7.2484 -7.2484 -5.8094 -5.8094 -5.4458 -5.4458 -4.3064 -4.3064 -0.0804 -0.0804 0.3963 0.3963 0.4863 0.4863 0.9245 0.9245 1.2148 1.2148 1.5303 1.5303 1.6875 1.6875 1.8303 1.8303 2.0711 2.0711 2.2856 2.2856 2.4814 2.4814 2.6688 2.6688 2.8378 2.8378 3.2400 3.2400 3.6888 3.6888 4.0135 4.0135 4.9921 4.9921 5.4198 5.4198 5.9764 5.9764 6.1764 6.1764 6.3428 6.3428 k = 0.5622-0.0479 0.2081 ( 14386 PWs) bands (ev): -8.8807 -8.8807 -8.7337 -8.7337 -8.4421 -8.4421 -8.3642 -8.3642 -7.2347 -7.2347 -5.8320 -5.8320 -5.4603 -5.4603 -4.3193 -4.3193 -0.0728 -0.0728 0.3876 0.3876 0.4723 0.4723 0.9034 0.9034 1.1726 1.1726 1.4932 1.4932 1.6751 1.6751 1.7782 1.7782 2.0709 2.0709 2.2680 2.2680 2.4500 2.4500 2.6573 2.6573 2.8200 2.8200 3.2341 3.2341 3.6592 3.6592 3.9845 3.9845 5.0562 5.0562 5.4889 5.4889 6.0344 6.0344 6.2071 6.2071 6.3881 6.3881 k = 0.5691-0.0703 0.2081 ( 14392 PWs) bands (ev): -8.8645 -8.8645 -8.7185 -8.7185 -8.4335 -8.4335 -8.3564 -8.3564 -7.2197 -7.2197 -5.8570 -5.8570 -5.4759 -5.4759 -4.3339 -4.3339 -0.0645 -0.0645 0.3697 0.3697 0.4665 0.4665 0.8812 0.8812 1.1274 1.1274 1.4480 1.4480 1.6321 1.6321 1.7574 1.7574 2.0726 2.0726 2.2489 2.2489 2.4153 2.4153 2.6473 2.6473 2.8028 2.8028 3.2261 3.2261 3.6309 3.6309 3.9559 3.9559 5.1143 5.1143 5.5605 5.5605 6.0866 6.0866 6.2476 6.2476 6.4364 6.4364 k = 0.5760-0.0928 0.2081 ( 14396 PWs) bands (ev): -8.8468 -8.8468 -8.7020 -8.7020 -8.4241 -8.4241 -8.3479 -8.3479 -7.2034 -7.2034 -5.8844 -5.8844 -5.4926 -5.4926 -4.3503 -4.3503 -0.0557 -0.0557 0.3450 0.3450 0.4671 0.4671 0.8575 0.8575 1.0792 1.0792 1.3958 1.3958 1.5711 1.5711 1.7582 1.7582 2.0747 2.0747 2.2275 2.2275 2.3797 2.3797 2.6382 2.6382 2.7865 2.7865 3.2156 3.2156 3.6051 3.6051 3.9273 3.9273 5.1665 5.1665 5.6326 5.6326 6.1296 6.1296 6.2986 6.2986 6.4869 6.4869 k = 0.5829-0.1152 0.2081 ( 14400 PWs) bands (ev): -8.8275 -8.8275 -8.6842 -8.6842 -8.4139 -8.4139 -8.3388 -8.3388 -7.1860 -7.1860 -5.9141 -5.9141 -5.5102 -5.5102 -4.3686 -4.3686 -0.0464 -0.0464 0.3168 0.3168 0.4706 0.4706 0.8319 0.8319 1.0280 1.0280 1.3377 1.3377 1.5102 1.5102 1.7651 1.7651 2.0760 2.0760 2.2023 2.2023 2.3460 2.3460 2.6291 2.6291 2.7716 2.7716 3.2021 3.2021 3.5825 3.5825 3.8987 3.8987 5.2126 5.2126 5.7037 5.7037 6.1641 6.1641 6.3564 6.3564 6.5389 6.5389 k = 0.5898-0.1376 0.2081 ( 14402 PWs) bands (ev): -8.8069 -8.8069 -8.6652 -8.6652 -8.4031 -8.4031 -8.3292 -8.3292 -7.1676 -7.1676 -5.9460 -5.9460 -5.5284 -5.5284 -4.3887 -4.3887 -0.0367 -0.0367 0.2874 0.2874 0.4749 0.4749 0.8035 0.8035 0.9738 0.9738 1.2756 1.2756 1.4560 1.4560 1.7729 1.7729 2.0756 2.0756 2.1714 2.1714 2.3176 2.3176 2.6197 2.6197 2.7584 2.7584 3.1854 3.1854 3.5638 3.5638 3.8700 3.8700 5.2531 5.2531 5.7719 5.7719 6.1929 6.1929 6.4151 6.4151 6.5913 6.5913 k = 0.5967-0.1601 0.2081 ( 14398 PWs) bands (ev): -8.7849 -8.7849 -8.6451 -8.6451 -8.3917 -8.3917 -8.3190 -8.3190 -7.1484 -7.1484 -5.9800 -5.9800 -5.5470 -5.5470 -4.4108 -4.4108 -0.0269 -0.0269 0.2578 0.2578 0.4787 0.4787 0.7713 0.7713 0.9174 0.9174 1.2125 1.2125 1.4104 1.4104 1.7798 1.7798 2.0714 2.0714 2.1355 2.1355 2.2961 2.2961 2.6100 2.6100 2.7471 2.7471 3.1652 3.1652 3.5491 3.5491 3.8414 3.8414 5.2883 5.2883 5.8356 5.8356 6.2184 6.2184 6.4690 6.4690 6.6438 6.6438 k = 0.6036-0.1825 0.2081 ( 14398 PWs) bands (ev): -8.7617 -8.7617 -8.6240 -8.6240 -8.3797 -8.3797 -8.3084 -8.3084 -7.1285 -7.1285 -6.0159 -6.0159 -5.5656 -5.5656 -4.4348 -4.4348 -0.0172 -0.0172 0.2290 0.2290 0.4809 0.4809 0.7334 0.7334 0.8597 0.8597 1.1528 1.1528 1.3729 1.3729 1.7846 1.7846 2.0558 2.0558 2.1033 2.1033 2.2813 2.2813 2.6005 2.6005 2.7375 2.7375 3.1416 3.1416 3.5383 3.5383 3.8130 3.8130 5.3187 5.3187 5.8932 5.8932 6.2419 6.2419 6.5151 6.5151 6.6961 6.6961 k = 0.6105-0.2049 0.2081 ( 14402 PWs) bands (ev): -8.7373 -8.7373 -8.6020 -8.6020 -8.3672 -8.3672 -8.2974 -8.2974 -7.1081 -7.1081 -6.0536 -6.0536 -5.5840 -5.5840 -4.4608 -4.4608 -0.0079 -0.0079 0.2013 0.2013 0.4806 0.4806 0.6885 0.6885 0.8017 0.8017 1.1006 1.1006 1.3424 1.3424 1.7861 1.7861 2.0192 2.0192 2.0872 2.0872 2.2714 2.2714 2.5920 2.5920 2.7293 2.7293 3.1148 3.1148 3.5310 3.5310 3.7850 3.7850 5.3448 5.3448 5.9435 5.9435 6.2639 6.2639 6.5534 6.5534 6.7478 6.7478 k = 0.6174-0.2273 0.2081 ( 14418 PWs) bands (ev): -8.7119 -8.7119 -8.5794 -8.5794 -8.3542 -8.3542 -8.2861 -8.2861 -7.0875 -7.0875 -6.0930 -6.0930 -5.6017 -5.6017 -4.4888 -4.4888 0.0004 0.0004 0.1752 0.1752 0.4771 0.4771 0.6364 0.6364 0.7442 0.7442 1.0594 1.0594 1.3177 1.3177 1.7825 1.7825 1.9738 1.9738 2.0786 2.0786 2.2651 2.2651 2.5851 2.5851 2.7222 2.7222 3.0850 3.0850 3.5266 3.5266 3.7577 3.7577 5.3670 5.3670 5.9860 5.9860 6.2843 6.2843 6.5862 6.5862 6.7971 6.7971 k = 0.6243-0.2498 0.2081 ( 14412 PWs) bands (ev): -8.6855 -8.6855 -8.5562 -8.5562 -8.3409 -8.3409 -8.2746 -8.2746 -7.0669 -7.0669 -6.1339 -6.1339 -5.6184 -5.6184 -4.5189 -4.5189 0.0070 0.0070 0.1512 0.1512 0.4689 0.4689 0.5790 0.5790 0.6874 0.6874 1.0305 1.0305 1.2976 1.2976 1.7705 1.7705 1.9310 1.9310 2.0708 2.0708 2.2613 2.2613 2.5804 2.5804 2.7160 2.7160 3.0529 3.0529 3.5246 3.5246 3.7314 3.7314 5.3860 5.3860 6.0209 6.0209 6.3020 6.3020 6.6165 6.6165 6.8418 6.8418 k = 0.6312-0.2722 0.2081 ( 14406 PWs) bands (ev): -8.6583 -8.6583 -8.5326 -8.5326 -8.3272 -8.3272 -8.2628 -8.2628 -7.0464 -7.0464 -6.1760 -6.1760 -5.6337 -5.6337 -4.5510 -4.5510 0.0106 0.0106 0.1297 0.1297 0.4537 0.4537 0.5200 0.5200 0.6331 0.6331 1.0136 1.0136 1.2810 1.2810 1.7465 1.7465 1.8978 1.8978 2.0623 2.0623 2.2595 2.2595 2.5778 2.5778 2.7104 2.7104 3.0187 3.0187 3.5242 3.5242 3.7064 3.7064 5.4021 5.4021 6.0491 6.0491 6.3158 6.3158 6.6465 6.6465 6.8779 6.8779 k = 0.6381-0.2946 0.2081 ( 14398 PWs) bands (ev): -8.6305 -8.6305 -8.5089 -8.5089 -8.3132 -8.3132 -8.2510 -8.2510 -7.0263 -7.0263 -6.2192 -6.2192 -5.6470 -5.6470 -4.5850 -4.5850 0.0099 0.0099 0.1110 0.1110 0.4251 0.4251 0.4657 0.4657 0.5858 0.5858 1.0067 1.0067 1.2670 1.2670 1.7099 1.7099 1.8764 1.8764 2.0529 2.0529 2.2592 2.2592 2.5769 2.5769 2.7058 2.7058 2.9832 2.9832 3.5249 3.5249 3.6830 3.6830 5.4157 5.4157 6.0718 6.0718 6.3242 6.3242 6.6771 6.6771 6.8974 6.8974 k = 0.6450-0.3171 0.2081 ( 14382 PWs) bands (ev): -8.6021 -8.6021 -8.4852 -8.4852 -8.2991 -8.2991 -8.2391 -8.2391 -7.0068 -7.0068 -6.2632 -6.2632 -5.6580 -5.6580 -4.6210 -4.6210 0.0037 0.0037 0.0946 0.0946 0.3780 0.3780 0.4204 0.4204 0.5510 0.5510 1.0074 1.0074 1.2549 1.2549 1.6653 1.6653 1.8638 1.8638 2.0428 2.0428 2.2602 2.2602 2.5768 2.5768 2.7024 2.7024 2.9471 2.9471 3.5258 3.5258 3.6619 3.6619 5.4273 5.4273 6.0904 6.0904 6.3264 6.3264 6.7081 6.7081 6.8923 6.8923 k = 0.6520-0.3395 0.2081 ( 14384 PWs) bands (ev): -8.5735 -8.5735 -8.4618 -8.4618 -8.2848 -8.2848 -8.2272 -8.2272 -6.9882 -6.9882 -6.3078 -6.3078 -5.6661 -5.6661 -4.6589 -4.6589 -0.0080 -0.0080 0.0783 0.0783 0.3237 0.3237 0.3764 0.3764 0.5300 0.5300 1.0133 1.0133 1.2441 1.2441 1.6181 1.6181 1.8563 1.8563 2.0324 2.0324 2.2619 2.2619 2.5761 2.5761 2.7010 2.7010 2.9113 2.9113 3.5263 3.5263 3.6434 3.6434 5.4372 5.4372 6.1061 6.1061 6.3219 6.3219 6.7385 6.7385 6.8711 6.8711 k = 0.6589-0.3619 0.2081 ( 14392 PWs) bands (ev): -8.5447 -8.5447 -8.4390 -8.4390 -8.2704 -8.2704 -8.2155 -8.2155 -6.9706 -6.9706 -6.3527 -6.3527 -5.6710 -5.6710 -4.6986 -4.6986 -0.0244 -0.0244 0.0587 0.0587 0.2696 0.2696 0.3338 0.3338 0.5199 0.5199 1.0222 1.0222 1.2345 1.2345 1.5721 1.5721 1.8516 1.8516 2.0222 2.0222 2.2640 2.2640 2.5732 2.5732 2.7022 2.7022 2.8769 2.8769 3.5256 3.5256 3.6282 3.6282 5.4457 5.4457 6.1197 6.1197 6.3106 6.3106 6.7659 6.7659 6.8462 6.8462 k = 0.6658-0.3843 0.2081 ( 14388 PWs) bands (ev): -8.5160 -8.5160 -8.4170 -8.4170 -8.2560 -8.2560 -8.2039 -8.2039 -6.9541 -6.9541 -6.3976 -6.3976 -5.6722 -5.6722 -4.7400 -4.7400 -0.0443 -0.0443 0.0332 0.0332 0.2167 0.2167 0.2977 0.2977 0.5177 0.5177 1.0316 1.0316 1.2261 1.2261 1.5300 1.5300 1.8484 1.8484 2.0126 2.0126 2.2660 2.2660 2.5665 2.5665 2.7065 2.7065 2.8452 2.8452 3.5232 3.5232 3.6169 3.6169 5.4530 5.4530 6.1316 6.1316 6.2928 6.2928 6.7818 6.7818 6.8294 6.8294 k = 0.6727-0.4068 0.2081 ( 14396 PWs) bands (ev): -8.4877 -8.4877 -8.3962 -8.3962 -8.2417 -8.2417 -8.1927 -8.1927 -6.9387 -6.9387 -6.4422 -6.4422 -5.6694 -5.6694 -4.7830 -4.7830 -0.0673 -0.0673 0.0019 0.0019 0.1647 0.1647 0.2701 0.2701 0.5220 0.5220 1.0396 1.0396 1.2190 1.2190 1.4942 1.4942 1.8461 1.8461 2.0043 2.0043 2.2673 2.2673 2.5554 2.5554 2.7138 2.7138 2.8175 2.8175 3.5189 3.5189 3.6093 3.6093 5.4593 5.4593 6.1419 6.1419 6.2693 6.2693 6.7703 6.7703 6.8376 6.8376 k = 0.6796-0.4292 0.2081 ( 14402 PWs) bands (ev): -8.4601 -8.4601 -8.3769 -8.3769 -8.2275 -8.2275 -8.1817 -8.1817 -6.9244 -6.9244 -6.4862 -6.4862 -5.6624 -5.6624 -4.8274 -4.8274 -0.0936 -0.0936 -0.0325 -0.0325 0.1141 0.1141 0.2493 0.2493 0.5323 0.5323 1.0442 1.0442 1.2131 1.2131 1.4667 1.4667 1.8439 1.8439 1.9977 1.9977 2.2676 2.2676 2.5397 2.5397 2.7233 2.7233 2.7952 2.7952 3.5133 3.5133 3.6051 3.6051 5.4647 5.4647 6.1495 6.1495 6.2419 6.2419 6.7465 6.7465 6.8551 6.8551 k = 0.6865-0.4516 0.2081 ( 14406 PWs) bands (ev): -8.4334 -8.4334 -8.3594 -8.3594 -8.2136 -8.2136 -8.1712 -8.1712 -6.9111 -6.9111 -6.5292 -6.5292 -5.6509 -5.6509 -4.8731 -4.8731 -0.1234 -0.1234 -0.0670 -0.0670 0.0659 0.0659 0.2323 0.2323 0.5479 0.5479 1.0445 1.0445 1.2079 1.2079 1.4495 1.4495 1.8411 1.8411 1.9934 1.9934 2.2666 2.2666 2.5201 2.5201 2.7335 2.7335 2.7795 2.7795 3.5073 3.5073 3.6031 3.6031 5.4694 5.4694 6.1505 6.1505 6.2153 6.2153 6.7211 6.7211 6.8706 6.8706 k = 0.6934-0.4741 0.2081 ( 14406 PWs) bands (ev): -8.4080 -8.4080 -8.3439 -8.3439 -8.2001 -8.2001 -8.1611 -8.1611 -6.8984 -6.8984 -6.5710 -6.5710 -5.6349 -5.6349 -4.9198 -4.9198 -0.1562 -0.1562 -0.0998 -0.0998 0.0209 0.0209 0.2167 0.2167 0.5683 0.5683 1.0407 1.0407 1.2026 1.2026 1.4434 1.4434 1.8374 1.8374 1.9913 1.9913 2.2641 2.2641 2.4981 2.4981 2.7416 2.7416 2.7724 2.7724 3.5020 3.5020 3.6025 3.6025 5.4736 5.4736 6.1343 6.1343 6.2008 6.2008 6.6961 6.6961 6.8815 6.8815 k = 0.7003-0.4965 0.2081 ( 14400 PWs) bands (ev): -8.3843 -8.3843 -8.3307 -8.3307 -8.1870 -8.1870 -8.1516 -8.1516 -6.8862 -6.8862 -6.6111 -6.6111 -5.6144 -5.6144 -4.9675 -4.9675 -0.1902 -0.1902 -0.1309 -0.1309 -0.0205 -0.0205 0.2010 0.2010 0.5928 0.5928 1.0333 1.0333 1.1974 1.1974 1.4477 1.4477 1.8325 1.8325 1.9914 1.9914 2.2603 2.2603 2.4755 2.4755 2.7444 2.7444 2.7759 2.7759 3.4979 3.4979 3.6026 3.6026 5.4772 5.4772 6.0999 6.0999 6.2002 6.2002 6.6715 6.6715 6.8872 6.8872 k = 0.7072-0.5189 0.2081 ( 14400 PWs) bands (ev): -8.3625 -8.3625 -8.3202 -8.3202 -8.1746 -8.1746 -8.1426 -8.1426 -6.8739 -6.8739 -6.6491 -6.6491 -5.5895 -5.5895 -5.0159 -5.0159 -0.2234 -0.2234 -0.1607 -0.1607 -0.0582 -0.0582 0.1844 0.1844 0.6207 0.6207 1.0234 1.0234 1.1932 1.1932 1.4605 1.4605 1.8266 1.8266 1.9929 1.9929 2.2554 2.2554 2.4542 2.4542 2.7448 2.7448 2.7858 2.7858 3.4957 3.4957 3.6030 3.6030 5.4803 5.4803 6.0571 6.0571 6.2042 6.2042 6.6473 6.6473 6.8878 6.8878 k = 0.7141-0.5414 0.2081 ( 14404 PWs) bands (ev): -8.3432 -8.3432 -8.3124 -8.3124 -8.1630 -8.1630 -8.1343 -8.1343 -6.8613 -6.8613 -6.6847 -6.6847 -5.5604 -5.5604 -5.0647 -5.0647 -0.2544 -0.2544 -0.1893 -0.1893 -0.0925 -0.0925 0.1665 0.1665 0.6511 0.6511 1.0117 1.0117 1.1916 1.1916 1.4791 1.4791 1.8201 1.8201 1.9953 1.9953 2.2494 2.2494 2.4362 2.4362 2.7460 2.7460 2.7973 2.7973 3.4954 3.4954 3.6033 3.6033 5.4829 5.4829 6.0107 6.0107 6.2085 6.2085 6.6235 6.6235 6.8842 6.8842 k = 0.7210-0.5638 0.2081 ( 14406 PWs) bands (ev): -8.3267 -8.3267 -8.3076 -8.3076 -8.1522 -8.1522 -8.1266 -8.1266 -6.8478 -6.8478 -6.7175 -6.7175 -5.5275 -5.5275 -5.1138 -5.1138 -0.2823 -0.2823 -0.2165 -0.2165 -0.1236 -0.1236 0.1472 0.1472 0.6832 0.6832 0.9988 0.9988 1.1937 1.1937 1.5014 1.5014 1.8130 1.8130 1.9984 1.9984 2.2426 2.2426 2.4231 2.4231 2.7488 2.7488 2.8088 2.8088 3.4973 3.4973 3.6037 3.6037 5.4850 5.4850 5.9623 5.9623 6.2120 6.2120 6.5998 6.5998 6.8775 6.8775 k = 0.7279-0.5862 0.2081 ( 14412 PWs) bands (ev): -8.3135 -8.3135 -8.3060 -8.3060 -8.1423 -8.1423 -8.1196 -8.1196 -6.8331 -6.8331 -6.7473 -6.7473 -5.4909 -5.4909 -5.1628 -5.1628 -0.3064 -0.3064 -0.2418 -0.2418 -0.1518 -0.1518 0.1266 0.1266 0.7162 0.7162 0.9850 0.9850 1.2005 1.2005 1.5256 1.5256 1.8055 1.8055 2.0025 2.0025 2.2351 2.2351 2.4161 2.4161 2.7528 2.7528 2.8195 2.8195 3.5014 3.5014 3.6040 3.6040 5.4865 5.4865 5.9132 5.9132 6.2140 6.2140 6.5763 6.5763 6.8691 6.8691 k = 0.7348-0.6086 0.2081 ( 14416 PWs) bands (ev): -8.3079 -8.3079 -8.3034 -8.3034 -8.1335 -8.1335 -8.1134 -8.1134 -6.8169 -6.8169 -6.7737 -6.7737 -5.4510 -5.4510 -5.2115 -5.2115 -0.3266 -0.3266 -0.2646 -0.2646 -0.1773 -0.1773 0.1050 0.1050 0.7490 0.7490 0.9705 0.9705 1.2122 1.2122 1.5507 1.5507 1.7974 1.7974 2.0079 2.0079 2.2276 2.2276 2.4155 2.4155 2.7576 2.7576 2.8291 2.8291 3.5074 3.5074 3.6046 3.6046 5.4870 5.4870 5.8642 5.8642 6.2145 6.2145 6.5529 6.5529 6.8600 6.8600 k = 0.2652-0.8611 0.3768 ( 14416 PWs) bands (ev): -8.3079 -8.3079 -8.3034 -8.3034 -8.1335 -8.1335 -8.1134 -8.1134 -6.8169 -6.8169 -6.7737 -6.7737 -5.4510 -5.4510 -5.2115 -5.2115 -0.3266 -0.3266 -0.2646 -0.2646 -0.1773 -0.1773 0.1050 0.1050 0.7490 0.7490 0.9705 0.9705 1.2122 1.2122 1.5507 1.5507 1.7974 1.7974 2.0079 2.0079 2.2276 2.2276 2.4155 2.4155 2.7576 2.7576 2.8291 2.8291 3.5074 3.5074 3.6046 3.6046 5.4870 5.4870 5.8642 5.8642 6.2145 6.2145 6.5529 6.5529 6.8600 6.8600 k = 0.2582-0.8384 0.3768 ( 14404 PWs) bands (ev): -8.3128 -8.3128 -8.2974 -8.2974 -8.1256 -8.1256 -8.1079 -8.1079 -6.7987 -6.7987 -6.7967 -6.7967 -5.4078 -5.4078 -5.2602 -5.2602 -0.3428 -0.3428 -0.2849 -0.2849 -0.2002 -0.2002 0.0826 0.0826 0.7805 0.7805 0.9558 0.9558 1.2292 1.2292 1.5763 1.5763 1.7887 1.7887 2.0150 2.0150 2.2215 2.2215 2.4207 2.4207 2.7627 2.7627 2.8375 2.8375 3.5155 3.5155 3.6055 3.6055 5.4861 5.4861 5.8156 5.8156 6.2133 6.2133 6.5292 6.5292 6.8510 6.8510 k = 0.2512-0.8158 0.3768 ( 14400 PWs) bands (ev): -8.3212 -8.3212 -8.2953 -8.2953 -8.1187 -8.1187 -8.1033 -8.1033 -6.8163 -6.8163 -6.7783 -6.7783 -5.3619 -5.3619 -5.3080 -5.3080 -0.3550 -0.3550 -0.3019 -0.3019 -0.2197 -0.2197 0.0599 0.0599 0.8078 0.8078 0.9425 0.9425 1.2510 1.2510 1.6015 1.6015 1.7802 1.7802 2.0232 2.0232 2.2191 2.2191 2.4305 2.4305 2.7678 2.7678 2.8446 2.8446 3.5251 3.5251 3.6071 3.6071 5.4831 5.4831 5.7690 5.7690 6.2108 6.2108 6.5056 6.5056 6.8427 6.8427 k = 0.2442-0.7931 0.3768 ( 14406 PWs) bands (ev): -8.3329 -8.3329 -8.2972 -8.2972 -8.1129 -8.1129 -8.0996 -8.0996 -6.8320 -6.8320 -6.7560 -6.7560 -5.3546 -5.3546 -5.3137 -5.3137 -0.3638 -0.3638 -0.3152 -0.3152 -0.2355 -0.2355 0.0374 0.0374 0.8261 0.8261 0.9345 0.9345 1.2772 1.2772 1.6251 1.6251 1.7740 1.7740 2.0313 2.0313 2.2228 2.2228 2.4435 2.4435 2.7725 2.7725 2.8505 2.8505 3.5362 3.5362 3.6097 3.6097 5.4768 5.4768 5.7255 5.7255 6.2072 6.2072 6.4821 6.4821 6.8353 6.8353 k = 0.2372-0.7704 0.3768 ( 14406 PWs) bands (ev): -8.3477 -8.3477 -8.3033 -8.3033 -8.1080 -8.1080 -8.0969 -8.0969 -6.8443 -6.8443 -6.7315 -6.7315 -5.3998 -5.3998 -5.2637 -5.2637 -0.3702 -0.3702 -0.3238 -0.3238 -0.2469 -0.2469 0.0157 0.0157 0.8291 0.8291 0.9375 0.9375 1.3068 1.3068 1.6450 1.6450 1.7730 1.7730 2.0383 2.0383 2.2344 2.2344 2.4584 2.4584 2.7765 2.7765 2.8551 2.8551 3.5484 3.5484 3.6136 3.6136 5.4657 5.4657 5.6867 5.6867 6.2031 6.2031 6.4587 6.4587 6.8289 6.8289 k = 0.2303-0.7478 0.3768 ( 14406 PWs) bands (ev): -8.3655 -8.3655 -8.3132 -8.3132 -8.1042 -8.1042 -8.0952 -8.0952 -6.8534 -6.8534 -6.7051 -6.7051 -5.4431 -5.4431 -5.2121 -5.2121 -0.3757 -0.3757 -0.3263 -0.3263 -0.2536 -0.2536 -0.0047 -0.0047 0.8166 0.8166 0.9512 0.9512 1.3391 1.3391 1.6582 1.6582 1.7812 1.7812 2.0444 2.0444 2.2540 2.2540 2.4741 2.4741 2.7796 2.7796 2.8588 2.8588 3.5614 3.5614 3.6191 3.6191 5.4482 5.4482 5.6541 5.6541 6.1988 6.1988 6.4358 6.4358 6.8232 6.8232 k = 0.2233-0.7251 0.3768 ( 14406 PWs) bands (ev): -8.3860 -8.3860 -8.3269 -8.3269 -8.1012 -8.1012 -8.0944 -8.0944 -6.8596 -6.8596 -6.6769 -6.6769 -5.4843 -5.4843 -5.1593 -5.1593 -0.3812 -0.3812 -0.3219 -0.3219 -0.2552 -0.2552 -0.0233 -0.0233 0.7944 0.7944 0.9692 0.9692 1.3730 1.3730 1.6637 1.6637 1.8002 1.8002 2.0516 2.0516 2.2805 2.2805 2.4899 2.4899 2.7816 2.7816 2.8618 2.8618 3.5748 3.5748 3.6266 3.6266 5.4234 5.4234 5.6283 5.6283 6.1950 6.1950 6.4133 6.4133 6.8180 6.8180 k = 0.2163-0.7025 0.3768 ( 14408 PWs) bands (ev): -8.4088 -8.4088 -8.3441 -8.3441 -8.0992 -8.0992 -8.0946 -8.0946 -6.8636 -6.8636 -6.6470 -6.6470 -5.5230 -5.5230 -5.1056 -5.1056 -0.3863 -0.3863 -0.3109 -0.3109 -0.2516 -0.2516 -0.0397 -0.0397 0.7670 0.7670 0.9871 0.9871 1.4073 1.4073 1.6641 1.6641 1.8274 1.8274 2.0624 2.0624 2.3118 2.3118 2.5053 2.5053 2.7823 2.7823 2.8644 2.8644 3.5883 3.5883 3.6361 3.6361 5.3921 5.3921 5.6086 5.6086 6.1920 6.1920 6.3915 6.3915 6.8130 6.8130 k = 0.2093-0.6798 0.3768 ( 14408 PWs) bands (ev): -8.4338 -8.4338 -8.3643 -8.3643 -8.0980 -8.0980 -8.0958 -8.0958 -6.8658 -6.8658 -6.6158 -6.6158 -5.5588 -5.5588 -5.0513 -5.0513 -0.3899 -0.3899 -0.2943 -0.2943 -0.2431 -0.2431 -0.0531 -0.0531 0.7363 0.7363 1.0027 1.0027 1.4405 1.4405 1.6627 1.6627 1.8592 1.8592 2.0791 2.0791 2.3459 2.3459 2.5201 2.5201 2.7817 2.7817 2.8673 2.8673 3.6016 3.6016 3.6479 3.6479 5.3559 5.3559 5.5931 5.5931 6.1902 6.1902 6.3706 6.3706 6.8078 6.8078 k = 0.2024-0.6571 0.3768 ( 14404 PWs) bands (ev): -8.4605 -8.4605 -8.3872 -8.3872 -8.0981 -8.0981 -8.0975 -8.0975 -6.8670 -6.8670 -6.5835 -6.5835 -5.5916 -5.5916 -4.9968 -4.9968 -0.3912 -0.3912 -0.2732 -0.2732 -0.2294 -0.2294 -0.0632 -0.0632 0.7034 0.7034 1.0153 1.0153 1.4714 1.4714 1.6618 1.6618 1.8934 1.8934 2.1035 2.1035 2.3813 2.3813 2.5344 2.5344 2.7797 2.7797 2.8709 2.8709 3.6144 3.6144 3.6619 3.6619 5.3167 5.3167 5.5799 5.5799 6.1900 6.1900 6.3507 6.3507 6.8021 6.8021 k = 0.1954-0.6345 0.3768 ( 14382 PWs) bands (ev): -8.4886 -8.4886 -8.4124 -8.4124 -8.1009 -8.1009 -8.0980 -8.0980 -6.8677 -6.8677 -6.5503 -6.5503 -5.6210 -5.6210 -4.9422 -4.9422 -0.3895 -0.3895 -0.2488 -0.2488 -0.2102 -0.2102 -0.0690 -0.0690 0.6691 0.6691 1.0247 1.0247 1.4982 1.4982 1.6632 1.6632 1.9288 1.9288 2.1358 2.1358 2.4163 2.4163 2.5485 2.5485 2.7763 2.7763 2.8758 2.8758 3.6266 3.6266 3.6778 3.6778 5.2760 5.2760 5.5676 5.5676 6.1915 6.1915 6.3318 6.3318 6.7957 6.7957 k = 0.1884-0.6118 0.3768 ( 14380 PWs) bands (ev): -8.5179 -8.5179 -8.4396 -8.4396 -8.1046 -8.1046 -8.0993 -8.0993 -6.8685 -6.8685 -6.5166 -6.5166 -5.6467 -5.6467 -4.8879 -4.8879 -0.3844 -0.3844 -0.2235 -0.2235 -0.1847 -0.1847 -0.0697 -0.0697 0.6338 0.6338 1.0311 1.0311 1.5190 1.5190 1.6686 1.6686 1.9651 1.9651 2.1748 2.1748 2.4495 2.4495 2.5633 2.5633 2.7717 2.7717 2.8824 2.8824 3.6381 3.6381 3.6952 3.6952 5.2349 5.2349 5.5551 5.5551 6.1946 6.1946 6.3139 6.3139 6.7882 6.7882 k = 0.1814-0.5892 0.3768 ( 14386 PWs) bands (ev): -8.5480 -8.5480 -8.4682 -8.4682 -8.1091 -8.1091 -8.1012 -8.1012 -6.8700 -6.8700 -6.4827 -6.4827 -5.6686 -5.6686 -4.8342 -4.8342 -0.3755 -0.3755 -0.1994 -0.1994 -0.1521 -0.1521 -0.0642 -0.0642 0.5980 0.5980 1.0346 1.0346 1.5330 1.5330 1.6792 1.6792 2.0024 2.0024 2.2184 2.2184 2.4798 2.4798 2.5797 2.5797 2.7664 2.7664 2.8913 2.8913 3.6487 3.6487 3.7137 3.7137 5.1942 5.1942 5.5423 5.5423 6.1992 6.1992 6.2972 6.2972 6.7797 6.7797 k = 0.1744-0.5665 0.3768 ( 14388 PWs) bands (ev): -8.5786 -8.5786 -8.4980 -8.4980 -8.1142 -8.1142 -8.1039 -8.1039 -6.8726 -6.8726 -6.4487 -6.4487 -5.6866 -5.6866 -4.7812 -4.7812 -0.3625 -0.3625 -0.1773 -0.1773 -0.1131 -0.1131 -0.0511 -0.0511 0.5621 0.5621 1.0358 1.0358 1.5407 1.5407 1.6945 1.6945 2.0407 2.0407 2.2639 2.2639 2.5061 2.5061 2.5990 2.5990 2.7609 2.7609 2.9029 2.9029 3.6584 3.6584 3.7326 3.7326 5.1545 5.1545 5.5289 5.5289 6.2048 6.2048 6.2816 6.2816 6.7698 6.7698 k = 0.1675-0.5438 0.3768 ( 14384 PWs) bands (ev): -8.6096 -8.6096 -8.5285 -8.5285 -8.1200 -8.1200 -8.1071 -8.1071 -6.8767 -6.8767 -6.4149 -6.4149 -5.7007 -5.7007 -4.7292 -4.7292 -0.3453 -0.3453 -0.1572 -0.1572 -0.0691 -0.0691 -0.0295 -0.0295 0.5264 0.5264 1.0350 1.0350 1.5440 1.5440 1.7130 1.7130 2.0793 2.0793 2.3079 2.3079 2.5284 2.5284 2.6221 2.6221 2.7560 2.7560 2.9174 2.9174 3.6669 3.6669 3.7515 3.7515 5.1164 5.1164 5.5152 5.5152 6.2108 6.2108 6.2675 6.2675 6.7587 6.7587 k = 0.1605-0.5212 0.3768 ( 14384 PWs) bands (ev): -8.6407 -8.6407 -8.5595 -8.5595 -8.1263 -8.1263 -8.1109 -8.1109 -6.8824 -6.8824 -6.3816 -6.3816 -5.7109 -5.7109 -4.6785 -4.6785 -0.3237 -0.3237 -0.1384 -0.1384 -0.0221 -0.0221 0.0013 0.0013 0.4915 0.4915 1.0325 1.0325 1.5452 1.5452 1.7330 1.7330 2.1175 2.1175 2.3473 2.3473 2.5472 2.5472 2.6490 2.6490 2.7532 2.7532 2.9349 2.9349 3.6740 3.6740 3.7697 3.7697 5.0804 5.0804 5.5015 5.5015 6.2156 6.2156 6.2559 6.2559 6.7464 6.7464 k = 0.1535-0.4985 0.3768 ( 14386 PWs) bands (ev): -8.6716 -8.6716 -8.5907 -8.5907 -8.1330 -8.1330 -8.1152 -8.1152 -6.8900 -6.8900 -6.3489 -6.3489 -5.7174 -5.7174 -4.6291 -4.6291 -0.2978 -0.2978 -0.1195 -0.1195 0.0239 0.0239 0.0433 0.0433 0.4578 0.4578 1.0286 1.0286 1.5461 1.5461 1.7530 1.7530 2.1544 2.1544 2.3793 2.3793 2.5631 2.5631 2.6787 2.6787 2.7550 2.7550 2.9553 2.9553 3.6794 3.6794 3.7870 3.7870 5.0469 5.0469 5.4882 5.4882 6.2152 6.2152 6.2504 6.2504 6.7328 6.7328 k = 0.1465-0.4759 0.3768 ( 14376 PWs) bands (ev): -8.7022 -8.7022 -8.6218 -8.6218 -8.1401 -8.1401 -8.1199 -8.1199 -6.8994 -6.8994 -6.3171 -6.3171 -5.7204 -5.7204 -4.5814 -4.5814 -0.2675 -0.2675 -0.0994 -0.0994 0.0680 0.0680 0.0953 0.0953 0.4262 0.4262 1.0235 1.0235 1.5481 1.5481 1.7725 1.7725 2.1889 2.1889 2.4024 2.4024 2.5757 2.5757 2.7064 2.7064 2.7668 2.7668 2.9783 2.9783 3.6827 3.6827 3.8032 3.8032 5.0164 5.0164 5.4759 5.4759 6.2071 6.2071 6.2529 6.2529 6.7182 6.7182 k = 0.1396-0.4532 0.3768 ( 14372 PWs) bands (ev): -8.7323 -8.7323 -8.6526 -8.6526 -8.1475 -8.1475 -8.1250 -8.1250 -6.9104 -6.9104 -6.2863 -6.2863 -5.7204 -5.7204 -4.5353 -4.5353 -0.2331 -0.2331 -0.0774 -0.0774 0.1138 0.1138 0.1513 0.1513 0.3980 0.3980 1.0174 1.0174 1.5518 1.5518 1.7910 1.7910 2.2202 2.2202 2.4169 2.4169 2.5843 2.5843 2.7257 2.7257 2.7947 2.7947 3.0039 3.0039 3.6833 3.6833 3.8182 3.8182 4.9893 4.9893 5.4651 5.4651 6.1945 6.1945 6.2600 6.2600 6.7027 6.7027 k = 0.1326-0.4305 0.3768 ( 14368 PWs) bands (ev): -8.7618 -8.7618 -8.6828 -8.6828 -8.1552 -8.1552 -8.1304 -8.1304 -6.9230 -6.9230 -6.2566 -6.2566 -5.7177 -5.7177 -4.4912 -4.4912 -0.1947 -0.1947 -0.0531 -0.0531 0.1622 0.1622 0.2063 0.2063 0.3765 0.3765 1.0105 1.0105 1.5577 1.5577 1.8085 1.8085 2.2477 2.2477 2.4243 2.4243 2.5884 2.5884 2.7397 2.7397 2.8325 2.8325 3.0322 3.0322 3.6806 3.6806 3.8326 3.8326 4.9657 4.9657 5.4564 5.4564 6.1800 6.1800 6.2685 6.2685 6.6865 6.6865 k = 0.1256-0.4079 0.3768 ( 14376 PWs) bands (ev): -8.7904 -8.7904 -8.7124 -8.7124 -8.1630 -8.1630 -8.1360 -8.1360 -6.9368 -6.9368 -6.2283 -6.2283 -5.7126 -5.7126 -4.4491 -4.4491 -0.1529 -0.1529 -0.0264 -0.0264 0.2122 0.2122 0.2513 0.2513 0.3716 0.3716 1.0032 1.0032 1.5658 1.5658 1.8252 1.8252 2.2709 2.2709 2.4260 2.4260 2.5882 2.5882 2.7535 2.7535 2.8708 2.8708 3.0641 3.0641 3.6743 3.6743 3.8468 3.8468 4.9458 4.9458 5.4505 5.4505 6.1645 6.1645 6.2775 6.2775 6.6698 6.6698 k = 0.1186-0.3852 0.3768 ( 14380 PWs) bands (ev): -8.8181 -8.8181 -8.7410 -8.7410 -8.1708 -8.1708 -8.1418 -8.1418 -6.9516 -6.9516 -6.2012 -6.2012 -5.7056 -5.7056 -4.4091 -4.4091 -0.1089 -0.1089 0.0027 0.0027 0.2541 0.2541 0.2794 0.2794 0.3997 0.3997 0.9956 0.9956 1.5762 1.5762 1.8415 1.8415 2.2897 2.2897 2.4234 2.4234 2.5846 2.5846 2.7679 2.7679 2.9036 2.9036 3.1003 3.1003 3.6642 3.6642 3.8616 3.8616 4.9292 4.9292 5.4479 5.4479 6.1482 6.1482 6.2863 6.2863 6.6531 6.6531 k = 0.1116-0.3626 0.3768 ( 14386 PWs) bands (ev): -8.8447 -8.8447 -8.7687 -8.7687 -8.1787 -8.1787 -8.1476 -8.1476 -6.9671 -6.9671 -6.1757 -6.1757 -5.6972 -5.6972 -4.3713 -4.3713 -0.0645 -0.0645 0.0342 0.0342 0.2590 0.2590 0.3272 0.3272 0.4538 0.4538 0.9884 0.9884 1.5885 1.5885 1.8575 1.8575 2.3041 2.3041 2.4175 2.4175 2.5787 2.5787 2.7820 2.7820 2.9277 2.9277 3.1405 3.1405 3.6507 3.6507 3.8775 3.8775 4.9158 4.9158 5.4488 5.4488 6.1313 6.1313 6.2944 6.2944 6.6368 6.6368 k = 0.1047-0.3399 0.3768 ( 14384 PWs) bands (ev): -8.8702 -8.8702 -8.7952 -8.7952 -8.1865 -8.1865 -8.1535 -8.1535 -6.9831 -6.9831 -6.1517 -6.1517 -5.6876 -5.6876 -4.3358 -4.3358 -0.0241 -0.0241 0.0696 0.0696 0.2568 0.2568 0.3827 0.3827 0.5174 0.5174 0.9822 0.9822 1.6023 1.6023 1.8735 1.8735 2.3139 2.3139 2.4092 2.4092 2.5712 2.5712 2.7943 2.7943 2.9423 2.9423 3.1831 3.1831 3.6348 3.6348 3.8948 3.8948 4.9051 4.9051 5.4535 5.4535 6.1141 6.1141 6.3014 6.3014 6.6215 6.6215 k = 0.0977-0.3172 0.3768 ( 14386 PWs) bands (ev): -8.8944 -8.8944 -8.8204 -8.8204 -8.1941 -8.1941 -8.1594 -8.1594 -6.9992 -6.9992 -6.1292 -6.1292 -5.6773 -5.6773 -4.3026 -4.3026 0.0055 0.0055 0.1117 0.1117 0.2621 0.2621 0.4397 0.4397 0.5837 0.5837 0.9777 0.9777 1.6174 1.6174 1.8898 1.8898 2.3191 2.3191 2.3990 2.3990 2.5629 2.5629 2.8034 2.8034 2.9478 2.9478 3.2257 3.2257 3.6180 3.6180 3.9139 3.9139 4.8966 4.8966 5.4619 5.4619 6.0968 6.0968 6.3066 6.3066 6.6080 6.6080 k = 0.0907-0.2946 0.3768 ( 14390 PWs) bands (ev): -8.9172 -8.9172 -8.8442 -8.8442 -8.2015 -8.2015 -8.1651 -8.1651 -7.0152 -7.0152 -6.1084 -6.1084 -5.6666 -5.6666 -4.2717 -4.2717 0.0203 0.0203 0.1622 0.1622 0.2790 0.2790 0.4968 0.4968 0.6499 0.6499 0.9764 0.9764 1.6333 1.6333 1.9062 1.9062 2.3192 2.3192 2.3877 2.3877 2.5542 2.5542 2.8082 2.8082 2.9449 2.9449 3.2660 3.2660 3.6018 3.6018 3.9348 3.9348 4.8897 4.8897 5.4737 5.4737 6.0792 6.0792 6.3098 6.3098 6.5969 6.5969 k = 0.0837-0.2719 0.3768 ( 14406 PWs) bands (ev): -8.9387 -8.9387 -8.8666 -8.8666 -8.2087 -8.2087 -8.1707 -8.1707 -7.0308 -7.0308 -6.0891 -6.0891 -5.6559 -5.6559 -4.2432 -4.2432 0.0225 0.0225 0.2187 0.2187 0.3074 0.3074 0.5528 0.5528 0.7141 0.7141 0.9798 0.9798 1.6501 1.6501 1.9225 1.9225 2.3139 2.3139 2.3758 2.3758 2.5455 2.5455 2.8082 2.8082 2.9348 2.9348 3.3021 3.3021 3.5874 3.5874 3.9576 3.9576 4.8837 4.8837 5.4886 5.4886 6.0613 6.0613 6.3109 6.3109 6.5889 6.5889 k = 0.0768-0.2493 0.3768 ( 14426 PWs) bands (ev): -8.9586 -8.9586 -8.8875 -8.8875 -8.2155 -8.2155 -8.1760 -8.1760 -7.0459 -7.0459 -6.0715 -6.0715 -5.6452 -5.6452 -4.2171 -4.2171 0.0167 0.0167 0.2781 0.2781 0.3447 0.3447 0.6061 0.6061 0.7746 0.7746 0.9904 0.9904 1.6674 1.6674 1.9381 1.9381 2.3026 2.3026 2.3637 2.3637 2.5369 2.5369 2.8032 2.8032 2.9185 2.9185 3.3333 3.3333 3.5759 3.5759 3.9825 3.9825 4.8781 4.8781 5.5061 5.5061 6.0427 6.0427 6.3103 6.3103 6.5840 6.5840 k = 0.0698-0.2266 0.3768 ( 14416 PWs) bands (ev): -8.9770 -8.9770 -8.9067 -8.9067 -8.2219 -8.2219 -8.1811 -8.1811 -7.0602 -7.0602 -6.0555 -6.0555 -5.6349 -5.6349 -4.1933 -4.1933 0.0067 0.0067 0.3377 0.3377 0.3886 0.3886 0.6544 0.6544 0.8304 0.8304 1.0105 1.0105 1.6852 1.6852 1.9525 1.9525 2.2857 2.2857 2.3511 2.3511 2.5284 2.5284 2.7934 2.7934 2.8978 2.8978 3.3592 3.3592 3.5673 3.5673 4.0092 4.0092 4.8720 4.8720 5.5257 5.5257 6.0226 6.0226 6.3091 6.3091 6.5817 6.5817 k = 0.0628-0.2039 0.3768 ( 14410 PWs) bands (ev): -8.9938 -8.9938 -8.9243 -8.9243 -8.2278 -8.2278 -8.1859 -8.1859 -7.0736 -7.0736 -6.0411 -6.0411 -5.6251 -5.6251 -4.1719 -4.1719 -0.0052 -0.0052 0.3946 0.3946 0.4375 0.4375 0.6950 0.6950 0.8829 0.8829 1.0410 1.0410 1.7031 1.7031 1.9647 1.9647 2.2643 2.2643 2.3374 2.3374 2.5198 2.5198 2.7791 2.7791 2.8749 2.8749 3.3803 3.3803 3.5613 3.5613 4.0375 4.0375 4.8649 4.8649 5.5470 5.5470 6.0004 6.0004 6.3086 6.3086 6.5811 6.5811 k = 0.0558-0.1813 0.3768 ( 14406 PWs) bands (ev): -9.0090 -9.0090 -8.9401 -8.9401 -8.2333 -8.2333 -8.1902 -8.1902 -7.0860 -7.0860 -6.0283 -6.0283 -5.6160 -5.6160 -4.1529 -4.1529 -0.0174 -0.0174 0.4468 0.4468 0.4896 0.4896 0.7266 0.7266 0.9355 0.9355 1.0796 1.0796 1.7204 1.7204 1.9736 1.9736 2.2397 2.2397 2.3222 2.3222 2.5109 2.5109 2.7612 2.7612 2.8517 2.8517 3.3972 3.3972 3.5573 3.5573 4.0668 4.0668 4.8563 4.8563 5.5695 5.5695 5.9753 5.9753 6.3101 6.3101 6.5816 6.5816 k = 0.0488-0.1586 0.3768 ( 14416 PWs) bands (ev): -9.0224 -9.0224 -8.9542 -8.9542 -8.2382 -8.2382 -8.1942 -8.1942 -7.0971 -7.0971 -6.0171 -6.0171 -5.6078 -5.6078 -4.1361 -4.1361 -0.0291 -0.0291 0.4941 0.4941 0.5415 0.5415 0.7501 0.7501 0.9910 0.9910 1.1226 1.1226 1.7357 1.7357 1.9781 1.9781 2.2141 2.2141 2.3054 2.3054 2.5016 2.5016 2.7409 2.7409 2.8298 2.8298 3.4108 3.4108 3.5546 3.5546 4.0966 4.0966 4.8459 4.8459 5.5928 5.5928 5.9473 5.9473 6.3141 6.3141 6.5827 6.5827 k = 0.0419-0.1360 0.3768 ( 14412 PWs) bands (ev): -9.0342 -9.0342 -8.9665 -8.9665 -8.2426 -8.2426 -8.1977 -8.1977 -7.1070 -7.1070 -6.0075 -6.0075 -5.6005 -5.6005 -4.1217 -4.1217 -0.0399 -0.0399 0.5369 0.5369 0.5887 0.5887 0.7690 0.7690 1.0498 1.0498 1.1665 1.1665 1.7462 1.7462 1.9775 1.9775 2.1902 2.1902 2.2877 2.2877 2.4922 2.4922 2.7203 2.7203 2.8094 2.8094 3.4218 3.4218 3.5530 3.5530 4.1258 4.1258 4.8340 4.8340 5.6163 5.6163 5.9171 5.9171 6.3200 6.3200 6.5849 6.5849 k = 0.0349-0.1133 0.3768 ( 14396 PWs) bands (ev): -9.0441 -9.0441 -8.9770 -8.9770 -8.2463 -8.2463 -8.2007 -8.2007 -7.1155 -7.1155 -5.9994 -5.9994 -5.5941 -5.5941 -4.1095 -4.1095 -0.0494 -0.0494 0.5751 0.5751 0.6276 0.6276 0.7866 0.7866 1.1104 1.1104 1.2096 1.2096 1.7486 1.7486 1.9716 1.9716 2.1708 2.1708 2.2700 2.2700 2.4832 2.4832 2.7011 2.7011 2.7906 2.7906 3.4305 3.4305 3.5523 3.5523 4.1537 4.1537 4.8210 4.8210 5.6394 5.6394 5.8857 5.8857 6.3270 6.3270 6.5893 6.5893 k = 0.0279-0.0906 0.3768 ( 14406 PWs) bands (ev): -9.0523 -9.0523 -8.9856 -8.9856 -8.2494 -8.2494 -8.2033 -8.2033 -7.1225 -7.1225 -5.9927 -5.9927 -5.5889 -5.5889 -4.0996 -4.0996 -0.0574 -0.0574 0.6078 0.6078 0.6561 0.6561 0.8050 0.8050 1.1697 1.1697 1.2517 1.2517 1.7394 1.7394 1.9618 1.9618 2.1583 2.1583 2.2536 2.2536 2.4754 2.4754 2.6846 2.6846 2.7734 2.7734 3.4372 3.4372 3.5524 3.5524 4.1791 4.1791 4.8077 4.8077 5.6616 5.6616 5.8549 5.8549 6.3334 6.3334 6.5969 6.5969 k = 0.0209-0.0680 0.3768 ( 14422 PWs) bands (ev): -9.0587 -9.0587 -8.9923 -8.9923 -8.2518 -8.2518 -8.2052 -8.2052 -7.1281 -7.1281 -5.9876 -5.9876 -5.5847 -5.5847 -4.0920 -4.0920 -0.0637 -0.0637 0.6345 0.6345 0.6743 0.6743 0.8236 0.8236 1.2224 1.2224 1.2942 1.2942 1.7177 1.7177 1.9504 1.9504 2.1531 2.1531 2.2395 2.2395 2.4693 2.4693 2.6715 2.6715 2.7580 2.7580 3.4422 3.4422 3.5532 3.5532 4.2008 4.2008 4.7952 4.7952 5.6821 5.6821 5.8262 5.8262 6.3383 6.3383 6.6081 6.6081 k = 0.0140-0.0453 0.3768 ( 14418 PWs) bands (ev): -9.0633 -9.0633 -8.9971 -8.9971 -8.2536 -8.2536 -8.2067 -8.2067 -7.1321 -7.1321 -5.9840 -5.9840 -5.5817 -5.5817 -4.0865 -4.0865 -0.0683 -0.0683 0.6544 0.6544 0.6846 0.6846 0.8397 0.8397 1.2616 1.2616 1.3381 1.3381 1.6871 1.6871 1.9395 1.9395 2.1537 2.1537 2.2282 2.2282 2.4653 2.4653 2.6620 2.6620 2.7456 2.7456 3.4455 3.4455 3.5542 3.5542 4.2177 4.2177 4.7849 4.7849 5.7005 5.7005 5.8013 5.8013 6.3414 6.3414 6.6216 6.6216 k = 0.0070-0.0227 0.3768 ( 14422 PWs) bands (ev): -9.0661 -9.0661 -8.9999 -8.9999 -8.2546 -8.2546 -8.2075 -8.2075 -7.1345 -7.1345 -5.9818 -5.9818 -5.5800 -5.5800 -4.0832 -4.0832 -0.0711 -0.0711 0.6670 0.6670 0.6894 0.6894 0.8506 0.8506 1.2846 1.2846 1.3764 1.3764 1.6574 1.6574 1.9316 1.9316 2.1567 2.1567 2.2204 2.2204 2.4630 2.4630 2.6562 2.6562 2.7375 2.7375 3.4473 3.4473 3.5551 3.5551 4.2284 4.2284 4.7781 4.7781 5.7153 5.7153 5.7822 5.7822 6.3430 6.3430 6.6337 6.6337 k = 0.0000 0.0000 0.3768 ( 14434 PWs) bands (ev): -9.0670 -9.0670 -9.0009 -9.0009 -8.2550 -8.2550 -8.2078 -8.2078 -7.1353 -7.1353 -5.9811 -5.9811 -5.5794 -5.5794 -4.0821 -4.0821 -0.0720 -0.0720 0.6713 0.6713 0.6907 0.6907 0.8543 0.8543 1.2920 1.2920 1.3928 1.3928 1.6441 1.6441 1.9287 1.9287 2.1584 2.1584 2.2175 2.2175 2.4624 2.4624 2.6542 2.6542 2.7346 2.7346 3.4479 3.4479 3.5554 3.5554 4.2321 4.2321 4.7757 4.7757 5.7220 5.7220 5.7741 5.7741 6.3434 6.3434 6.6389 6.6389 k = 0.0000 0.0000 0.3768 ( 14434 PWs) bands (ev): -9.0670 -9.0670 -9.0009 -9.0009 -8.2550 -8.2550 -8.2078 -8.2078 -7.1353 -7.1353 -5.9811 -5.9811 -5.5794 -5.5794 -4.0821 -4.0821 -0.0720 -0.0720 0.6713 0.6713 0.6907 0.6907 0.8543 0.8543 1.2920 1.2920 1.3928 1.3928 1.6441 1.6441 1.9287 1.9287 2.1584 2.1584 2.2175 2.2175 2.4624 2.4624 2.6542 2.6542 2.7346 2.7346 3.4479 3.4479 3.5554 3.5554 4.2321 4.2321 4.7757 4.7757 5.7220 5.7220 5.7741 5.7741 6.3434 6.3434 6.6389 6.6389 k = 0.0218 0.0067 0.3768 ( 14428 PWs) bands (ev): -9.0665 -9.0665 -9.0003 -9.0003 -8.2562 -8.2562 -8.2082 -8.2082 -7.1361 -7.1361 -5.9797 -5.9797 -5.5787 -5.5787 -4.0828 -4.0828 -0.0717 -0.0717 0.6558 0.6558 0.7044 0.7044 0.8557 0.8557 1.2882 1.2882 1.3991 1.3991 1.6435 1.6435 1.9259 1.9259 2.1489 2.1489 2.2334 2.2334 2.4620 2.4620 2.6523 2.6523 2.7358 2.7358 3.4375 3.4375 3.5659 3.5659 4.2310 4.2310 4.7756 4.7756 5.7080 5.7080 5.7868 5.7868 6.3421 6.3421 6.6344 6.6344 k = 0.0436 0.0134 0.3768 ( 14433 PWs) bands (ev): -9.0650 -9.0650 -8.9986 -8.9986 -8.2596 -8.2596 -8.2096 -8.2096 -7.1387 -7.1387 -5.9757 -5.9757 -5.5766 -5.5766 -4.0850 -4.0850 -0.0708 -0.0708 0.6326 0.6326 0.7219 0.7219 0.8594 0.8594 1.2799 1.2799 1.4149 1.4149 1.6419 1.6419 1.9173 1.9173 2.1346 2.1346 2.2663 2.2663 2.4609 2.4609 2.6467 2.6467 2.7393 2.7393 3.4134 3.4134 3.5901 3.5901 4.2279 4.2279 4.7754 4.7754 5.6808 5.6808 5.8100 5.8100 6.3382 6.3382 6.6216 6.6216 k = 0.0654 0.0201 0.3768 ( 14433 PWs) bands (ev): -9.0625 -9.0625 -8.9956 -8.9956 -8.2653 -8.2653 -8.2118 -8.2118 -7.1428 -7.1428 -5.9691 -5.9691 -5.5731 -5.5731 -4.0885 -4.0885 -0.0692 -0.0692 0.6085 0.6085 0.7363 0.7363 0.8653 0.8653 1.2723 1.2723 1.4346 1.4346 1.6402 1.6402 1.9034 1.9034 2.1255 2.1255 2.3055 2.3055 2.4595 2.4595 2.6379 2.6379 2.7446 2.7446 3.3842 3.3842 3.6194 3.6194 4.2230 4.2230 4.7747 4.7747 5.6497 5.6497 5.8345 5.8345 6.3317 6.3317 6.6022 6.6022 k = 0.0872 0.0268 0.3768 ( 14440 PWs) bands (ev): -9.0590 -9.0590 -8.9916 -8.9916 -8.2730 -8.2730 -8.2151 -8.2151 -7.1484 -7.1484 -5.9603 -5.9603 -5.5681 -5.5681 -4.0935 -4.0935 -0.0671 -0.0671 0.5849 0.5849 0.7459 0.7459 0.8732 0.8732 1.2687 1.2687 1.4544 1.4544 1.6399 1.6399 1.8855 1.8855 2.1225 2.1225 2.3478 2.3478 2.4583 2.4583 2.6265 2.6265 2.7515 2.7515 3.3533 3.3533 3.6502 3.6502 4.2166 4.2166 4.7732 4.7732 5.6167 5.6167 5.8587 5.8587 6.3224 6.3224 6.5778 6.5778 k = 0.1090 0.0336 0.3768 ( 14431 PWs) bands (ev): -9.0545 -9.0545 -8.9864 -8.9864 -8.2826 -8.2826 -8.2194 -8.2194 -7.1553 -7.1553 -5.9494 -5.9494 -5.5618 -5.5618 -4.0998 -4.0998 -0.0644 -0.0644 0.5625 0.5625 0.7492 0.7492 0.8834 0.8834 1.2705 1.2705 1.4715 1.4715 1.6422 1.6422 1.8656 1.8656 2.1238 2.1238 2.3915 2.3915 2.4578 2.4578 2.6131 2.6131 2.7596 2.7596 3.3220 3.3220 3.6810 3.6810 4.2094 4.2094 4.7705 4.7705 5.5825 5.5825 5.8818 5.8818 6.3104 6.3104 6.5501 6.5501 k = 0.1308 0.0403 0.3768 ( 14426 PWs) bands (ev): -9.0492 -9.0492 -8.9802 -8.9802 -8.2939 -8.2939 -8.2247 -8.2247 -7.1633 -7.1633 -5.9370 -5.9370 -5.5540 -5.5540 -4.1073 -4.1073 -0.0613 -0.0613 0.5419 0.5419 0.7453 0.7453 0.8966 0.8966 1.2775 1.2775 1.4844 1.4844 1.6481 1.6481 1.8462 1.8462 2.1274 2.1274 2.4353 2.4353 2.4590 2.4590 2.5986 2.5986 2.7686 2.7686 3.2911 3.2911 3.7108 3.7108 4.2019 4.2019 4.7660 4.7660 5.5475 5.5475 5.9038 5.9038 6.2953 6.2953 6.5203 6.5203 k = 0.1526 0.0470 0.3768 ( 14420 PWs) bands (ev): -9.0430 -9.0430 -8.9729 -8.9729 -8.3066 -8.3066 -8.2312 -8.2312 -7.1721 -7.1721 -5.9234 -5.9234 -5.5447 -5.5447 -4.1160 -4.1160 -0.0578 -0.0578 0.5235 0.5235 0.7344 0.7344 0.9129 0.9129 1.2885 1.2885 1.4933 1.4933 1.6566 1.6566 1.8298 1.8298 2.1309 2.1309 2.4614 2.4614 2.4780 2.4780 2.5847 2.5847 2.7784 2.7784 3.2608 3.2608 3.7389 3.7389 4.1948 4.1948 4.7593 4.7593 5.5121 5.5121 5.9241 5.9241 6.2772 6.2772 6.4895 6.4895 k = 0.1743 0.0537 0.3768 ( 14411 PWs) bands (ev): -9.0360 -9.0360 -8.9646 -8.9646 -8.3207 -8.3207 -8.2386 -8.2386 -7.1815 -7.1815 -5.9090 -5.9090 -5.5340 -5.5340 -4.1258 -4.1258 -0.0539 -0.0539 0.5080 0.5080 0.7177 0.7177 0.9318 0.9318 1.3017 1.3017 1.4994 1.4994 1.6654 1.6654 1.8189 1.8189 2.1329 2.1329 2.4670 2.4670 2.5131 2.5131 2.5770 2.5770 2.7888 2.7888 3.2318 3.2318 3.7648 3.7648 4.1889 4.1889 4.7498 4.7498 5.4768 5.4768 5.9421 5.9421 6.2558 6.2558 6.4589 6.4589 k = 0.1961 0.0604 0.3768 ( 14403 PWs) bands (ev): -9.0283 -9.0283 -8.9555 -8.9555 -8.3359 -8.3359 -8.2470 -8.2470 -7.1913 -7.1913 -5.8942 -5.8942 -5.5218 -5.5218 -4.1365 -4.1365 -0.0497 -0.0497 0.4954 0.4954 0.6965 0.6965 0.9524 0.9524 1.3151 1.3151 1.5047 1.5047 1.6718 1.6718 1.8155 1.8155 2.1324 2.1324 2.4734 2.4734 2.5279 2.5279 2.5900 2.5900 2.7997 2.7997 3.2044 3.2044 3.7878 3.7878 4.1847 4.1847 4.7372 4.7372 5.4421 5.4421 5.9571 5.9571 6.2318 6.2318 6.4292 6.4292 k = 0.2179 0.0671 0.3768 ( 14396 PWs) bands (ev): -9.0200 -9.0200 -8.9455 -8.9455 -8.3521 -8.3521 -8.2562 -8.2562 -7.2014 -7.2014 -5.8794 -5.8794 -5.5084 -5.5084 -4.1481 -4.1481 -0.0454 -0.0454 0.4861 0.4861 0.6722 0.6722 0.9740 0.9740 1.3268 1.3268 1.5104 1.5104 1.6748 1.6748 1.8197 1.8197 2.1291 2.1291 2.4769 2.4769 2.5289 2.5289 2.6208 2.6208 2.8109 2.8109 3.1792 3.1792 3.8075 3.8075 4.1829 4.1829 4.7213 4.7213 5.4085 5.4085 5.9672 5.9672 6.2064 6.2064 6.4010 6.4010 k = 0.2397 0.0738 0.3768 ( 14401 PWs) bands (ev): -9.0112 -9.0112 -8.9348 -8.9348 -8.3688 -8.3688 -8.2661 -8.2661 -7.2115 -7.2115 -5.8650 -5.8650 -5.4939 -5.4939 -4.1603 -4.1603 -0.0408 -0.0408 0.4802 0.4802 0.6461 0.6461 0.9957 0.9957 1.3360 1.3360 1.5168 1.5168 1.6758 1.6758 1.8296 1.8296 2.1236 2.1236 2.4725 2.4725 2.5360 2.5360 2.6532 2.6532 2.8223 2.8223 3.1570 3.1570 3.8235 3.8235 4.1840 4.1840 4.7019 4.7019 5.3764 5.3764 5.9703 5.9703 6.1823 6.1823 6.3745 6.3745 k = 0.2615 0.0805 0.3768 ( 14395 PWs) bands (ev): -9.0020 -9.0020 -8.9235 -8.9235 -8.3860 -8.3860 -8.2766 -8.2766 -7.2214 -7.2214 -5.8511 -5.8511 -5.4783 -5.4783 -4.1731 -4.1731 -0.0361 -0.0361 0.4776 0.4776 0.6189 0.6189 1.0168 1.0168 1.3423 1.3423 1.5234 1.5234 1.6770 1.6770 1.8418 1.8418 2.1170 2.1170 2.4623 2.4623 2.5512 2.5512 2.6820 2.6820 2.8337 2.8337 3.1388 3.1388 3.8360 3.8360 4.1880 4.1880 4.6793 4.6793 5.3463 5.3463 5.9635 5.9635 6.1628 6.1628 6.3497 6.3497 k = 0.2833 0.0872 0.3768 ( 14383 PWs) bands (ev): -8.9926 -8.9926 -8.9116 -8.9116 -8.4033 -8.4033 -8.2875 -8.2875 -7.2311 -7.2311 -5.8382 -5.8382 -5.4621 -5.4621 -4.1861 -4.1861 -0.0313 -0.0313 0.4782 0.4782 0.5916 0.5916 1.0365 1.0365 1.3463 1.3463 1.5294 1.5294 1.6801 1.6801 1.8530 1.8530 2.1112 2.1112 2.4506 2.4506 2.5704 2.5704 2.7050 2.7050 2.8449 2.8449 3.1257 3.1257 3.8452 3.8452 4.1944 4.1944 4.6540 4.6540 5.3183 5.3183 5.9451 5.9451 6.1504 6.1504 6.3268 6.3268 k = 0.3051 0.0940 0.3768 ( 14381 PWs) bands (ev): -8.9833 -8.9833 -8.8994 -8.8994 -8.4204 -8.4204 -8.2986 -8.2986 -7.2404 -7.2404 -5.8262 -5.8262 -5.4455 -5.4455 -4.1992 -4.1992 -0.0261 -0.0261 0.4818 0.4818 0.5647 0.5647 1.0545 1.0545 1.3487 1.3487 1.5343 1.5343 1.6851 1.6851 1.8606 1.8606 2.1083 2.1083 2.4397 2.4397 2.5904 2.5904 2.7218 2.7218 2.8556 2.8556 3.1185 3.1185 3.8519 3.8519 4.2025 4.2025 4.6266 4.6266 5.2927 5.2927 5.9167 5.9167 6.1448 6.1448 6.3060 6.3060 k = 0.3269 0.1007 0.3768 ( 14380 PWs) bands (ev): -8.9743 -8.9743 -8.8870 -8.8870 -8.4369 -8.4369 -8.3099 -8.3099 -7.2493 -7.2493 -5.8155 -5.8155 -5.4288 -5.4288 -4.2121 -4.2121 -0.0205 -0.0205 0.4876 0.4876 0.5391 0.5391 1.0702 1.0702 1.3501 1.3501 1.5383 1.5383 1.6912 1.6912 1.8624 1.8624 2.1106 2.1106 2.4304 2.4304 2.6085 2.6085 2.7333 2.7333 2.8653 2.8653 3.1172 3.1172 3.8569 3.8569 4.2110 4.2110 4.5984 4.5984 5.2695 5.2695 5.8817 5.8817 6.1435 6.1435 6.2877 6.2877 k = 0.3487 0.1074 0.3768 ( 14384 PWs) bands (ev): -8.9658 -8.9658 -8.8746 -8.8746 -8.4523 -8.4523 -8.3211 -8.3211 -7.2575 -7.2575 -5.8059 -5.8059 -5.4125 -5.4125 -4.2246 -4.2246 -0.0144 -0.0144 0.4932 0.4932 0.5175 0.5175 1.0834 1.0834 1.3511 1.3511 1.5416 1.5416 1.6970 1.6970 1.8572 1.8572 2.1194 2.1194 2.4231 2.4231 2.6215 2.6215 2.7421 2.7421 2.8739 2.8739 3.1212 3.1212 3.8612 3.8612 4.2183 4.2183 4.5708 4.5708 5.2488 5.2488 5.8438 5.8438 6.1441 6.1441 6.2722 6.2722 k = 0.3705 0.1141 0.3768 ( 14364 PWs) bands (ev): -8.9582 -8.9582 -8.8623 -8.8623 -8.4663 -8.4663 -8.3319 -8.3319 -7.2651 -7.2651 -5.7977 -5.7977 -5.3969 -5.3969 -4.2365 -4.2365 -0.0077 -0.0077 0.4841 0.4841 0.5140 0.5140 1.0942 1.0942 1.3522 1.3522 1.5443 1.5443 1.7015 1.7015 1.8456 1.8456 2.1344 2.1344 2.4178 2.4178 2.6263 2.6263 2.7516 2.7516 2.8814 2.8814 3.1290 3.1290 3.8656 3.8656 4.2226 4.2226 4.5457 4.5457 5.2304 5.2304 5.8059 5.8059 6.1449 6.1449 6.2601 6.2601 k = 0.3923 0.1208 0.3768 ( 14368 PWs) bands (ev): -8.9520 -8.9520 -8.8504 -8.8504 -8.4784 -8.4784 -8.3423 -8.3423 -7.2720 -7.2720 -5.7908 -5.7908 -5.3825 -5.3825 -4.2473 -4.2473 -0.0002 -0.0002 0.4647 0.4647 0.5243 0.5243 1.1024 1.1024 1.3540 1.3540 1.5461 1.5461 1.7040 1.7040 1.8292 1.8292 2.1541 2.1541 2.4143 2.4143 2.6216 2.6216 2.7637 2.7637 2.8880 2.8880 3.1392 3.1392 3.8704 3.8704 4.2227 4.2227 4.5248 4.5248 5.2141 5.2141 5.7700 5.7700 6.1450 6.1450 6.2517 6.2517 k = 0.4141 0.1275 0.3768 ( 14381 PWs) bands (ev): -8.9474 -8.9474 -8.8390 -8.8390 -8.4882 -8.4882 -8.3519 -8.3519 -7.2780 -7.2780 -5.7854 -5.7854 -5.3696 -5.3696 -4.2570 -4.2570 0.0082 0.0082 0.4459 0.4459 0.5370 0.5370 1.1081 1.1081 1.3567 1.3567 1.5464 1.5464 1.7043 1.7043 1.8100 1.8100 2.1765 2.1765 2.4124 2.4124 2.6095 2.6095 2.7767 2.7767 2.8941 2.8941 3.1505 3.1505 3.8755 3.8755 4.2181 4.2181 4.5092 4.5092 5.1999 5.1999 5.7381 5.7381 6.1440 6.1440 6.2472 6.2472 k = 0.4359 0.1342 0.3768 ( 14384 PWs) bands (ev): -8.9449 -8.9449 -8.8283 -8.8283 -8.4951 -8.4951 -8.3605 -8.3605 -7.2832 -7.2832 -5.7813 -5.7813 -5.3586 -5.3586 -4.2651 -4.2651 0.0174 0.0174 0.4294 0.4294 0.5506 0.5506 1.1116 1.1116 1.3608 1.3608 1.5444 1.5444 1.7022 1.7022 1.7902 1.7902 2.1994 2.1994 2.4115 2.4115 2.5929 2.5929 2.7877 2.7877 2.9005 2.9005 3.1624 3.1624 3.8801 3.8801 4.2101 4.2101 4.4987 4.4987 5.1876 5.1876 5.7116 5.7116 6.1423 6.1423 6.2460 6.2460 k = 0.5000 0.1540-0.1687 ( 14400 PWs) bands (ev): -8.9508 -8.9508 -8.8088 -8.8088 -8.5096 -8.5096 -8.3592 -8.3592 -7.2798 -7.2798 -5.8400 -5.8400 -5.2853 -5.2853 -4.3058 -4.3058 0.4067 0.4067 0.4118 0.4118 0.6964 0.6964 0.8794 0.8794 1.3242 1.3242 1.3600 1.3600 1.6272 1.6272 1.6450 1.6450 2.3064 2.3064 2.3717 2.3717 2.7134 2.7134 2.8043 2.8043 2.8297 2.8297 3.0060 3.0060 3.9195 3.9195 4.1080 4.1080 4.4959 4.4959 5.1914 5.1914 5.6693 5.6693 6.2345 6.2345 6.2699 6.2699 k = 0.5070 0.1313-0.1687 ( 14388 PWs) bands (ev): -8.9499 -8.9499 -8.8079 -8.8079 -8.5091 -8.5091 -8.3588 -8.3588 -7.2788 -7.2788 -5.8414 -5.8414 -5.2863 -5.2863 -4.3066 -4.3066 0.4034 0.4034 0.4153 0.4153 0.6960 0.6960 0.8790 0.8790 1.3033 1.3033 1.3755 1.3755 1.5956 1.5956 1.6773 1.6773 2.2944 2.2944 2.3763 2.3763 2.7114 2.7114 2.8023 2.8023 2.8279 2.8279 3.0024 3.0024 3.9132 3.9132 4.1048 4.1048 4.5106 4.5106 5.1954 5.1954 5.6755 5.6755 6.2270 6.2270 6.2826 6.2826 k = 0.5140 0.1085-0.1687 ( 14388 PWs) bands (ev): -8.9471 -8.9471 -8.8054 -8.8054 -8.5076 -8.5076 -8.3574 -8.3574 -7.2759 -7.2759 -5.8454 -5.8454 -5.2894 -5.2894 -4.3088 -4.3088 0.3984 0.3984 0.4205 0.4205 0.6949 0.6949 0.8778 0.8778 1.2681 1.2681 1.3920 1.3920 1.5623 1.5623 1.7151 1.7151 2.2644 2.2644 2.3839 2.3839 2.7053 2.7053 2.7951 2.7951 2.8242 2.8242 2.9920 2.9920 3.8960 3.8960 4.0957 4.0957 4.5516 4.5516 5.2072 5.2072 5.6939 5.6939 6.2167 6.2167 6.3086 6.3086 k = 0.5210 0.0858-0.1687 ( 14388 PWs) bands (ev): -8.9425 -8.9425 -8.8012 -8.8012 -8.5052 -8.5052 -8.3551 -8.3551 -7.2711 -7.2711 -5.8522 -5.8522 -5.2947 -5.2947 -4.3125 -4.3125 0.3930 0.3930 0.4260 0.4260 0.6933 0.6933 0.8758 0.8758 1.2294 1.2294 1.3908 1.3908 1.5441 1.5441 1.7496 1.7496 2.2227 2.2227 2.3886 2.3886 2.6941 2.6941 2.7821 2.7821 2.8205 2.8205 2.9765 2.9765 3.8716 3.8716 4.0822 4.0822 4.6123 4.6123 5.2268 5.2268 5.7237 5.7237 6.2106 6.2106 6.3405 6.3405 k = 0.5280 0.0631-0.1687 ( 14388 PWs) bands (ev): -8.9360 -8.9360 -8.7953 -8.7953 -8.5018 -8.5018 -8.3520 -8.3520 -7.2645 -7.2645 -5.8616 -5.8616 -5.3019 -5.3019 -4.3177 -4.3177 0.3869 0.3869 0.4315 0.4315 0.6916 0.6916 0.8732 0.8732 1.1888 1.1888 1.3664 1.3664 1.5461 1.5461 1.7793 1.7793 2.1712 2.1712 2.3893 2.3893 2.6768 2.6768 2.7653 2.7653 2.8167 2.8167 2.9584 2.9584 3.8435 3.8435 4.0652 4.0652 4.6858 4.6858 5.2538 5.2538 5.7640 5.7640 6.2103 6.2103 6.3762 6.3762 k = 0.5350 0.0404-0.1687 ( 14380 PWs) bands (ev): -8.9276 -8.9276 -8.7878 -8.7878 -8.4974 -8.4974 -8.3480 -8.3480 -7.2560 -7.2560 -5.8737 -5.8737 -5.3112 -5.3112 -4.3245 -4.3245 0.3799 0.3799 0.4367 0.4367 0.6902 0.6902 0.8700 0.8700 1.1472 1.1472 1.3263 1.3263 1.5607 1.5607 1.8035 1.8035 2.1109 2.1109 2.3863 2.3863 2.6526 2.6526 2.7469 2.7469 2.8114 2.8114 2.9406 2.9406 3.8137 3.8137 4.0454 4.0454 4.7668 4.7668 5.2877 5.2877 5.8134 5.8134 6.2164 6.2164 6.4144 6.4144 k = 0.5420 0.0177-0.1687 ( 14382 PWs) bands (ev): -8.9175 -8.9175 -8.7787 -8.7787 -8.4922 -8.4922 -8.3432 -8.3432 -7.2456 -7.2456 -5.8884 -5.8884 -5.3224 -5.3224 -4.3328 -4.3328 0.3714 0.3714 0.4412 0.4412 0.6899 0.6899 0.8662 0.8662 1.1051 1.1051 1.2792 1.2792 1.5795 1.5795 1.8212 1.8212 2.0429 2.0429 2.3806 2.3806 2.6220 2.6220 2.7272 2.7272 2.8038 2.8038 2.9257 2.9257 3.7833 3.7833 4.0231 4.0231 4.8510 4.8510 5.3273 5.3273 5.8706 5.8706 6.2295 6.2295 6.4540 6.4540 k = 0.5490-0.0050-0.1687 ( 14384 PWs) bands (ev): -8.9056 -8.9056 -8.7680 -8.7680 -8.4861 -8.4861 -8.3375 -8.3375 -7.2335 -7.2335 -5.9057 -5.9057 -5.3355 -5.3355 -4.3427 -4.3427 0.3609 0.3609 0.4446 0.4446 0.6913 0.6913 0.8618 0.8618 1.0632 1.0632 1.2288 1.2288 1.5980 1.5980 1.8319 1.8319 1.9696 1.9696 2.3734 2.3734 2.5868 2.5868 2.7050 2.7050 2.7938 2.7938 2.9152 2.9152 3.7526 3.7526 3.9989 3.9989 4.9356 4.9356 5.3716 5.3716 5.9340 5.9340 6.2497 6.2497 6.4937 6.4937 k = 0.5560-0.0277-0.1687 ( 14372 PWs) bands (ev): -8.8920 -8.8920 -8.7558 -8.7558 -8.4791 -8.4791 -8.3311 -8.3311 -7.2197 -7.2197 -5.9255 -5.9255 -5.3504 -5.3504 -4.3543 -4.3543 0.3481 0.3481 0.4466 0.4466 0.6952 0.6952 0.8564 0.8564 1.0221 1.0221 1.1771 1.1771 1.6129 1.6129 1.8325 1.8325 1.8974 1.8974 2.3655 2.3655 2.5485 2.5485 2.6793 2.6793 2.7822 2.7822 2.9091 2.9091 3.7217 3.7217 3.9732 3.9732 5.0181 5.0181 5.4190 5.4190 6.0021 6.0021 6.2773 6.2773 6.5328 6.5328 k = 0.5630-0.0505-0.1687 ( 14362 PWs) bands (ev): -8.8766 -8.8766 -8.7421 -8.7421 -8.4712 -8.4712 -8.3239 -8.3239 -7.2042 -7.2042 -5.9478 -5.9478 -5.3669 -5.3669 -4.3676 -4.3676 0.3325 0.3325 0.4468 0.4468 0.7020 0.7020 0.8495 0.8495 0.9828 0.9828 1.1247 1.1247 1.6188 1.6188 1.7986 1.7986 1.8579 1.8579 2.3569 2.3569 2.5088 2.5088 2.6495 2.6495 2.7698 2.7698 2.9065 2.9065 3.6906 3.6906 3.9463 3.9463 5.0970 5.0970 5.4684 5.4684 6.0727 6.0727 6.3120 6.3120 6.5704 6.5704 k = 0.5699-0.0732-0.1687 ( 14360 PWs) bands (ev): -8.8596 -8.8596 -8.7269 -8.7269 -8.4626 -8.4626 -8.3160 -8.3160 -7.1871 -7.1871 -5.9724 -5.9724 -5.3850 -5.3850 -4.3827 -4.3827 0.3142 0.3142 0.4447 0.4447 0.7119 0.7119 0.8397 0.8397 0.9469 0.9469 1.0722 1.0722 1.6019 1.6019 1.7466 1.7466 1.8516 1.8516 2.3459 2.3459 2.4701 2.4701 2.6162 2.6162 2.7574 2.7574 2.9061 2.9061 3.6592 3.6592 3.9183 3.9183 5.1710 5.1710 5.5187 5.5187 6.1435 6.1435 6.3535 6.3535 6.6067 6.6067 k = 0.5769-0.0959-0.1687 ( 14350 PWs) bands (ev): -8.8410 -8.8410 -8.7104 -8.7104 -8.4533 -8.4533 -8.3075 -8.3075 -7.1686 -7.1686 -5.9994 -5.9994 -5.4045 -5.4045 -4.3995 -4.3995 0.2933 0.2933 0.4401 0.4401 0.7246 0.7246 0.8248 0.8248 0.9170 0.9170 1.0199 1.0199 1.5478 1.5478 1.7222 1.7222 1.8506 1.8506 2.3284 2.3284 2.4365 2.4365 2.5800 2.5800 2.7452 2.7452 2.9070 2.9070 3.6274 3.6274 3.8891 3.8891 5.2396 5.2396 5.5690 5.5690 6.2117 6.2117 6.4008 6.4008 6.6422 6.6422 k = 0.5839-0.1186-0.1687 ( 14358 PWs) bands (ev): -8.8208 -8.8208 -8.6926 -8.6926 -8.4432 -8.4432 -8.2983 -8.2983 -7.1488 -7.1488 -6.0285 -6.0285 -5.4251 -5.4251 -4.4183 -4.4183 0.2701 0.2701 0.4326 0.4326 0.7395 0.7395 0.8024 0.8024 0.8955 0.8955 0.9684 0.9684 1.4708 1.4708 1.7168 1.7168 1.8527 1.8527 2.2992 2.2992 2.4125 2.4125 2.5422 2.5422 2.7335 2.7335 2.9081 2.9081 3.5950 3.5950 3.8588 3.8588 5.3022 5.3022 5.6191 5.6191 6.2743 6.2743 6.4524 6.4524 6.6786 6.6786 k = 0.5909-0.1413-0.1687 ( 14362 PWs) bands (ev): -8.7992 -8.7992 -8.6736 -8.6736 -8.4326 -8.4326 -8.2886 -8.2886 -7.1277 -7.1277 -6.0597 -6.0597 -5.4468 -5.4468 -4.4389 -4.4389 0.2451 0.2451 0.4218 0.4218 0.7539 0.7539 0.7739 0.7739 0.8809 0.8809 0.9196 0.9196 1.3881 1.3881 1.7165 1.7165 1.8582 1.8582 2.2582 2.2582 2.3970 2.3970 2.5049 2.5049 2.7223 2.7223 2.9088 2.9088 3.5621 3.5621 3.8270 3.8270 5.3588 5.3588 5.6687 5.6687 6.3289 6.3289 6.5058 6.5058 6.7179 6.7179 k = 0.5979-0.1640-0.1687 ( 14354 PWs) bands (ev): -8.7762 -8.7762 -8.6535 -8.6535 -8.4213 -8.4213 -8.2785 -8.2785 -7.1056 -7.1056 -6.0929 -6.0929 -5.4691 -5.4691 -4.4615 -4.4615 0.2187 0.2187 0.4076 0.4076 0.7339 0.7339 0.7729 0.7729 0.8576 0.8576 0.8887 0.8887 1.3075 1.3075 1.7174 1.7174 1.8664 1.8664 2.2097 2.2097 2.3832 2.3832 2.4717 2.4717 2.7116 2.7116 2.9086 2.9086 3.5284 3.5284 3.7935 3.7935 5.4095 5.4095 5.7176 5.7176 6.3741 6.3741 6.5579 6.5579 6.7620 6.7620 k = 0.6049-0.1867-0.1687 ( 14368 PWs) bands (ev): -8.7518 -8.7518 -8.6324 -8.6324 -8.4096 -8.4096 -8.2679 -8.2679 -7.0826 -7.0826 -6.1278 -6.1278 -5.4919 -5.4919 -4.4862 -4.4862 0.1914 0.1914 0.3896 0.3896 0.6949 0.6949 0.7733 0.7733 0.8246 0.8246 0.8851 0.8851 1.2337 1.2337 1.7194 1.7194 1.8760 1.8760 2.1574 2.1574 2.3636 2.3636 2.4481 2.4481 2.7014 2.7014 2.9071 2.9071 3.4939 3.4939 3.7580 3.7580 5.4548 5.4548 5.7658 5.7658 6.4096 6.4096 6.6060 6.6060 6.8115 6.8115 k = 0.6119-0.2095-0.1687 ( 14374 PWs) bands (ev): -8.7263 -8.7263 -8.6104 -8.6104 -8.3974 -8.3974 -8.2569 -8.2569 -7.0589 -7.0589 -6.1642 -6.1642 -5.5149 -5.5149 -4.5128 -4.5128 0.1638 0.1638 0.3677 0.3677 0.6527 0.6527 0.7373 0.7373 0.8187 0.8187 0.8924 0.8924 1.1708 1.1708 1.7230 1.7230 1.8850 1.8850 2.1041 2.1041 2.3361 2.3361 2.4357 2.4357 2.6915 2.6915 2.9038 2.9038 3.4585 3.4585 3.7205 3.7205 5.4951 5.4951 5.8132 5.8132 6.4363 6.4363 6.6489 6.6489 6.8643 6.8643 k = 0.6189-0.2322-0.1687 ( 14364 PWs) bands (ev): -8.6996 -8.6996 -8.5877 -8.5877 -8.3848 -8.3848 -8.2457 -8.2457 -7.0347 -7.0347 -6.2021 -6.2021 -5.5376 -5.5376 -4.5415 -4.5415 0.1362 0.1362 0.3419 0.3419 0.6084 0.6084 0.6837 0.6837 0.8200 0.8200 0.9080 0.9080 1.1220 1.1220 1.7283 1.7283 1.8908 1.8908 2.0526 2.0526 2.3055 2.3055 2.4305 2.4305 2.6820 2.6820 2.8986 2.8986 3.4223 3.4223 3.6808 3.6808 5.5310 5.5310 5.8592 5.8592 6.4555 6.4555 6.6860 6.6860 6.9165 6.9165 k = 0.6259-0.2549-0.1687 ( 14364 PWs) bands (ev): -8.6720 -8.6720 -8.5644 -8.5644 -8.3719 -8.3719 -8.2342 -8.2342 -7.0104 -7.0104 -6.2411 -6.2411 -5.5597 -5.5597 -4.5723 -4.5723 0.1090 0.1090 0.3120 0.3120 0.5628 0.5628 0.6237 0.6237 0.8185 0.8185 0.9290 0.9290 1.0892 1.0892 1.7349 1.7349 1.8893 1.8893 2.0071 2.0071 2.2772 2.2772 2.4286 2.4286 2.6725 2.6725 2.8912 2.8912 3.3855 3.3855 3.6388 3.6388 5.5632 5.5632 5.9037 5.9037 6.4688 6.4688 6.7170 6.7170 6.9591 6.9591 k = 0.6329-0.2776-0.1687 ( 14370 PWs) bands (ev): -8.6435 -8.6435 -8.5407 -8.5407 -8.3588 -8.3588 -8.2227 -8.2227 -6.9861 -6.9861 -6.2811 -6.2811 -5.5806 -5.5806 -4.6051 -4.6051 0.0825 0.0825 0.2780 0.2780 0.5157 0.5157 0.5608 0.5608 0.8151 0.8151 0.9517 0.9517 1.0726 1.0726 1.7406 1.7406 1.8765 1.8765 1.9734 1.9734 2.2545 2.2545 2.4281 2.4281 2.6630 2.6630 2.8815 2.8815 3.3481 3.3481 3.5946 3.5946 5.5921 5.5921 5.9460 5.9460 6.4778 6.4778 6.7411 6.7411 6.9723 6.9723 k = 0.6399-0.3003-0.1687 ( 14374 PWs) bands (ev): -8.6143 -8.6143 -8.5167 -8.5167 -8.3456 -8.3456 -8.2110 -8.2110 -6.9622 -6.9622 -6.3217 -6.3217 -5.6000 -5.6000 -4.6399 -4.6399 0.0570 0.0570 0.2403 0.2403 0.4632 0.4632 0.5018 0.5018 0.8117 0.8117 0.9723 0.9723 1.0713 1.0713 1.7404 1.7404 1.8564 1.8564 1.9525 1.9525 2.2396 2.2396 2.4280 2.4280 2.6533 2.6533 2.8695 2.8695 3.3106 3.3106 3.5483 3.5483 5.6182 5.6182 5.9859 5.9859 6.4833 6.4833 6.7566 6.7566 6.9586 6.9586 k = 0.6469-0.3230-0.1687 ( 14368 PWs) bands (ev): -8.5846 -8.5846 -8.4928 -8.4928 -8.3322 -8.3322 -8.1994 -8.1994 -6.9390 -6.9390 -6.3626 -6.3626 -5.6173 -5.6173 -4.6767 -4.6767 0.0324 0.0324 0.1992 0.1992 0.4005 0.4005 0.4539 0.4539 0.8095 0.8095 0.9884 0.9884 1.0837 1.0837 1.7259 1.7259 1.8448 1.8448 1.9376 1.9376 2.2330 2.2330 2.4280 2.4280 2.6431 2.6431 2.8551 2.8551 3.2732 3.2732 3.5001 3.5001 5.6418 5.6418 6.0227 6.0227 6.4861 6.4861 6.7615 6.7615 6.9434 6.9434 k = 0.6539-0.3457-0.1687 ( 14382 PWs) bands (ev): -8.5546 -8.5546 -8.4692 -8.4692 -8.3189 -8.3189 -8.1879 -8.1879 -6.9169 -6.9169 -6.4037 -6.4037 -5.6319 -5.6319 -4.7154 -4.7154 0.0087 0.0087 0.1555 0.1555 0.3327 0.3327 0.4138 0.4138 0.8093 0.8093 1.0004 1.0004 1.1059 1.1059 1.6968 1.6968 1.8487 1.8487 1.9243 1.9243 2.2339 2.2339 2.4279 2.4279 2.6325 2.6325 2.8386 2.8386 3.2366 3.2366 3.4502 3.4502 5.6631 5.6631 6.0559 6.0559 6.4864 6.4864 6.7550 6.7550 6.9362 6.9362 k = 0.6609-0.3685-0.1687 ( 14382 PWs) bands (ev): -8.5244 -8.5244 -8.4460 -8.4460 -8.3057 -8.3057 -8.1766 -8.1766 -6.8961 -6.8961 -6.4444 -6.4444 -5.6434 -5.6434 -4.7558 -4.7558 -0.0143 -0.0143 0.1103 0.1103 0.2653 0.2653 0.3775 0.3775 0.8112 0.8112 1.0105 1.0105 1.1333 1.1333 1.6621 1.6621 1.8618 1.8618 1.9126 1.9126 2.2406 2.2406 2.4276 2.4276 2.6213 2.6213 2.8201 2.8201 3.2011 3.2011 3.3990 3.3990 5.6822 5.6822 6.0850 6.0850 6.4846 6.4846 6.7394 6.7394 6.9374 6.9374 k = 0.6679-0.3912-0.1687 ( 14384 PWs) bands (ev): -8.4944 -8.4944 -8.4238 -8.4238 -8.2925 -8.2925 -8.1656 -8.1656 -6.8770 -6.8770 -6.4846 -6.4846 -5.6511 -5.6511 -4.7979 -4.7979 -0.0371 -0.0371 0.0643 0.0643 0.2008 0.2008 0.3433 0.3433 0.8150 0.8150 1.0204 1.0204 1.1624 1.1624 1.6286 1.6286 1.8757 1.8757 1.9064 1.9064 2.2510 2.2510 2.4272 2.4272 2.6094 2.6094 2.7998 2.7998 3.1676 3.1676 3.3467 3.3467 5.6992 5.6992 6.1091 6.1091 6.4806 6.4806 6.7194 6.7194 6.9445 6.9445 k = 0.6749-0.4139-0.1687 ( 14376 PWs) bands (ev): -8.4647 -8.4647 -8.4027 -8.4027 -8.2796 -8.2796 -8.1549 -8.1549 -6.8598 -6.8598 -6.5237 -6.5237 -5.6545 -5.6545 -4.8416 -4.8416 -0.0607 -0.0607 0.0185 0.0185 0.1413 0.1413 0.3104 0.3104 0.8204 0.8204 1.0310 1.0310 1.1908 1.1908 1.6003 1.6003 1.8793 1.8793 1.9155 1.9155 2.2633 2.2633 2.4266 2.4266 2.5969 2.5969 2.7782 2.7782 3.1366 3.1366 3.2937 3.2937 5.7141 5.7141 6.1273 6.1273 6.4748 6.4748 6.6988 6.6988 6.9548 6.9548 k = 0.6819-0.4366-0.1687 ( 14370 PWs) bands (ev): -8.4357 -8.4357 -8.3832 -8.3832 -8.2669 -8.2669 -8.1447 -8.1447 -6.8446 -6.8446 -6.5615 -6.5615 -5.6533 -5.6533 -4.8865 -4.8865 -0.0864 -0.0864 -0.0264 -0.0264 0.0887 0.0887 0.2780 0.2780 0.8267 0.8267 1.0429 1.0429 1.2167 1.2167 1.5794 1.5794 1.8765 1.8765 1.9354 1.9354 2.2757 2.2757 2.4260 2.4260 2.5842 2.5842 2.7558 2.7558 3.1086 3.1086 3.2406 3.2406 5.7270 5.7270 6.1387 6.1387 6.4673 6.4673 6.6802 6.6802 6.9668 6.9668 k = 0.6889-0.4593-0.1687 ( 14380 PWs) bands (ev): -8.4076 -8.4076 -8.3657 -8.3657 -8.2544 -8.2544 -8.1349 -8.1349 -6.8314 -6.8314 -6.5976 -6.5976 -5.6471 -5.6471 -4.9327 -4.9327 -0.1159 -0.1159 -0.0692 -0.0692 0.0447 0.0447 0.2459 0.2459 0.8337 0.8337 1.0565 1.0565 1.2387 1.2387 1.5675 1.5675 1.8752 1.8752 1.9580 1.9580 2.2868 2.2868 2.4255 2.4255 2.5718 2.5718 2.7331 2.7331 3.0839 3.0839 3.1882 3.1882 5.7380 5.7380 6.1422 6.1422 6.4587 6.4587 6.6652 6.6652 6.9797 6.9797 k = 0.6959-0.4820-0.1687 ( 14384 PWs) bands (ev): -8.3808 -8.3808 -8.3506 -8.3506 -8.2422 -8.2422 -8.1258 -8.1258 -6.8203 -6.8203 -6.6315 -6.6315 -5.6358 -5.6358 -4.9799 -4.9799 -0.1503 -0.1503 -0.1090 -0.1090 0.0097 0.0097 0.2139 0.2139 0.8410 0.8410 1.0722 1.0722 1.2565 1.2565 1.5648 1.5648 1.8771 1.8771 1.9809 1.9809 2.2948 2.2948 2.4250 2.4250 2.5603 2.5603 2.7107 2.7107 3.0618 3.0618 3.1384 3.1384 5.7471 5.7471 6.1372 6.1372 6.4492 6.4492 6.6543 6.6543 6.9930 6.9930 k = 0.7028-0.5048-0.1687 ( 14392 PWs) bands (ev): -8.3556 -8.3556 -8.3384 -8.3384 -8.2302 -8.2302 -8.1172 -8.1172 -6.8108 -6.8108 -6.6630 -6.6630 -5.6192 -5.6192 -5.0278 -5.0278 -0.1884 -0.1884 -0.1455 -0.1455 -0.0170 -0.0170 0.1820 0.1820 0.8485 0.8485 1.0900 1.0900 1.2704 1.2704 1.5706 1.5706 1.8825 1.8825 2.0032 2.0032 2.2984 2.2984 2.4248 2.4248 2.5508 2.5508 2.6894 2.6894 3.0378 3.0378 3.0967 3.0967 5.7544 5.7544 6.1235 6.1235 6.4390 6.4390 6.6480 6.6480 7.0066 7.0066 k = 0.7098-0.5275-0.1687 ( 14404 PWs) bands (ev): -8.3325 -8.3325 -8.3292 -8.3292 -8.2186 -8.2186 -8.1094 -8.1094 -6.8026 -6.8026 -6.6917 -6.6917 -5.5975 -5.5975 -5.0763 -5.0763 -0.2277 -0.2277 -0.1789 -0.1789 -0.0378 -0.0378 0.1504 0.1504 0.8565 0.8565 1.1096 1.1096 1.2820 1.2820 1.5828 1.5828 1.8915 1.8915 2.0245 2.0245 2.2961 2.2961 2.4248 2.4248 2.5435 2.5435 2.6701 2.6701 3.0033 3.0033 3.0731 3.0731 5.7599 5.7599 6.1018 6.1018 6.4279 6.4279 6.6458 6.6458 7.0202 7.0202 k = 0.7168-0.5502-0.1687 ( 14408 PWs) bands (ev): -8.3238 -8.3238 -8.3115 -8.3115 -8.2074 -8.2074 -8.1023 -8.1023 -6.7953 -6.7953 -6.7173 -6.7173 -5.5709 -5.5709 -5.1249 -5.1249 -0.2658 -0.2658 -0.2095 -0.2095 -0.0544 -0.0544 0.1194 0.1194 0.8654 0.8654 1.1306 1.1306 1.2927 1.2927 1.5989 1.5989 1.9042 1.9042 2.0442 2.0442 2.2875 2.2875 2.4253 2.4253 2.5379 2.5379 2.6542 2.6542 2.9604 2.9604 3.0666 3.0666 5.7639 5.7639 6.0731 6.0731 6.4153 6.4153 6.6472 6.6472 7.0337 7.0337 k = 0.7238-0.5729-0.1687 ( 14404 PWs) bands (ev): -8.3219 -8.3219 -8.2934 -8.2934 -8.1968 -8.1968 -8.0959 -8.0959 -6.7883 -6.7883 -6.7397 -6.7397 -5.5396 -5.5396 -5.1736 -5.1736 -0.3013 -0.3013 -0.2373 -0.2373 -0.0684 -0.0684 0.0895 0.0895 0.8756 0.8756 1.1522 1.1522 1.3039 1.3039 1.6170 1.6170 1.9203 1.9203 2.0624 2.0624 2.2726 2.2726 2.4263 2.4263 2.5323 2.5323 2.6430 2.6430 2.9171 2.9171 3.0705 3.0705 5.7662 5.7662 6.0386 6.0386 6.4013 6.4013 6.6512 6.6512 7.0471 7.0471 k = 0.2762-0.8968 0.0000 ( 14404 PWs) bands (ev): -8.3219 -8.3219 -8.2934 -8.2934 -8.1968 -8.1968 -8.0959 -8.0959 -6.7883 -6.7883 -6.7397 -6.7397 -5.5396 -5.5396 -5.1736 -5.1736 -0.3013 -0.3013 -0.2373 -0.2373 -0.0684 -0.0684 0.0895 0.0895 0.8756 0.8756 1.1522 1.1522 1.3039 1.3039 1.6170 1.6170 1.9203 1.9203 2.0624 2.0624 2.2726 2.2726 2.4263 2.4263 2.5323 2.5323 2.6430 2.6430 2.9171 2.9171 3.0705 3.0705 5.7662 5.7662 6.0386 6.0386 6.4013 6.4013 6.6512 6.6512 7.0471 7.0471 k = 0.2693-0.8744 0.0000 ( 14402 PWs) bands (ev): -8.3237 -8.3237 -8.2786 -8.2786 -8.1869 -8.1869 -8.0904 -8.0904 -6.7810 -6.7810 -6.7584 -6.7584 -5.5046 -5.5046 -5.2213 -5.2213 -0.3331 -0.3331 -0.2619 -0.2619 -0.0803 -0.0803 0.0616 0.0616 0.8878 0.8878 1.1730 1.1730 1.3158 1.3158 1.6357 1.6357 1.9390 1.9390 2.0786 2.0786 2.2529 2.2529 2.4276 2.4276 2.5255 2.5255 2.6366 2.6366 2.8787 2.8787 3.0818 3.0818 5.7668 5.7668 6.0001 6.0001 6.3860 6.3860 6.6568 6.6568 7.0602 7.0602 k = 0.2624-0.8520 0.0000 ( 14394 PWs) bands (ev): -8.3293 -8.3293 -8.2670 -8.2670 -8.1779 -8.1779 -8.0856 -8.0856 -6.7745 -6.7745 -6.7722 -6.7722 -5.4659 -5.4659 -5.2684 -5.2684 -0.3610 -0.3610 -0.2836 -0.2836 -0.0910 -0.0910 0.0357 0.0357 0.9023 0.9023 1.1926 1.1926 1.3283 1.3283 1.6552 1.6552 1.9595 1.9595 2.0935 2.0935 2.2293 2.2293 2.4286 2.4286 2.5175 2.5175 2.6321 2.6321 2.8488 2.8488 3.0996 3.0996 5.7653 5.7653 5.9584 5.9584 6.3697 6.3697 6.6629 6.6629 7.0732 7.0732 k = 0.2555-0.8296 0.0000 ( 14402 PWs) bands (ev): -8.3386 -8.3386 -8.2590 -8.2590 -8.1697 -8.1697 -8.0815 -8.0815 -6.7862 -6.7862 -6.7632 -6.7632 -5.4239 -5.4239 -5.3146 -5.3146 -0.3850 -0.3850 -0.3025 -0.3025 -0.1005 -0.1005 0.0126 0.0126 0.9195 0.9195 1.2102 1.2102 1.3402 1.3402 1.6762 1.6762 1.9803 1.9803 2.1073 2.1073 2.2034 2.2034 2.4283 2.4283 2.5104 2.5104 2.6250 2.6250 2.8319 2.8319 3.1228 3.1228 5.7610 5.7610 5.9151 5.9151 6.3526 6.3526 6.6687 6.6687 7.0862 7.0862 k = 0.2486-0.8072 0.0000 ( 14406 PWs) bands (ev): -8.3514 -8.3514 -8.2547 -8.2547 -8.1625 -8.1625 -8.0781 -8.0781 -6.7954 -6.7954 -6.7520 -6.7520 -5.3790 -5.3790 -5.3595 -5.3595 -0.4048 -0.4048 -0.3187 -0.3187 -0.1089 -0.1089 -0.0071 -0.0071 0.9395 0.9395 1.2252 1.2252 1.3506 1.3506 1.6998 1.6998 1.9996 1.9996 2.1193 2.1193 2.1774 2.1774 2.4264 2.4264 2.5059 2.5059 2.6120 2.6120 2.8307 2.8307 3.1510 3.1510 5.7516 5.7516 5.8729 5.8729 6.3354 6.3354 6.6735 6.6735 7.0991 7.0991 k = 0.2416-0.7847 0.0000 ( 14402 PWs) bands (ev): -8.3677 -8.3677 -8.2542 -8.2542 -8.1564 -8.1564 -8.0755 -8.0755 -6.8020 -6.8020 -6.7386 -6.7386 -5.4029 -5.4029 -5.3316 -5.3316 -0.4205 -0.4205 -0.3324 -0.3324 -0.1159 -0.1159 -0.0228 -0.0228 0.9621 0.9621 1.2368 1.2368 1.3585 1.3585 1.7268 1.7268 2.0155 2.0155 2.1229 2.1229 2.1592 2.1592 2.4229 2.4229 2.5048 2.5048 2.5949 2.5949 2.8440 2.8440 3.1834 3.1834 5.7327 5.7327 5.8364 5.8364 6.3185 6.3185 6.6769 6.6769 7.1121 7.1121 k = 0.2347-0.7623 0.0000 ( 14408 PWs) bands (ev): -8.3872 -8.3872 -8.2574 -8.2574 -8.1512 -8.1512 -8.0736 -8.0736 -6.8063 -6.8063 -6.7229 -6.7229 -5.4444 -5.4444 -5.2822 -5.2822 -0.4320 -0.4320 -0.3437 -0.3437 -0.1215 -0.1215 -0.0339 -0.0339 0.9870 0.9870 1.2447 1.2447 1.3638 1.3638 1.7573 1.7573 2.0270 2.0270 2.1047 2.1047 2.1626 2.1626 2.4189 2.4189 2.5063 2.5063 2.5790 2.5790 2.8678 2.8678 3.2195 3.2195 5.6996 5.6996 5.8106 5.8106 6.3024 6.3024 6.6783 6.6783 7.1252 7.1252 k = 0.2278-0.7399 0.0000 ( 14400 PWs) bands (ev): -8.4096 -8.4096 -8.2642 -8.2642 -8.1471 -8.1471 -8.0725 -8.0725 -6.8089 -6.8089 -6.7048 -6.7048 -5.4836 -5.4836 -5.2311 -5.2311 -0.4395 -0.4395 -0.3526 -0.3526 -0.1252 -0.1252 -0.0398 -0.0398 1.0136 1.0136 1.2483 1.2483 1.3667 1.3667 1.7902 1.7902 2.0333 2.0333 2.0791 2.0791 2.1734 2.1734 2.4149 2.4149 2.5093 2.5093 2.5701 2.5701 2.8988 2.8988 3.2588 3.2588 5.6540 5.6540 5.7942 5.7942 6.2876 6.2876 6.6776 6.6776 7.1384 7.1384 k = 0.2209-0.7175 0.0000 ( 14390 PWs) bands (ev): -8.4346 -8.4346 -8.2744 -8.2744 -8.1440 -8.1440 -8.0722 -8.0722 -6.8103 -6.8103 -6.6843 -6.6843 -5.5203 -5.5203 -5.1787 -5.1787 -0.4431 -0.4431 -0.3593 -0.3593 -0.1267 -0.1267 -0.0403 -0.0403 1.0409 1.0409 1.2477 1.2477 1.3681 1.3681 1.8233 1.8233 2.0308 2.0308 2.0590 2.0590 2.1831 2.1831 2.4103 2.4103 2.5154 2.5154 2.5712 2.5712 2.9344 2.9344 3.3007 3.3007 5.6008 5.6008 5.7821 5.7821 6.2743 6.2743 6.6745 6.6745 7.1519 7.1519 k = 0.2140-0.6950 0.0000 ( 14386 PWs) bands (ev): -8.4619 -8.4619 -8.2877 -8.2877 -8.1419 -8.1419 -8.0727 -8.0727 -6.8111 -6.8111 -6.6615 -6.6615 -5.5539 -5.5539 -5.1254 -5.1254 -0.4429 -0.4429 -0.3635 -0.3635 -0.1257 -0.1257 -0.0351 -0.0351 1.0674 1.0674 1.2435 1.2435 1.3685 1.3685 1.8532 1.8532 2.0138 2.0138 2.0541 2.0541 2.1902 2.1902 2.4051 2.4051 2.5279 2.5279 2.5812 2.5812 2.9730 2.9730 3.3449 3.3449 5.5435 5.5435 5.7712 5.7712 6.2628 6.2628 6.6690 6.6690 7.1655 7.1655 k = 0.2071-0.6726 0.0000 ( 14398 PWs) bands (ev): -8.4912 -8.4912 -8.3038 -8.3038 -8.1407 -8.1407 -8.0740 -8.0740 -6.8119 -6.8119 -6.6367 -6.6367 -5.5844 -5.5844 -5.0714 -5.0714 -0.4392 -0.4392 -0.3651 -0.3651 -0.1216 -0.1216 -0.0243 -0.0243 1.0912 1.0912 1.2370 1.2370 1.3683 1.3683 1.8749 1.8749 1.9944 1.9944 2.0558 2.0558 2.1959 2.1959 2.4013 2.4013 2.5479 2.5479 2.5980 2.5980 3.0135 3.0135 3.3907 3.3907 5.4837 5.4837 5.7600 5.7600 6.2533 6.2533 6.6610 6.6610 7.1793 7.1793 k = 0.2002-0.6502 0.0000 ( 14396 PWs) bands (ev): -8.5220 -8.5220 -8.3223 -8.3223 -8.1405 -8.1405 -8.0761 -8.0761 -6.8131 -6.8131 -6.6100 -6.6100 -5.6113 -5.6113 -5.0172 -5.0172 -0.4322 -0.4322 -0.3639 -0.3639 -0.1140 -0.1140 -0.0079 -0.0079 1.1095 1.1095 1.2304 1.2304 1.3681 1.3681 1.8834 1.8834 1.9804 1.9804 2.0591 2.0591 2.2025 2.2025 2.4021 2.4021 2.5730 2.5730 2.6211 2.6211 3.0551 3.0551 3.4379 3.4379 5.4224 5.4224 5.7479 5.7479 6.2457 6.2457 6.6506 6.6506 7.1928 7.1928 k = 0.1933-0.6278 0.0000 ( 14396 PWs) bands (ev): -8.5541 -8.5541 -8.3430 -8.3430 -8.1412 -8.1412 -8.0789 -8.0789 -6.8154 -6.8154 -6.5816 -6.5816 -5.6346 -5.6346 -4.9629 -4.9629 -0.4221 -0.4221 -0.3595 -0.3595 -0.1024 -0.1024 0.0138 0.0138 1.1188 1.1188 1.2260 1.2260 1.3684 1.3684 1.8784 1.8784 1.9725 1.9725 2.0617 2.0617 2.2121 2.2121 2.4108 2.4108 2.6005 2.6005 2.6501 2.6501 3.0973 3.0973 3.4859 3.4859 5.3604 5.3604 5.7344 5.7344 6.2398 6.2398 6.6377 6.6377 7.2060 7.2060 k = 0.1864-0.6054 0.0000 ( 14390 PWs) bands (ev): -8.5872 -8.5872 -8.3655 -8.3655 -8.1428 -8.1428 -8.0825 -8.0825 -6.8190 -6.8190 -6.5520 -6.5520 -5.6540 -5.6540 -4.9089 -4.9089 -0.4091 -0.4091 -0.3516 -0.3516 -0.0867 -0.0867 0.0404 0.0404 1.1176 1.1176 1.2245 1.2245 1.3699 1.3699 1.8656 1.8656 1.9665 1.9665 2.0622 2.0622 2.2248 2.2248 2.4294 2.4294 2.6287 2.6287 2.6844 2.6844 3.1398 3.1398 3.5341 3.5341 5.2983 5.2983 5.7195 5.7195 6.2356 6.2356 6.6224 6.6224 7.2184 7.2184 k = 0.1795-0.5829 0.0000 ( 14382 PWs) bands (ev): -8.6208 -8.6208 -8.3894 -8.3894 -8.1451 -8.1451 -8.0868 -8.0868 -6.8244 -6.8244 -6.5214 -6.5214 -5.6694 -5.6694 -4.8554 -4.8554 -0.3934 -0.3934 -0.3399 -0.3399 -0.0664 -0.0664 0.0717 0.0717 1.1075 1.1075 1.2234 1.2234 1.3730 1.3730 1.8505 1.8505 1.9594 1.9594 2.0607 2.0607 2.2392 2.2392 2.4583 2.4583 2.6576 2.6576 2.7221 2.7221 3.1823 3.1823 3.5819 3.5819 5.2368 5.2368 5.7032 5.7032 6.2329 6.2329 6.6048 6.6048 7.2294 7.2294 k = 0.1726-0.5605 0.0000 ( 14384 PWs) bands (ev): -8.6549 -8.6549 -8.4144 -8.4144 -8.1481 -8.1481 -8.0917 -8.0917 -6.8318 -6.8318 -6.4902 -6.4902 -5.6810 -5.6810 -4.8027 -4.8027 -0.3750 -0.3750 -0.3243 -0.3243 -0.0417 -0.0417 0.1073 0.1073 1.0916 1.0916 1.2197 1.2197 1.3774 1.3774 1.8357 1.8357 1.9506 1.9506 2.0588 2.0588 2.2540 2.2540 2.4960 2.4960 2.6875 2.6875 2.7614 2.7614 3.2249 3.2249 3.6286 3.6286 5.1766 5.1766 5.6853 5.6853 6.2313 6.2313 6.5849 6.5849 7.2388 7.2388 k = 0.1657-0.5381 0.0000 ( 14392 PWs) bands (ev): -8.6890 -8.6890 -8.4402 -8.4402 -8.1519 -8.1519 -8.0972 -8.0972 -6.8411 -6.8411 -6.4585 -6.4585 -5.6889 -5.6889 -4.7510 -4.7510 -0.3538 -0.3538 -0.3047 -0.3047 -0.0124 -0.0124 0.1469 0.1469 1.0722 1.0722 1.2123 1.2123 1.3822 1.3822 1.8221 1.8221 1.9403 1.9403 2.0583 2.0583 2.2691 2.2691 2.5400 2.5400 2.7188 2.7188 2.8008 2.8008 3.2678 3.2678 3.6733 3.6733 5.1184 5.1184 5.6661 5.6661 6.2309 6.2309 6.5627 6.5627 7.2459 7.2459 k = 0.1588-0.5157 0.0000 ( 14384 PWs) bands (ev): -8.7230 -8.7230 -8.4666 -8.4666 -8.1562 -8.1562 -8.1031 -8.1031 -6.8525 -6.8525 -6.4268 -6.4268 -5.6933 -5.6933 -4.7004 -4.7004 -0.3296 -0.3296 -0.2811 -0.2811 0.0213 0.0213 0.1902 0.1902 1.0509 1.0509 1.2011 1.2011 1.3862 1.3862 1.8096 1.8096 1.9290 1.9290 2.0604 2.0604 2.2851 2.2851 2.5874 2.5874 2.7514 2.7514 2.8391 2.8391 3.3110 3.3110 3.7152 3.7152 5.0632 5.0632 5.6457 5.6457 6.2313 6.2313 6.5384 6.5384 7.2507 7.2507 k = 0.1519-0.4933 0.0000 ( 14400 PWs) bands (ev): -8.7567 -8.7567 -8.4932 -8.4932 -8.1610 -8.1610 -8.1095 -8.1095 -6.8657 -6.8657 -6.3952 -6.3952 -5.6945 -5.6945 -4.6512 -4.6512 -0.3024 -0.3024 -0.2536 -0.2536 0.0592 0.0592 0.2367 0.2367 1.0283 1.0283 1.1870 1.1870 1.3890 1.3890 1.7979 1.7979 1.9175 1.9175 2.0658 2.0658 2.3022 2.3022 2.6356 2.6356 2.7853 2.7853 2.8751 2.8751 3.3549 3.3549 3.7531 3.7531 5.0119 5.0119 5.6245 5.6245 6.2326 6.2326 6.5120 6.5120 7.2530 7.2530 k = 0.1450-0.4708 0.0000 ( 14396 PWs) bands (ev): -8.7899 -8.7899 -8.5199 -8.5199 -8.1663 -8.1663 -8.1163 -8.1163 -6.8806 -6.8806 -6.3640 -6.3640 -5.6929 -5.6929 -4.6036 -4.6036 -0.2720 -0.2720 -0.2222 -0.2222 0.1010 0.1010 0.2861 0.2861 1.0052 1.0052 1.1706 1.1706 1.3904 1.3904 1.7864 1.7864 1.9066 1.9066 2.0744 2.0744 2.3207 2.3207 2.6822 2.6822 2.8206 2.8206 2.9081 2.9081 3.3998 3.3998 3.7863 3.7863 4.9655 4.9655 5.6028 5.6028 6.2345 6.2345 6.4838 6.4838 7.2528 7.2528 k = 0.1381-0.4484 0.0000 ( 14398 PWs) bands (ev): -8.8223 -8.8223 -8.5465 -8.5465 -8.1720 -8.1720 -8.1233 -8.1233 -6.8969 -6.8969 -6.3334 -6.3334 -5.6888 -5.6888 -4.5576 -4.5576 -0.2383 -0.2383 -0.1870 -0.1870 0.1462 0.1462 0.3379 0.3379 0.9820 0.9820 1.1527 1.1527 1.3906 1.3906 1.7747 1.7747 1.8971 1.8971 2.0860 2.0860 2.3403 2.3403 2.7250 2.7250 2.8576 2.8576 2.9374 2.9374 3.4457 3.4457 3.8137 3.8137 4.9249 4.9249 5.5812 5.5812 6.2369 6.2369 6.4538 6.4538 7.2502 7.2502 k = 0.1312-0.4260 0.0000 ( 14398 PWs) bands (ev): -8.8540 -8.8540 -8.5727 -8.5727 -8.1780 -8.1780 -8.1305 -8.1305 -6.9143 -6.9143 -6.3036 -6.3036 -5.6828 -5.6828 -4.5135 -4.5135 -0.2013 -0.2013 -0.1481 -0.1481 0.1944 0.1944 0.3918 0.3918 0.9592 0.9592 1.1338 1.1338 1.3898 1.3898 1.7625 1.7625 1.8897 1.8897 2.1000 2.1000 2.3605 2.3605 2.7615 2.7615 2.8968 2.8968 2.9623 2.9623 3.4928 3.4928 3.8350 3.8350 4.8908 4.8908 5.5605 5.5605 6.2395 6.2395 6.4225 6.4225 7.2454 7.2454 k = 0.1243-0.4036 0.0000 ( 14386 PWs) bands (ev): -8.8846 -8.8846 -8.5984 -8.5984 -8.1842 -8.1842 -8.1379 -8.1379 -6.9326 -6.9326 -6.2748 -6.2748 -5.6751 -5.6751 -4.4713 -4.4713 -0.1611 -0.1611 -0.1057 -0.1057 0.2451 0.2451 0.4472 0.4472 0.9371 0.9371 1.1146 1.1146 1.3884 1.3884 1.7497 1.7497 1.8851 1.8851 2.1161 2.1161 2.3809 2.3809 2.7892 2.7892 2.9379 2.9379 2.9832 2.9832 3.5411 3.5411 3.8499 3.8499 4.8634 4.8634 5.5415 5.5415 6.2420 6.2420 6.3902 6.3902 7.2383 7.2383 k = 0.1174-0.3812 0.0000 ( 14384 PWs) bands (ev): -8.9141 -8.9141 -8.6234 -8.6234 -8.1906 -8.1906 -8.1453 -8.1453 -6.9513 -6.9513 -6.2472 -6.2472 -5.6662 -5.6662 -4.4312 -4.4312 -0.1181 -0.1181 -0.0599 -0.0599 0.2977 0.2977 0.5037 0.5037 0.9163 0.9163 1.0957 1.0957 1.3865 1.3865 1.7364 1.7364 1.8837 1.8837 2.1341 2.1341 2.4006 2.4006 2.8066 2.8066 2.9768 2.9768 3.0036 3.0036 3.5901 3.5901 3.8590 3.8590 4.8427 4.8427 5.5248 5.5248 6.2437 6.2437 6.3578 6.3578 7.2290 7.2290 k = 0.1105-0.3587 0.0000 ( 14384 PWs) bands (ev): -8.9425 -8.9425 -8.6475 -8.6475 -8.1970 -8.1970 -8.1528 -8.1528 -6.9704 -6.9704 -6.2208 -6.2208 -5.6564 -5.6564 -4.3933 -4.3933 -0.0725 -0.0725 -0.0108 -0.0108 0.3515 0.3515 0.5605 0.5605 0.8973 0.8973 1.0776 1.0776 1.3843 1.3843 1.7228 1.7228 1.8857 1.8857 2.1538 2.1538 2.4191 2.4191 2.8127 2.8127 2.9971 2.9971 3.0389 3.0389 3.6393 3.6393 3.8634 3.8634 4.8279 4.8279 5.5112 5.5112 6.2428 6.2428 6.3272 6.3272 7.2173 7.2173 k = 0.1036-0.3363 0.0000 ( 14383 PWs) bands (ev): -8.9695 -8.9695 -8.6708 -8.6708 -8.2035 -8.2035 -8.1601 -8.1601 -6.9894 -6.9894 -6.1958 -6.1958 -5.6461 -5.6461 -4.3575 -4.3575 -0.0247 -0.0247 0.0412 0.0412 0.4058 0.4058 0.6167 0.6167 0.8809 0.8809 1.0613 1.0613 1.3821 1.3821 1.7090 1.7090 1.8912 1.8912 2.1748 2.1748 2.4360 2.4360 2.8071 2.8071 3.0024 3.0024 3.0843 3.0843 3.6876 3.6876 3.8651 3.8651 4.8182 4.8182 5.5011 5.5011 6.2353 6.2353 6.3027 6.3027 7.2029 7.2029 k = 0.0967-0.3139 0.0000 ( 14383 PWs) bands (ev): -8.9952 -8.9952 -8.6930 -8.6930 -8.2099 -8.2099 -8.1673 -8.1673 -7.0082 -7.0082 -6.1722 -6.1722 -5.6355 -5.6355 -4.3240 -4.3240 0.0246 0.0246 0.0957 0.0957 0.4595 0.4595 0.6710 0.6710 0.8684 0.8684 1.0474 1.0474 1.3801 1.3801 1.6954 1.6954 1.9000 1.9000 2.1967 2.1967 2.4511 2.4511 2.7898 2.7898 3.0003 3.0003 3.1310 3.1310 3.7328 3.7328 3.8674 3.8674 4.8122 4.8122 5.4948 5.4948 6.2156 6.2156 6.2897 6.2897 7.1854 7.1854 k = 0.0898-0.2915 0.0000 ( 14389 PWs) bands (ev): -9.0193 -9.0193 -8.7140 -8.7140 -8.2162 -8.2162 -8.1743 -8.1743 -7.0264 -7.0264 -6.1502 -6.1502 -5.6249 -5.6249 -4.2928 -4.2928 0.0749 0.0749 0.1522 0.1522 0.5116 0.5116 0.7211 0.7211 0.8616 0.8616 1.0371 1.0371 1.3785 1.3785 1.6823 1.6823 1.9122 1.9122 2.2190 2.2190 2.4643 2.4643 2.7612 2.7612 2.9920 2.9920 3.1766 3.1766 3.7697 3.7697 3.8765 3.8765 4.8090 4.8090 5.4920 5.4920 6.1859 6.1859 6.2864 6.2864 7.1642 7.1642 k = 0.0829-0.2691 0.0000 ( 14387 PWs) bands (ev): -9.0419 -9.0419 -8.7338 -8.7338 -8.2223 -8.2223 -8.1811 -8.1811 -7.0440 -7.0440 -6.1297 -6.1297 -5.6145 -5.6145 -4.2639 -4.2639 0.1253 0.1253 0.2098 0.2098 0.5607 0.5607 0.7632 0.7632 0.8643 0.8643 1.0321 1.0321 1.3779 1.3779 1.6699 1.6699 1.9275 1.9275 2.2407 2.2407 2.4755 2.4755 2.7224 2.7224 2.9779 2.9779 3.2199 3.2199 3.7914 3.7914 3.9001 3.9001 4.8074 4.8074 5.4925 5.4925 6.1511 6.1511 6.2876 6.2876 7.1387 7.1387 k = 0.0759-0.2466 0.0000 ( 14397 PWs) bands (ev): -9.0630 -9.0630 -8.7522 -8.7522 -8.2281 -8.2281 -8.1875 -8.1875 -7.0607 -7.0607 -6.1108 -6.1108 -5.6044 -5.6044 -4.2374 -4.2374 0.1748 0.1748 0.2676 0.2676 0.6051 0.6051 0.7928 0.7928 0.8802 0.8802 1.0343 1.0343 1.3786 1.3786 1.6585 1.6585 1.9456 1.9456 2.2610 2.2610 2.4845 2.4845 2.6751 2.6751 2.9584 2.9584 3.2598 3.2598 3.7991 3.7991 3.9379 3.9379 4.8067 4.8067 5.4955 5.4955 6.1135 6.1135 6.2908 6.2908 7.1082 7.1082 k = 0.0690-0.2242 0.0000 ( 14389 PWs) bands (ev): -9.0823 -9.0823 -8.7693 -8.7693 -8.2337 -8.2337 -8.1935 -8.1935 -7.0764 -7.0764 -6.0936 -6.0936 -5.5949 -5.5949 -4.2132 -4.2132 0.2223 0.2223 0.3241 0.3241 0.6437 0.6437 0.8124 0.8124 0.9061 0.9061 1.0459 1.0459 1.3814 1.3814 1.6483 1.6483 1.9660 1.9660 2.2786 2.2786 2.4897 2.4897 2.6225 2.6225 2.9342 2.9342 3.2955 3.2955 3.8005 3.8005 3.9824 3.9824 4.8062 4.8062 5.5005 5.5005 6.0737 6.0737 6.2953 6.2953 7.0730 7.0730 k = 0.0621-0.2018 0.0000 ( 14397 PWs) bands (ev): -9.1000 -9.1000 -8.7849 -8.7849 -8.2389 -8.2389 -8.1991 -8.1991 -7.0910 -7.0910 -6.0781 -6.0781 -5.5860 -5.5860 -4.1913 -4.1913 0.2668 0.2668 0.3774 0.3774 0.6763 0.6763 0.8289 0.8289 0.9349 0.9349 1.0671 1.0671 1.3869 1.3869 1.6395 1.6395 1.9883 1.9883 2.2929 2.2929 2.4837 2.4837 2.5733 2.5733 2.9064 2.9064 3.3266 3.3266 3.8004 3.8004 4.0291 4.0291 4.8053 4.8053 5.5072 5.5072 6.0315 6.0315 6.3007 6.3007 7.0338 7.0338 k = 0.0552-0.1794 0.0000 ( 14405 PWs) bands (ev): -9.1159 -9.1159 -8.7990 -8.7990 -8.2436 -8.2436 -8.2043 -8.2043 -7.1043 -7.1043 -6.0642 -6.0642 -5.5778 -5.5778 -4.1718 -4.1718 0.3070 0.3070 0.4253 0.4253 0.7053 0.7053 0.8450 0.8450 0.9647 0.9647 1.0952 1.0952 1.3960 1.3960 1.6326 1.6326 2.0114 2.0114 2.3032 2.3032 2.4481 2.4481 2.5475 2.5475 2.8762 2.8762 3.3527 3.3527 3.8006 3.8006 4.0759 4.0759 4.8035 4.8035 5.5150 5.5150 5.9871 5.9871 6.3069 6.3069 6.9927 6.9927 k = 0.0483-0.1569 0.0000 ( 14405 PWs) bands (ev): -9.1300 -9.1300 -8.8116 -8.8116 -8.2479 -8.2479 -8.2089 -8.2089 -7.1163 -7.1163 -6.0519 -6.0519 -5.5705 -5.5705 -4.1547 -4.1547 0.3420 0.3420 0.4657 0.4657 0.7336 0.7336 0.8611 0.8611 0.9957 0.9957 1.1261 1.1261 1.4091 1.4091 1.6280 1.6280 2.0341 2.0341 2.3087 2.3087 2.3877 2.3877 2.5426 2.5426 2.8453 2.8453 3.3739 3.3739 3.8019 3.8019 4.1218 4.1218 4.8007 4.8007 5.5238 5.5238 5.9406 5.9406 6.3137 6.3137 6.9520 6.9520 k = 0.0414-0.1345 0.0000 ( 14411 PWs) bands (ev): -9.1423 -9.1423 -8.8225 -8.8225 -8.2518 -8.2518 -8.2130 -8.2130 -7.1268 -7.1268 -6.0414 -6.0414 -5.5640 -5.5640 -4.1398 -4.1398 0.3711 0.3711 0.4972 0.4972 0.7621 0.7621 0.8784 0.8784 1.0264 1.0264 1.1573 1.1573 1.4264 1.4264 1.6263 1.6263 2.0546 2.0546 2.2954 2.2954 2.3345 2.3345 2.5425 2.5425 2.8153 2.8153 3.3906 3.3906 3.8044 3.8044 4.1658 4.1658 4.7966 4.7966 5.5334 5.5334 5.8932 5.8932 6.3206 6.3206 6.9139 6.9139 k = 0.0345-0.1121 0.0000 ( 14415 PWs) bands (ev): -9.1527 -9.1527 -8.8319 -8.8319 -8.2551 -8.2551 -8.2165 -8.2165 -7.1358 -7.1358 -6.0324 -6.0324 -5.5585 -5.5585 -4.1273 -4.1273 0.3942 0.3942 0.5203 0.5203 0.7889 0.7889 0.8997 0.8997 1.0534 1.0534 1.1879 1.1879 1.4465 1.4465 1.6290 1.6290 2.0703 2.0703 2.2330 2.2330 2.3276 2.3276 2.5423 2.5423 2.7876 2.7876 3.4033 3.4033 3.8078 3.8078 4.2070 4.2070 4.7913 4.7913 5.5436 5.5436 5.8465 5.8465 6.3273 6.3273 6.8801 6.8801 k = 0.0276-0.0897 0.0000 ( 14425 PWs) bands (ev): -9.1613 -9.1613 -8.8395 -8.8395 -8.2578 -8.2578 -8.2194 -8.2194 -7.1433 -7.1433 -6.0251 -6.0251 -5.5539 -5.5539 -4.1171 -4.1171 0.4116 0.4116 0.5366 0.5366 0.8104 0.8104 0.9267 0.9267 1.0732 1.0732 1.2179 1.2179 1.4668 1.4668 1.6381 1.6381 2.0762 2.0762 2.1662 2.1662 2.3300 2.3300 2.5414 2.5414 2.7630 2.7630 3.4125 3.4125 3.8117 3.8117 4.2442 4.2442 4.7850 4.7850 5.5540 5.5540 5.8025 5.8025 6.3332 6.3332 6.8518 6.8518 k = 0.0207-0.0673 0.0000 ( 14433 PWs) bands (ev): -9.1680 -9.1680 -8.8455 -8.8455 -8.2599 -8.2599 -8.2217 -8.2217 -7.1491 -7.1491 -6.0195 -6.0195 -5.5503 -5.5503 -4.1092 -4.1092 0.4239 0.4239 0.5476 0.5476 0.8253 0.8253 0.9577 0.9577 1.0843 1.0843 1.2462 1.2462 1.4835 1.4835 1.6559 1.6559 2.0533 2.0533 2.1246 2.1246 2.3338 2.3338 2.5406 2.5406 2.7423 2.7423 3.4190 3.4190 3.8156 3.8156 4.2759 4.2759 4.7785 4.7785 5.5641 5.5641 5.7638 5.7638 6.3379 6.3379 6.8296 6.8296 k = 0.0138-0.0448 0.0000 ( 14429 PWs) bands (ev): -9.1727 -9.1727 -8.8498 -8.8498 -8.2615 -8.2615 -8.2234 -8.2234 -7.1533 -7.1533 -6.0155 -6.0155 -5.5478 -5.5478 -4.1035 -4.1035 0.4319 0.4319 0.5547 0.5547 0.8347 0.8347 0.9880 0.9880 1.0870 1.0870 1.2703 1.2703 1.4940 1.4940 1.6824 1.6824 2.0000 2.0000 2.1156 2.1156 2.3376 2.3376 2.5406 2.5406 2.7260 2.7260 3.4231 3.4231 3.8189 3.8189 4.3006 4.3006 4.7727 4.7727 5.5731 5.5731 5.7328 5.7328 6.3413 6.3413 6.8137 6.8137 k = 0.0069-0.0224 0.0000 ( 14433 PWs) bands (ev): -9.1756 -9.1756 -8.8524 -8.8524 -8.2624 -8.2624 -8.2244 -8.2244 -7.1558 -7.1558 -6.0130 -6.0130 -5.5462 -5.5462 -4.1001 -4.1001 0.4364 0.4364 0.5587 0.5587 0.8398 0.8398 1.0120 1.0120 1.0840 1.0840 1.2868 1.2868 1.4989 1.4989 1.7108 1.7108 1.9511 1.9511 2.1138 2.1138 2.3403 2.3403 2.5413 2.5413 2.7152 2.7152 3.4255 3.4255 3.8212 3.8212 4.3163 4.3163 4.7686 4.7686 5.5797 5.5797 5.7124 5.7124 6.3432 6.3432 6.8043 6.8043 k = 0.0000 0.0000 0.0000 ( 14449 PWs) bands (ev): -9.1766 -9.1766 -8.8533 -8.8533 -8.2628 -8.2628 -8.2247 -8.2247 -7.1567 -7.1567 -6.0122 -6.0122 -5.5457 -5.5457 -4.0990 -4.0990 0.4379 0.4379 0.5600 0.5600 0.8415 0.8415 1.0220 1.0220 1.0812 1.0812 1.2927 1.2927 1.5002 1.5002 1.7247 1.7247 1.9302 1.9302 2.1133 2.1133 2.3412 2.3412 2.5418 2.5418 2.7114 2.7114 3.4262 3.4262 3.8220 3.8220 4.3217 4.3217 4.7671 4.7671 5.5822 5.5822 5.7051 5.7051 6.3439 6.3439 6.8012 6.8012 k = 0.0000 0.0000 0.0000 ( 14449 PWs) bands (ev): -9.1766 -9.1766 -8.8533 -8.8533 -8.2628 -8.2628 -8.2247 -8.2247 -7.1567 -7.1567 -6.0122 -6.0122 -5.5457 -5.5457 -4.0990 -4.0990 0.4379 0.4379 0.5600 0.5600 0.8415 0.8415 1.0220 1.0220 1.0812 1.0812 1.2927 1.2927 1.5002 1.5002 1.7247 1.7247 1.9302 1.9302 2.1133 2.1133 2.3412 2.3412 2.5418 2.5418 2.7114 2.7114 3.4262 3.4262 3.8220 3.8220 4.3217 4.3217 4.7671 4.7671 5.5822 5.5822 5.7051 5.7051 6.3439 6.3439 6.8012 6.8012 k = 0.0132-0.0193-0.0022 ( 14433 PWs) bands (ev): -9.1756 -9.1756 -8.8525 -8.8525 -8.2625 -8.2625 -8.2245 -8.2245 -7.1560 -7.1560 -6.0129 -6.0129 -5.5461 -5.5461 -4.1001 -4.1001 0.4365 0.4365 0.5589 0.5589 0.8400 0.8400 1.0119 1.0119 1.0845 1.0845 1.2873 1.2873 1.4993 1.4993 1.7119 1.7119 1.9495 1.9495 2.1139 2.1139 2.3406 2.3406 2.5412 2.5412 2.7150 2.7150 3.4254 3.4254 3.8214 3.8214 4.3166 4.3166 4.7683 4.7683 5.5789 5.5789 5.7126 5.7126 6.3432 6.3432 6.8037 6.8037 k = 0.0263-0.0387-0.0044 ( 14428 PWs) bands (ev): -9.1728 -9.1728 -8.8501 -8.8501 -8.2617 -8.2617 -8.2239 -8.2239 -7.1539 -7.1539 -6.0147 -6.0147 -5.5472 -5.5472 -4.1034 -4.1034 0.4324 0.4324 0.5556 0.5556 0.8355 0.8355 0.9879 0.9879 1.0886 1.0886 1.2721 1.2721 1.4956 1.4956 1.6852 1.6852 1.9950 1.9950 2.1159 2.1159 2.3389 2.3389 2.5401 2.5401 2.7251 2.7251 3.4227 3.4227 3.8199 3.8199 4.3020 4.3020 4.7717 4.7717 5.5707 5.5707 5.7332 5.7332 6.3411 6.3411 6.8112 6.8112 k = 0.0395-0.0580-0.0067 ( 14427 PWs) bands (ev): -9.1682 -9.1682 -8.8461 -8.8461 -8.2604 -8.2604 -8.2229 -8.2229 -7.1505 -7.1505 -6.0179 -6.0179 -5.5491 -5.5491 -4.1090 -4.1090 0.4249 0.4249 0.5497 0.5497 0.8271 0.8271 0.9578 0.9578 1.0876 1.0876 1.2495 1.2495 1.4870 1.4870 1.6602 1.6602 2.0463 2.0463 2.1228 2.1228 2.3366 2.3366 2.5401 2.5401 2.7402 2.7402 3.4181 3.4181 3.8177 3.8177 4.2791 4.2791 4.7764 4.7764 5.5599 5.5599 5.7638 5.7638 6.3376 6.3376 6.8239 6.8239 k = 0.0526-0.0774-0.0089 ( 14424 PWs) bands (ev): -9.1616 -9.1616 -8.8405 -8.8405 -8.2587 -8.2587 -8.2215 -8.2215 -7.1458 -7.1458 -6.0223 -6.0223 -5.5517 -5.5517 -4.1167 -4.1167 0.4135 0.4135 0.5407 0.5407 0.8134 0.8134 0.9272 0.9272 1.0791 1.0791 1.2224 1.2224 1.4724 1.4724 1.6439 1.6439 2.0763 2.0763 2.1512 2.1512 2.3355 2.3355 2.5422 2.5422 2.7589 2.7589 3.4112 3.4112 3.8152 3.8152 4.2496 4.2496 4.7815 4.7815 5.5481 5.5481 5.8015 5.8015 6.3329 6.3329 6.8417 6.8417 k = 0.0658-0.0967-0.0111 ( 14411 PWs) bands (ev): -9.1532 -9.1532 -8.8334 -8.8334 -8.2564 -8.2564 -8.2197 -8.2197 -7.1397 -7.1397 -6.0281 -6.0281 -5.5550 -5.5550 -4.1267 -4.1267 0.3974 0.3974 0.5275 0.5275 0.7931 0.7931 0.9009 0.9009 1.0625 1.0625 1.1936 1.1936 1.4533 1.4533 1.6369 1.6369 2.0774 2.0774 2.2001 2.2001 2.3391 2.3391 2.5470 2.5470 2.7803 2.7803 3.4017 3.4017 3.8126 3.8126 4.2152 4.2152 4.7861 4.7861 5.5365 5.5365 5.8437 5.8437 6.3274 6.3274 6.8646 6.8646 k = 0.0789-0.1160-0.0133 ( 14408 PWs) bands (ev): -9.1430 -9.1430 -8.8248 -8.8248 -8.2537 -8.2537 -8.2175 -8.2175 -7.1324 -7.1324 -6.0352 -6.0352 -5.5591 -5.5591 -4.1389 -4.1389 0.3763 0.3763 0.5084 0.5084 0.7671 0.7671 0.8810 0.8810 1.0389 1.0389 1.1644 1.1644 1.4325 1.4325 1.6372 1.6372 2.0670 2.0670 2.2411 2.2411 2.3541 2.3541 2.5549 2.5549 2.8037 2.8037 3.3891 3.3891 3.8104 3.8104 4.1774 4.1774 4.7895 4.7895 5.5258 5.5258 5.8882 5.8882 6.3217 6.3217 6.8922 6.8922 k = 0.0921-0.1354-0.0155 ( 14406 PWs) bands (ev): -9.1310 -9.1310 -8.8146 -8.8146 -8.2505 -8.2505 -8.2149 -8.2149 -7.1237 -7.1237 -6.0437 -6.0437 -5.5639 -5.5639 -4.1533 -4.1533 0.3499 0.3499 0.4819 0.4819 0.7392 0.7392 0.8659 0.8659 1.0107 1.0107 1.1351 1.1351 1.4126 1.4126 1.6426 1.6426 2.0514 2.0514 2.2610 2.2610 2.3833 2.3833 2.5680 2.5680 2.8281 2.8281 3.3729 3.3729 3.8084 3.8084 4.1378 4.1378 4.7914 4.7914 5.5165 5.5165 5.9331 5.9331 6.3166 6.3166 6.9235 6.9235 k = 0.1053-0.1547-0.0178 ( 14405 PWs) bands (ev): -9.1172 -9.1172 -8.8029 -8.8029 -8.2469 -8.2469 -8.2120 -8.2120 -7.1139 -7.1139 -6.0537 -6.0537 -5.5695 -5.5695 -4.1698 -4.1698 0.3185 0.3185 0.4471 0.4471 0.7125 0.7125 0.8526 0.8526 0.9814 0.9814 1.1059 1.1059 1.3952 1.3952 1.6513 1.6513 2.0331 2.0331 2.2651 2.2651 2.4142 2.4142 2.5895 2.5895 2.8526 2.8526 3.3529 3.3529 3.8061 3.8061 4.0977 4.0977 4.7917 4.7917 5.5092 5.5092 5.9767 5.9767 6.3129 6.3129 6.9575 6.9575 k = 0.1184-0.1740-0.0200 ( 14400 PWs) bands (ev): -9.1017 -9.1017 -8.7898 -8.7898 -8.2429 -8.2429 -8.2088 -8.2088 -7.1028 -7.1028 -6.0652 -6.0652 -5.5757 -5.5757 -4.1886 -4.1886 0.2828 0.2828 0.4048 0.4048 0.6870 0.6870 0.8388 0.8388 0.9538 0.9538 1.0776 1.0776 1.3806 1.3806 1.6625 1.6625 2.0137 2.0137 2.2617 2.2617 2.4348 2.4348 2.6205 2.6205 2.8762 2.8762 3.3288 3.3288 3.8024 3.8024 4.0588 4.0588 4.7909 4.7909 5.5045 5.5045 6.0182 6.0182 6.3113 6.3113 6.9926 6.9926 k = 0.1316-0.1934-0.0222 ( 14396 PWs) bands (ev): -9.0844 -9.0844 -8.7753 -8.7753 -8.2385 -8.2385 -8.2053 -8.2053 -7.0907 -7.0907 -6.0782 -6.0782 -5.5825 -5.5825 -4.2095 -4.2095 0.2437 0.2437 0.3570 0.3570 0.6604 0.6604 0.8227 0.8227 0.9295 0.9295 1.0527 1.0527 1.3688 1.3688 1.6752 1.6752 1.9946 1.9946 2.2546 2.2546 2.4442 2.4442 2.6567 2.6567 2.8976 2.8976 3.3004 3.3004 3.7952 3.7952 4.0230 4.0230 4.7898 4.7898 5.5026 5.5026 6.0570 6.0570 6.3121 6.3121 7.0272 7.0272 k = 0.1447-0.2127-0.0244 ( 14389 PWs) bands (ev): -9.0655 -9.0655 -8.7594 -8.7594 -8.2338 -8.2338 -8.2015 -8.2015 -7.0775 -7.0775 -6.0928 -6.0928 -5.5899 -5.5899 -4.2325 -4.2325 0.2024 0.2024 0.3058 0.3058 0.6302 0.6302 0.8029 0.8029 0.9088 0.9088 1.0341 1.0341 1.3596 1.3596 1.6889 1.6889 1.9769 1.9769 2.2453 2.2453 2.4458 2.4458 2.6917 2.6917 2.9161 2.9161 3.2678 3.2678 3.7816 3.7816 3.9926 3.9926 4.7899 4.7899 5.5039 5.5039 6.0930 6.0930 6.3153 6.3153 7.0599 7.0599 k = 0.1579-0.2321-0.0266 ( 14384 PWs) bands (ev): -9.0449 -9.0449 -8.7423 -8.7423 -8.2288 -8.2288 -8.1974 -8.1974 -7.0633 -7.0633 -6.1090 -6.1090 -5.5979 -5.5979 -4.2576 -4.2576 0.1597 0.1597 0.2532 0.2532 0.5951 0.5951 0.7769 0.7769 0.8930 0.8930 1.0237 1.0237 1.3524 1.3524 1.7029 1.7029 1.9614 1.9614 2.2351 2.2351 2.4427 2.4427 2.7208 2.7208 2.9309 2.9309 3.2315 3.2315 3.7591 3.7591 3.9688 3.9688 4.7931 4.7931 5.5083 5.5083 6.1265 6.1265 6.3209 6.3209 7.0895 7.0895 k = 0.1711-0.2514-0.0289 ( 14380 PWs) bands (ev): -9.0228 -9.0228 -8.7239 -8.7239 -8.2236 -8.2236 -8.1930 -8.1930 -7.0483 -7.0483 -6.1269 -6.1269 -5.6063 -5.6063 -4.2848 -4.2848 0.1165 0.1165 0.2008 0.2008 0.5554 0.5554 0.7425 0.7425 0.8840 0.8840 1.0209 1.0209 1.3471 1.3471 1.7167 1.7167 1.9490 1.9490 2.2249 2.2249 2.4367 2.4367 2.7413 2.7413 2.9410 2.9410 3.1921 3.1921 3.7274 3.7274 3.9504 3.9504 4.8017 4.8017 5.5157 5.5157 6.1576 6.1576 6.3288 6.3288 7.1158 7.1158 k = 0.1842-0.2707-0.0311 ( 14385 PWs) bands (ev): -8.9991 -8.9991 -8.7043 -8.7043 -8.2181 -8.2181 -8.1885 -8.1885 -7.0325 -7.0325 -6.1464 -6.1464 -5.6151 -5.6151 -4.3140 -4.3140 0.0733 0.0733 0.1500 0.1500 0.5123 0.5123 0.7007 0.7007 0.8811 0.8811 1.0241 1.0241 1.3433 1.3433 1.7296 1.7296 1.9403 1.9403 2.2153 2.2153 2.4285 2.4285 2.7523 2.7523 2.9452 2.9452 3.1507 3.1507 3.6883 3.6883 3.9341 3.9341 4.8177 4.8177 5.5257 5.5257 6.1861 6.1861 6.3392 6.3392 7.1386 7.1386 k = 0.1974-0.2901-0.0333 ( 14398 PWs) bands (ev): -8.9740 -8.9740 -8.6836 -8.6836 -8.2124 -8.2124 -8.1837 -8.1837 -7.0161 -7.0161 -6.1677 -6.1677 -5.6241 -5.6241 -4.3452 -4.3452 0.0303 0.0303 0.1022 0.1022 0.4669 0.4669 0.6534 0.6534 0.8823 0.8823 1.0316 1.0316 1.3411 1.3411 1.7413 1.7413 1.9360 1.9360 2.2068 2.2068 2.4183 2.4183 2.7543 2.7543 2.9416 2.9416 3.1089 3.1089 3.6444 3.6444 3.9165 3.9165 4.8427 4.8427 5.5378 5.5378 6.2114 6.2114 6.3523 6.3523 7.1584 7.1584 k = 0.2105-0.3094-0.0355 ( 14386 PWs) bands (ev): -8.9475 -8.9475 -8.6620 -8.6620 -8.2066 -8.2066 -8.1789 -8.1789 -6.9991 -6.9991 -6.1905 -6.1905 -5.6332 -5.6332 -4.3784 -4.3784 -0.0125 -0.0125 0.0584 0.0584 0.4204 0.4204 0.6029 0.6029 0.8858 0.8858 1.0421 1.0421 1.3405 1.3405 1.7514 1.7514 1.9363 1.9363 2.1994 2.1994 2.4061 2.4061 2.7485 2.7485 2.9276 2.9276 3.0690 3.0690 3.5978 3.5978 3.8952 3.8952 4.8772 4.8772 5.5515 5.5515 6.2330 6.2330 6.3687 6.3687 7.1754 7.1754 k = 0.2237-0.3288-0.0377 ( 14390 PWs) bands (ev): -8.9197 -8.9197 -8.6394 -8.6394 -8.2007 -8.2007 -8.1739 -8.1739 -6.9818 -6.9818 -6.2150 -6.2150 -5.6421 -5.6421 -4.4134 -4.4134 -0.0553 -0.0553 0.0196 0.0196 0.3739 0.3739 0.5506 0.5506 0.8900 0.8900 1.0545 1.0545 1.3416 1.3416 1.7602 1.7602 1.9408 1.9408 2.1930 2.1930 2.3919 2.3919 2.7367 2.7367 2.9012 2.9012 3.0331 3.0331 3.5502 3.5502 3.8695 3.8695 4.9205 4.9205 5.5662 5.5662 6.2506 6.2506 6.3883 6.3883 7.1900 7.1900 k = 0.2368-0.3481-0.0399 ( 14391 PWs) bands (ev): -8.8906 -8.8906 -8.6161 -8.6161 -8.1947 -8.1947 -8.1688 -8.1688 -6.9644 -6.9644 -6.2410 -6.2410 -5.6508 -5.6508 -4.4502 -4.4502 -0.0979 -0.0979 -0.0137 -0.0137 0.3281 0.3281 0.4976 0.4976 0.8937 0.8937 1.0682 1.0682 1.3448 1.3448 1.7681 1.7681 1.9489 1.9489 2.1872 2.1872 2.3757 2.3757 2.7208 2.7208 2.8627 2.8627 3.0014 3.0014 3.5025 3.5025 3.8398 3.8398 4.9714 4.9714 5.5813 5.5813 6.2647 6.2647 6.4105 6.4105 7.2021 7.2021 k = 0.2500-0.3674-0.0422 ( 14394 PWs) bands (ev): -8.8605 -8.8605 -8.5921 -8.5921 -8.1887 -8.1887 -8.1637 -8.1637 -6.9470 -6.9470 -6.2684 -6.2684 -5.6589 -5.6589 -4.4887 -4.4887 -0.1398 -0.1398 -0.0417 -0.0417 0.2837 0.2837 0.4448 0.4448 0.8965 0.8965 1.0827 1.0827 1.3501 1.3501 1.7755 1.7755 1.9594 1.9594 2.1813 2.1813 2.3572 2.3572 2.7024 2.7024 2.8155 2.8155 2.9717 2.9717 3.4555 3.4555 3.8068 3.8068 5.0279 5.0279 5.5963 5.5963 6.2764 6.2764 6.4340 6.4340 7.2116 7.2116 k = 0.2632-0.3868-0.0444 ( 14388 PWs) bands (ev): -8.8293 -8.8293 -8.5675 -8.5675 -8.1827 -8.1827 -8.1586 -8.1586 -6.9298 -6.9298 -6.2972 -6.2972 -5.6662 -5.6662 -4.5288 -4.5288 -0.1807 -0.1807 -0.0647 -0.0647 0.2413 0.2413 0.3928 0.3928 0.8979 0.8979 1.0976 1.0976 1.3576 1.3576 1.7827 1.7827 1.9711 1.9711 2.1748 2.1748 2.3368 2.3368 2.6828 2.6828 2.7638 2.7638 2.9418 2.9418 3.4097 3.4097 3.7715 3.7715 5.0877 5.0877 5.6108 5.6108 6.2870 6.2870 6.4577 6.4577 7.2183 7.2183 k = 0.2763-0.4061-0.0466 ( 14384 PWs) bands (ev): -8.7973 -8.7973 -8.5426 -8.5426 -8.1769 -8.1769 -8.1535 -8.1535 -6.9131 -6.9131 -6.3272 -6.3272 -5.6724 -5.6724 -4.5705 -4.5705 -0.2201 -0.2201 -0.0830 -0.0830 0.2014 0.2014 0.3424 0.3424 0.8979 0.8979 1.1124 1.1124 1.3670 1.3670 1.7897 1.7897 1.9825 1.9825 2.1670 2.1670 2.3149 2.3149 2.6608 2.6608 2.7128 2.7128 2.9111 2.9111 3.3654 3.3654 3.7349 3.7349 5.1487 5.1487 5.6245 5.6245 6.2976 6.2976 6.4806 6.4806 7.2215 7.2215 k = 0.2895-0.4254-0.0488 ( 14387 PWs) bands (ev): -8.7645 -8.7645 -8.5175 -8.5175 -8.1711 -8.1711 -8.1484 -8.1484 -6.8972 -6.8972 -6.3582 -6.3582 -5.6771 -5.6771 -4.6136 -4.6136 -0.2579 -0.2579 -0.0970 -0.0970 0.1642 0.1642 0.2942 0.2942 0.8969 0.8969 1.1268 1.1268 1.3779 1.3779 1.7961 1.7961 1.9919 1.9919 2.1578 2.1578 2.2923 2.2923 2.6283 2.6283 2.6741 2.6741 2.8796 2.8796 3.3229 3.3229 3.6978 3.6978 5.2090 5.2090 5.6371 5.6371 6.3093 6.3093 6.5018 6.5018 7.2208 7.2208 k = 0.3026-0.4448-0.0510 ( 14389 PWs) bands (ev): -8.7311 -8.7311 -8.4924 -8.4924 -8.1655 -8.1655 -8.1435 -8.1435 -6.8821 -6.8821 -6.3899 -6.3899 -5.6801 -5.6801 -4.6580 -4.6580 -0.2939 -0.2939 -0.1073 -0.1073 0.1301 0.1301 0.2490 0.2490 0.8953 0.8953 1.1405 1.1405 1.3896 1.3896 1.8015 1.8015 1.9967 1.9967 2.1477 2.1477 2.2700 2.2700 2.5818 2.5818 2.6537 2.6537 2.8483 2.8483 3.2822 3.2822 3.6607 3.6607 5.2665 5.2665 5.6486 5.6486 6.3229 6.3229 6.5209 6.5209 7.2153 7.2153 k = 0.3158-0.4641-0.0533 ( 14390 PWs) bands (ev): -8.6973 -8.6973 -8.4675 -8.4675 -8.1602 -8.1602 -8.1388 -8.1388 -6.8682 -6.8682 -6.4223 -6.4223 -5.6810 -5.6810 -4.7035 -4.7035 -0.3282 -0.3282 -0.1145 -0.1145 0.0991 0.0991 0.2075 0.2075 0.8936 0.8936 1.1531 1.1531 1.4014 1.4014 1.8049 1.8049 1.9939 1.9939 2.1389 2.1389 2.2494 2.2494 2.5330 2.5330 2.6415 2.6415 2.8181 2.8181 3.2433 3.2433 3.6241 3.6241 5.3199 5.3199 5.6589 5.6589 6.3389 6.3389 6.5377 6.5377 7.2047 7.2047 k = 0.3289-0.4835-0.0555 ( 14394 PWs) bands (ev): -8.6633 -8.6633 -8.4431 -8.4431 -8.1550 -8.1550 -8.1342 -8.1342 -6.8557 -6.8557 -6.4550 -6.4550 -5.6794 -5.6794 -4.7501 -4.7501 -0.3607 -0.3607 -0.1193 -0.1193 0.0713 0.0713 0.1708 0.1708 0.8923 0.8923 1.1642 1.1642 1.4121 1.4121 1.8054 1.8054 1.9806 1.9806 2.1339 2.1339 2.2318 2.2318 2.4878 2.4878 2.6326 2.6326 2.7903 2.7903 3.2064 3.2064 3.5884 3.5884 5.3678 5.3678 5.6678 5.6678 6.3576 6.3576 6.5523 6.5523 7.1889 7.1889 k = 0.3421-0.5028-0.0577 ( 14397 PWs) bands (ev): -8.6292 -8.6292 -8.4193 -8.4193 -8.1502 -8.1502 -8.1298 -8.1298 -6.8446 -6.8446 -6.4877 -6.4877 -5.6750 -5.6750 -4.7975 -4.7975 -0.3914 -0.3914 -0.1229 -0.1229 0.0469 0.0469 0.1398 0.1398 0.8920 0.8920 1.1735 1.1735 1.4208 1.4208 1.8010 1.8010 1.9580 1.9580 2.1327 2.1327 2.2182 2.2182 2.4482 2.4482 2.6250 2.6250 2.7661 2.7661 3.1718 3.1718 3.5540 3.5540 5.4097 5.4097 5.6754 5.6754 6.3787 6.3787 6.5650 6.5650 7.1688 7.1688 k = 0.3553-0.5221-0.0599 ( 14396 PWs) bands (ev): -8.5952 -8.5952 -8.3966 -8.3966 -8.1457 -8.1457 -8.1257 -8.1257 -6.8351 -6.8351 -6.5201 -6.5201 -5.6676 -5.6676 -4.8457 -4.8457 -0.4203 -0.4203 -0.1270 -0.1270 0.0265 0.0265 0.1153 0.1153 0.8931 0.8931 1.1806 1.1806 1.4263 1.4263 1.7885 1.7885 1.9323 1.9323 2.1325 2.1325 2.2107 2.2107 2.4151 2.4151 2.6170 2.6170 2.7462 2.7462 3.1397 3.1397 3.5210 3.5210 5.4452 5.4452 5.6816 5.6816 6.4014 6.4014 6.5764 6.5764 7.1453 7.1453 k = 0.3684-0.5415-0.0621 ( 14402 PWs) bands (ev): -8.5617 -8.5617 -8.3752 -8.3752 -8.1416 -8.1416 -8.1219 -8.1219 -6.8272 -6.8272 -6.5518 -6.5518 -5.6570 -5.6570 -4.8944 -4.8944 -0.4472 -0.4472 -0.1334 -0.1334 0.0115 0.0115 0.0972 0.0972 0.8962 0.8962 1.1852 1.1852 1.4279 1.4279 1.7637 1.7637 1.9120 1.9120 2.1295 2.1295 2.2109 2.2109 2.3882 2.3882 2.6077 2.6077 2.7309 2.7309 3.1107 3.1107 3.4896 3.4896 5.4745 5.4745 5.6864 5.6864 6.4243 6.4243 6.5876 6.5876 7.1198 7.1198 k = 0.3816-0.5608-0.0644 ( 14401 PWs) bands (ev): -8.5289 -8.5289 -8.3554 -8.3554 -8.1378 -8.1378 -8.1184 -8.1184 -6.8208 -6.8208 -6.5827 -6.5827 -5.6429 -5.6429 -4.9435 -4.9435 -0.4722 -0.4722 -0.1437 -0.1437 0.0033 0.0033 0.0852 0.0852 0.9014 0.9014 1.1871 1.1871 1.4249 1.4249 1.7255 1.7255 1.9022 1.9022 2.1227 2.1227 2.2184 2.2184 2.3669 2.3669 2.5968 2.5968 2.7191 2.7191 3.0853 3.0853 3.4602 3.4602 5.4982 5.4982 5.6897 5.6897 6.4452 6.4452 6.6002 6.6002 7.0935 7.0935 k = 0.3947-0.5802-0.0666 ( 14406 PWs) bands (ev): -8.4971 -8.4971 -8.3377 -8.3377 -8.1343 -8.1343 -8.1152 -8.1152 -6.8157 -6.8157 -6.6121 -6.6121 -5.6253 -5.6253 -4.9927 -4.9927 -0.4950 -0.4950 -0.1577 -0.1577 0.0016 0.0016 0.0784 0.0784 0.9091 0.9091 1.1862 1.1862 1.4174 1.4174 1.6784 1.6784 1.9018 1.9018 2.1138 2.1138 2.2309 2.2309 2.3501 2.3501 2.5851 2.5851 2.7090 2.7090 3.0643 3.0643 3.4329 3.4329 5.5171 5.5171 5.6917 5.6917 6.4619 6.4619 6.6155 6.6155 7.0674 7.0674 k = 0.4079-0.5995-0.0688 ( 14407 PWs) bands (ev): -8.4665 -8.4665 -8.3224 -8.3224 -8.1312 -8.1312 -8.1124 -8.1124 -6.8118 -6.8118 -6.6399 -6.6399 -5.6043 -5.6043 -5.0419 -5.0419 -0.5155 -0.5155 -0.1740 -0.1740 0.0049 0.0049 0.0758 0.0758 0.9195 0.9195 1.1824 1.1824 1.4056 1.4056 1.6276 1.6276 1.9079 1.9079 2.1044 2.1044 2.2461 2.2461 2.3369 2.3369 2.5737 2.5737 2.6985 2.6985 3.0483 3.0483 3.4080 3.4080 5.5320 5.5320 5.6924 5.6924 6.4732 6.4732 6.6345 6.6345 7.0422 7.0422 k = 0.4211-0.6188-0.0710 ( 14409 PWs) bands (ev): -8.4376 -8.4376 -8.3098 -8.3098 -8.1284 -8.1284 -8.1100 -8.1100 -6.8087 -6.8087 -6.6657 -6.6657 -5.5798 -5.5798 -5.0909 -5.0909 -0.5335 -0.5335 -0.1907 -0.1907 0.0113 0.0113 0.0766 0.0766 0.9327 0.9327 1.1757 1.1757 1.3906 1.3906 1.5773 1.5773 1.9183 1.9183 2.0953 2.0953 2.2622 2.2622 2.3266 2.3266 2.5635 2.5635 2.6861 2.6861 3.0373 3.0373 3.3855 3.3855 5.5437 5.5437 5.6919 5.6919 6.4791 6.4791 6.6565 6.6565 7.0185 7.0185 k = 0.4342-0.6382-0.0732 ( 14412 PWs) bands (ev): -8.4105 -8.4105 -8.3005 -8.3005 -8.1259 -8.1259 -8.1080 -8.1080 -6.8060 -6.8060 -6.6890 -6.6890 -5.5521 -5.5521 -5.1395 -5.1395 -0.5491 -0.5491 -0.2064 -0.2064 0.0190 0.0190 0.0797 0.0797 0.9488 0.9488 1.1660 1.1660 1.3735 1.3735 1.5305 1.5305 1.9313 1.9313 2.0868 2.0868 2.2780 2.2780 2.3188 2.3188 2.5551 2.5551 2.6715 2.6715 3.0311 3.0311 3.3657 3.3657 5.5528 5.5528 5.6906 5.6906 6.4809 6.4809 6.6798 6.6798 6.9968 6.9968 k = 0.4474-0.6575-0.0755 ( 14408 PWs) bands (ev): -8.3858 -8.3858 -8.2945 -8.2945 -8.1236 -8.1236 -8.1064 -8.1064 -6.8035 -6.8035 -6.7097 -6.7097 -5.5213 -5.5213 -5.1873 -5.1873 -0.5620 -0.5620 -0.2202 -0.2202 0.0267 0.0267 0.0841 0.0841 0.9678 0.9678 1.1530 1.1530 1.3559 1.3559 1.4897 1.4897 1.9459 1.9459 2.0785 2.0785 2.2920 2.2920 2.3139 2.3139 2.5491 2.5491 2.6551 2.6551 3.0286 3.0286 3.3489 3.3489 5.5599 5.5599 5.6887 5.6887 6.4802 6.4802 6.7026 6.7026 6.9773 6.9773 k = 0.4605-0.6769-0.0777 ( 14407 PWs) bands (ev): -8.3638 -8.3638 -8.2921 -8.2921 -8.1218 -8.1218 -8.1052 -8.1052 -6.8008 -6.8008 -6.7272 -6.7272 -5.4876 -5.4876 -5.2342 -5.2342 -0.5721 -0.5721 -0.2314 -0.2314 0.0335 0.0335 0.0888 0.0888 0.9894 0.9894 1.1364 1.1364 1.3395 1.3395 1.4566 1.4566 1.9607 1.9607 2.0701 2.0701 2.3010 2.3010 2.3140 2.3140 2.5457 2.5457 2.6382 2.6382 3.0286 3.0286 3.3353 3.3353 5.5653 5.5653 5.6867 5.6867 6.4782 6.4782 6.7232 6.7232 6.9606 6.9606 k = 0.4737-0.6962-0.0799 ( 14404 PWs) bands (ev): -8.3450 -8.3450 -8.2931 -8.2931 -8.1203 -8.1203 -8.1043 -8.1043 -6.7979 -6.7979 -6.7411 -6.7411 -5.4517 -5.4517 -5.2795 -5.2795 -0.5794 -0.5794 -0.2397 -0.2397 0.0389 0.0389 0.0929 0.0929 1.0134 1.0134 1.1160 1.1160 1.3263 1.3263 1.4326 1.4326 1.9745 1.9745 2.0617 2.0617 2.3024 2.3024 2.3204 2.3204 2.5448 2.5448 2.6227 2.6227 3.0298 3.0298 3.3252 3.3252 5.5691 5.5691 5.6848 5.6848 6.4761 6.4761 6.7399 6.7399 6.9473 6.9473 k = 0.4868-0.7155-0.0821 ( 14402 PWs) bands (ev): -8.3308 -8.3308 -8.2966 -8.2966 -8.1193 -8.1193 -8.1038 -8.1038 -6.7953 -6.7953 -6.7506 -6.7506 -5.4146 -5.4146 -5.3223 -5.3223 -0.5838 -0.5838 -0.2447 -0.2447 0.0422 0.0422 0.0957 0.0957 1.0389 1.0389 1.0925 1.0925 1.3178 1.3178 1.4181 1.4181 1.9851 1.9851 2.0547 2.0547 2.3020 2.3020 2.3261 2.3261 2.5456 2.5456 2.6112 2.6112 3.0310 3.0310 3.3190 3.3190 5.5714 5.5714 5.6835 5.6835 6.4745 6.4745 6.7509 6.7509 6.9385 6.9385 k = 0.5000-0.7349-0.0843 ( 14394 PWs) bands (ev): -8.3246 -8.3246 -8.2992 -8.2992 -8.1190 -8.1190 -8.1037 -8.1037 -6.7941 -6.7941 -6.7541 -6.7541 -5.3882 -5.3882 -5.3506 -5.3506 -0.5853 -0.5853 -0.2464 -0.2464 0.0434 0.0434 0.0967 0.0967 1.0604 1.0604 1.0716 1.0716 1.3149 1.3149 1.4132 1.4132 1.9893 1.9893 2.0517 2.0517 2.3019 2.3019 2.3282 2.3282 2.5463 2.5463 2.6068 2.6068 3.0315 3.0315 3.3170 3.3170 5.5721 5.5721 5.6831 5.6831 6.4739 6.4739 6.7548 6.7548 6.9354 6.9354 k = 0.5000-0.7349 0.2925 ( 14392 PWs) bands (ev): -8.3434 -8.3434 -8.2556 -8.2556 -8.1636 -8.1636 -8.0760 -8.0760 -6.8201 -6.8201 -6.7735 -6.7735 -5.3524 -5.3524 -5.3175 -5.3175 -0.4292 -0.4292 -0.3880 -0.3880 0.0052 0.0052 0.0480 0.0480 0.7775 0.7775 0.9568 0.9568 1.2005 1.2005 1.5418 1.5418 1.7925 1.7925 2.0248 2.0248 2.2909 2.2909 2.4761 2.4761 2.5998 2.5998 2.9248 2.9248 3.5265 3.5265 3.6933 3.6933 5.4252 5.4252 5.5739 5.5739 6.4805 6.4805 6.6053 6.6053 6.7924 6.7924 k = 0.4875-0.7165 0.2852 ( 14387 PWs) bands (ev): -8.3458 -8.3458 -8.2569 -8.2569 -8.1635 -8.1635 -8.0762 -8.0762 -6.8247 -6.8247 -6.7664 -6.7664 -5.3795 -5.3795 -5.2891 -5.2891 -0.4299 -0.4299 -0.3843 -0.3843 0.0021 0.0021 0.0489 0.0489 0.7762 0.7762 0.9599 0.9599 1.2015 1.2015 1.5433 1.5433 1.7941 1.7941 2.0257 2.0257 2.2910 2.2910 2.4770 2.4770 2.6009 2.6009 2.9250 2.9250 3.5239 3.5239 3.6940 3.6940 5.4241 5.4241 5.5756 5.5756 6.4759 6.4759 6.6079 6.6079 6.7933 6.7933 k = 0.4750-0.6981 0.2779 ( 14387 PWs) bands (ev): -8.3530 -8.3530 -8.2609 -8.2609 -8.1630 -8.1630 -8.0768 -8.0768 -6.8339 -6.8339 -6.7498 -6.7498 -5.4174 -5.4174 -5.2474 -5.2474 -0.4311 -0.4311 -0.3743 -0.3743 -0.0063 -0.0063 0.0509 0.0509 0.7724 0.7724 0.9688 0.9688 1.2047 1.2047 1.5479 1.5479 1.7990 1.7990 2.0284 2.0284 2.2913 2.2913 2.4796 2.4796 2.6040 2.6040 2.9253 2.9253 3.5164 3.5164 3.6958 3.6958 5.4208 5.4208 5.5804 5.5804 6.4637 6.4637 6.6138 6.6138 6.7964 6.7964 k = 0.4625-0.6798 0.2705 ( 14389 PWs) bands (ev): -8.3645 -8.3645 -8.2674 -8.2674 -8.1623 -8.1623 -8.0779 -8.0779 -6.8432 -6.8432 -6.7283 -6.7283 -5.4546 -5.4546 -5.2036 -5.2036 -0.4312 -0.4312 -0.3596 -0.3596 -0.0182 -0.0182 0.0531 0.0531 0.7666 0.7666 0.9820 0.9820 1.2105 1.2105 1.5554 1.5554 1.8071 1.8071 2.0327 2.0327 2.2918 2.2918 2.4838 2.4838 2.6092 2.6092 2.9259 2.9259 3.5045 3.5045 3.6986 3.6986 5.4155 5.4155 5.5879 5.5879 6.4465 6.4465 6.6197 6.6197 6.8024 6.8024 k = 0.4500-0.6614 0.2632 ( 14384 PWs) bands (ev): -8.3800 -8.3800 -8.2766 -8.2766 -8.1617 -8.1617 -8.0793 -8.0793 -6.8512 -6.8512 -6.7039 -6.7039 -5.4902 -5.4902 -5.1589 -5.1589 -0.4293 -0.4293 -0.3412 -0.3412 -0.0321 -0.0321 0.0549 0.0549 0.7591 0.7591 0.9976 0.9976 1.2193 1.2193 1.5659 1.5659 1.8185 1.8185 2.0388 2.0388 2.2926 2.2926 2.4894 2.4894 2.6163 2.6163 2.9266 2.9266 3.4891 3.4891 3.7023 3.7023 5.4083 5.4083 5.5974 5.5974 6.4268 6.4268 6.6226 6.6226 6.8120 6.8120 k = 0.4375-0.6430 0.2559 ( 14392 PWs) bands (ev): -8.3989 -8.3989 -8.2882 -8.2882 -8.1613 -8.1613 -8.0813 -8.0813 -6.8578 -6.8578 -6.6771 -6.6771 -5.5236 -5.5236 -5.1136 -5.1136 -0.4250 -0.4250 -0.3199 -0.3199 -0.0471 -0.0471 0.0566 0.0566 0.7503 0.7503 1.0138 1.0138 1.2317 1.2317 1.5793 1.5793 1.8327 1.8327 2.0468 2.0468 2.2938 2.2938 2.4961 2.4961 2.6253 2.6253 2.9275 2.9275 3.4710 3.4710 3.7067 3.7067 5.3992 5.3992 5.6082 5.6082 6.4060 6.4060 6.6211 6.6211 6.8253 6.8253 k = 0.4250-0.6246 0.2486 ( 14387 PWs) bands (ev): -8.4208 -8.4208 -8.3021 -8.3021 -8.1612 -8.1612 -8.0836 -8.0836 -6.8630 -6.8630 -6.6485 -6.6485 -5.5548 -5.5548 -5.0679 -5.0679 -0.4183 -0.4183 -0.2960 -0.2960 -0.0619 -0.0619 0.0587 0.0587 0.7403 0.7403 1.0286 1.0286 1.2480 1.2480 1.5958 1.5958 1.8492 1.8492 2.0572 2.0572 2.2957 2.2957 2.5034 2.5034 2.6360 2.6360 2.9283 2.9283 3.4513 3.4513 3.7117 3.7117 5.3882 5.3882 5.6195 5.6195 6.3850 6.3850 6.6151 6.6151 6.8412 6.8412 k = 0.4125-0.6063 0.2413 ( 14385 PWs) bands (ev): -8.4451 -8.4451 -8.3181 -8.3181 -8.1616 -8.1616 -8.0863 -8.0863 -6.8671 -6.8671 -6.6185 -6.6185 -5.5833 -5.5833 -5.0219 -5.0219 -0.4091 -0.4091 -0.2704 -0.2704 -0.0755 -0.0755 0.0617 0.0617 0.7293 0.7293 1.0410 1.0410 1.2679 1.2679 1.6154 1.6154 1.8668 1.8668 2.0707 2.0707 2.2987 2.2987 2.5105 2.5105 2.6482 2.6482 2.9292 2.9292 3.4312 3.4312 3.7174 3.7174 5.3751 5.3751 5.6307 5.6307 6.3645 6.3645 6.6050 6.6050 6.8581 6.8581 k = 0.4000-0.5879 0.2340 ( 14389 PWs) bands (ev): -8.4716 -8.4716 -8.3359 -8.3359 -8.1625 -8.1625 -8.0895 -8.0895 -6.8705 -6.8705 -6.5875 -6.5875 -5.6090 -5.6090 -4.9759 -4.9759 -0.3975 -0.3975 -0.2440 -0.2440 -0.0863 -0.0863 0.0663 0.0663 0.7173 0.7173 1.0505 1.0505 1.2905 1.2905 1.6380 1.6380 1.8844 1.8844 2.0879 2.0879 2.3033 2.3033 2.5165 2.5165 2.6617 2.6617 2.9302 2.9302 3.4120 3.4120 3.7238 3.7238 5.3596 5.3596 5.6411 5.6411 6.3450 6.3450 6.5919 6.5919 6.8742 6.8742 k = 0.3875-0.5695 0.2267 ( 14388 PWs) bands (ev): -8.4998 -8.4998 -8.3553 -8.3553 -8.1639 -8.1639 -8.0931 -8.0931 -6.8736 -6.8736 -6.5558 -6.5558 -5.6316 -5.6316 -4.9301 -4.9301 -0.3836 -0.3836 -0.2188 -0.2188 -0.0922 -0.0922 0.0733 0.0733 0.7048 0.7048 1.0573 1.0573 1.3144 1.3144 1.6635 1.6635 1.9008 1.9008 2.1095 2.1095 2.3104 2.3104 2.5203 2.5203 2.6758 2.6758 2.9316 2.9316 3.3949 3.3949 3.7311 3.7311 5.3415 5.3415 5.6502 5.6502 6.3269 6.3269 6.5767 6.5767 6.8877 6.8877 k = 0.3750-0.5511 0.2194 ( 14389 PWs) bands (ev): -8.5294 -8.5294 -8.3761 -8.3761 -8.1657 -8.1657 -8.0970 -8.0970 -6.8768 -6.8768 -6.5237 -6.5237 -5.6511 -5.6511 -4.8845 -4.8845 -0.3675 -0.3675 -0.1979 -0.1979 -0.0896 -0.0896 0.0832 0.0832 0.6918 0.6918 1.0619 1.0619 1.3380 1.3380 1.6916 1.6916 1.9151 1.9151 2.1357 2.1357 2.3207 2.3207 2.5213 2.5213 2.6900 2.6900 2.9339 2.9339 3.3812 3.3812 3.7392 3.7392 5.3204 5.3204 5.6573 5.6573 6.3105 6.3105 6.5600 6.5600 6.8980 6.8980 k = 0.3625-0.5328 0.2120 ( 14395 PWs) bands (ev): -8.5601 -8.5601 -8.3979 -8.3979 -8.1680 -8.1680 -8.1013 -8.1013 -6.8804 -6.8804 -6.4915 -6.4915 -5.6674 -5.6674 -4.8393 -4.8393 -0.3493 -0.3493 -0.1846 -0.1846 -0.0753 -0.0753 0.0967 0.0967 0.6786 0.6786 1.0650 1.0650 1.3599 1.3599 1.7218 1.7218 1.9268 1.9268 2.1657 2.1657 2.3349 2.3349 2.5190 2.5190 2.7030 2.7030 2.9376 2.9376 3.3719 3.3719 3.7483 3.7483 5.2962 5.2962 5.6623 5.6623 6.2960 6.2960 6.5423 6.5423 6.9054 6.9054 k = 0.3500-0.5144 0.2047 ( 14394 PWs) bands (ev): -8.5916 -8.5916 -8.4206 -8.4206 -8.1707 -8.1707 -8.1059 -8.1059 -6.8847 -6.8847 -6.4595 -6.4595 -5.6803 -5.6803 -4.7947 -4.7947 -0.3291 -0.3291 -0.1779 -0.1779 -0.0501 -0.0501 0.1144 0.1144 0.6656 0.6656 1.0673 1.0673 1.3789 1.3789 1.7535 1.7535 1.9361 1.9361 2.1984 2.1984 2.3533 2.3533 2.5137 2.5137 2.7140 2.7140 2.9437 2.9437 3.3678 3.3678 3.7585 3.7585 5.2687 5.2687 5.6646 5.6646 6.2836 6.2836 6.5241 6.5241 6.9107 6.9107 k = 0.3375-0.4960 0.1974 ( 14397 PWs) bands (ev): -8.6237 -8.6237 -8.4439 -8.4439 -8.1738 -8.1738 -8.1108 -8.1108 -6.8901 -6.8901 -6.4280 -6.4280 -5.6899 -5.6899 -4.7507 -4.7507 -0.3071 -0.3071 -0.1740 -0.1740 -0.0182 -0.0182 0.1367 0.1367 0.6530 0.6530 1.0694 1.0694 1.3945 1.3945 1.7856 1.7856 1.9438 1.9438 2.2315 2.2315 2.3753 2.3753 2.5069 2.5069 2.7222 2.7222 2.9527 2.9527 3.3695 3.3695 3.7697 3.7697 5.2381 5.2381 5.6642 5.6642 6.2733 6.2733 6.5056 6.5056 6.9148 6.9148 k = 0.3250-0.4777 0.1901 ( 14394 PWs) bands (ev): -8.6561 -8.6561 -8.4676 -8.4676 -8.1773 -8.1773 -8.1159 -8.1159 -6.8965 -6.8965 -6.3971 -6.3971 -5.6964 -5.6964 -4.7075 -4.7075 -0.2833 -0.2833 -0.1697 -0.1697 0.0172 0.0172 0.1639 0.1639 0.6410 0.6410 1.0717 1.0717 1.4062 1.4062 1.8167 1.8167 1.9510 1.9510 2.2623 2.2623 2.3985 2.3985 2.5028 2.5028 2.7276 2.7276 2.9647 2.9647 3.3771 3.3771 3.7819 3.7819 5.2044 5.2044 5.6609 5.6609 6.2652 6.2652 6.4867 6.4867 6.9185 6.9185 k = 0.3125-0.4593 0.1828 ( 14390 PWs) bands (ev): -8.6887 -8.6887 -8.4915 -8.4915 -8.1810 -8.1810 -8.1213 -8.1213 -6.9042 -6.9042 -6.3670 -6.3670 -5.6999 -5.6999 -4.6652 -4.6652 -0.2578 -0.2578 -0.1633 -0.1633 0.0546 0.0546 0.1962 0.1962 0.6301 0.6301 1.0746 1.0746 1.4143 1.4143 1.8447 1.8447 1.9592 1.9592 2.2875 2.2875 2.4156 2.4156 2.5103 2.5103 2.7306 2.7306 2.9793 2.9793 3.3907 3.3907 3.7950 3.7950 5.1681 5.1681 5.6548 5.6548 6.2590 6.2590 6.4677 6.4677 6.9222 6.9222 k = 0.3000-0.4409 0.1755 ( 14397 PWs) bands (ev): -8.7211 -8.7211 -8.5155 -8.5155 -8.1850 -8.1850 -8.1268 -8.1268 -6.9132 -6.9132 -6.3379 -6.3379 -5.7005 -5.7005 -4.6238 -4.6238 -0.2308 -0.2308 -0.1538 -0.1538 0.0930 0.0930 0.2331 0.2331 0.6205 0.6205 1.0782 1.0782 1.4191 1.4191 1.8672 1.8672 1.9698 1.9698 2.3042 2.3042 2.4210 2.4210 2.5370 2.5370 2.7328 2.7328 2.9956 2.9956 3.4098 3.4098 3.8087 3.8087 5.1296 5.1296 5.6459 5.6459 6.2547 6.2547 6.4484 6.4484 6.9263 6.9263 k = 0.2875-0.4225 0.1682 ( 14396 PWs) bands (ev): -8.7533 -8.7533 -8.5393 -8.5393 -8.1891 -8.1891 -8.1325 -8.1325 -6.9234 -6.9234 -6.3099 -6.3099 -5.6987 -5.6987 -4.5836 -4.5836 -0.2022 -0.2022 -0.1408 -0.1408 0.1324 0.1324 0.2739 0.2739 0.6127 0.6127 1.0826 1.0826 1.4211 1.4211 1.8829 1.8829 1.9831 1.9831 2.3106 2.3106 2.4213 2.4213 2.5774 2.5774 2.7355 2.7355 3.0127 3.0127 3.4341 3.4341 3.8229 3.8229 5.0897 5.0897 5.6346 5.6346 6.2519 6.2519 6.4288 6.4288 6.9311 6.9311 k = 0.2750-0.4042 0.1609 ( 14388 PWs) bands (ev): -8.7850 -8.7850 -8.5629 -8.5629 -8.1935 -8.1935 -8.1383 -8.1383 -6.9347 -6.9347 -6.2830 -6.2830 -5.6946 -5.6946 -4.5445 -4.5445 -0.1722 -0.1722 -0.1237 -0.1237 0.1728 0.1728 0.3175 0.3175 0.6073 0.6073 1.0880 1.0880 1.4209 1.4209 1.8920 1.8920 1.9972 1.9972 2.3080 2.3080 2.4228 2.4228 2.6231 2.6231 2.7409 2.7409 3.0296 3.0296 3.4628 3.4628 3.8372 3.8372 5.0491 5.0491 5.6211 5.6211 6.2502 6.2502 6.4087 6.4087 6.9368 6.9368 k = 0.2625-0.3858 0.1536 ( 14386 PWs) bands (ev): -8.8162 -8.8162 -8.5861 -8.5861 -8.1979 -8.1979 -8.1442 -8.1442 -6.9470 -6.9470 -6.2574 -6.2574 -5.6887 -5.6887 -4.5067 -4.5067 -0.1414 -0.1414 -0.1019 -0.1019 0.2142 0.2142 0.3625 0.3625 0.6051 0.6051 1.0940 1.0940 1.4192 1.4192 1.8954 1.8954 2.0094 2.0094 2.3009 2.3009 2.4257 2.4257 2.6669 2.6669 2.7524 2.7524 3.0458 3.0458 3.4954 3.4954 3.8512 3.8512 5.0088 5.0088 5.6061 5.6061 6.2492 6.2492 6.3883 6.3883 6.9435 6.9435 k = 0.2500-0.3674 0.1462 ( 14385 PWs) bands (ev): -8.8466 -8.8466 -8.6087 -8.6087 -8.2024 -8.2024 -8.1501 -8.1501 -6.9601 -6.9601 -6.2331 -6.2331 -5.6813 -5.6813 -4.4703 -4.4703 -0.1103 -0.1103 -0.0750 -0.0750 0.2567 0.2567 0.4073 0.4073 0.6075 0.6075 1.1007 1.1007 1.4166 1.4166 1.8933 1.8933 2.0183 2.0183 2.2938 2.2938 2.4284 2.4284 2.6999 2.6999 2.7760 2.7760 3.0611 3.0611 3.5309 3.5309 3.8645 3.8645 4.9699 4.9699 5.5901 5.5901 6.2482 6.2482 6.3679 6.3679 6.9512 6.9512 k = 0.2375-0.3491 0.1389 ( 14376 PWs) bands (ev): -8.8762 -8.8762 -8.6307 -8.6307 -8.2070 -8.2070 -8.1561 -8.1561 -6.9739 -6.9739 -6.2102 -6.2102 -5.6727 -5.6727 -4.4353 -4.4353 -0.0789 -0.0789 -0.0429 -0.0429 0.2999 0.2999 0.4495 0.4495 0.6164 0.6164 1.1077 1.1077 1.4137 1.4137 1.8851 1.8851 2.0245 2.0245 2.2885 2.2885 2.4306 2.4306 2.7183 2.7183 2.8130 2.8130 3.0757 3.0757 3.5687 3.5687 3.8767 3.8767 4.9334 4.9334 5.5736 5.5736 6.2462 6.2462 6.3481 6.3481 6.9598 6.9598 k = 0.2250-0.3307 0.1316 ( 14366 PWs) bands (ev): -8.9049 -8.9049 -8.6520 -8.6520 -8.2116 -8.2116 -8.1619 -8.1619 -6.9881 -6.9881 -6.1886 -6.1886 -5.6633 -5.6633 -4.4017 -4.4017 -0.0468 -0.0468 -0.0063 -0.0063 0.3433 0.3433 0.4866 0.4866 0.6343 0.6343 1.1147 1.1147 1.4112 1.4112 1.8700 1.8700 2.0299 2.0299 2.2850 2.2850 2.4328 2.4328 2.7274 2.7274 2.8540 2.8540 3.0905 3.0905 3.6079 3.6079 3.8875 3.8875 4.9003 4.9003 5.5576 5.5576 6.2413 6.2413 6.3302 6.3302 6.9694 6.9694 k = 0.2125-0.3123 0.1243 ( 14371 PWs) bands (ev): -8.9325 -8.9325 -8.6725 -8.6725 -8.2161 -8.2161 -8.1677 -8.1677 -7.0026 -7.0026 -6.1683 -6.1683 -5.6533 -5.6533 -4.3698 -4.3698 -0.0134 -0.0134 0.0337 0.0337 0.3858 0.3858 0.5177 0.5177 0.6629 0.6629 1.1213 1.1213 1.4096 1.4096 1.8487 1.8487 2.0357 2.0357 2.2823 2.2823 2.4358 2.4358 2.7308 2.7308 2.8916 2.8916 3.1073 3.1073 3.6476 3.6476 3.8965 3.8965 4.8717 4.8717 5.5425 5.5425 6.2317 6.2317 6.3161 6.3161 6.9796 6.9796 k = 0.2000-0.2939 0.1170 ( 14376 PWs) bands (ev): -8.9589 -8.9589 -8.6922 -8.6922 -8.2206 -8.2206 -8.1734 -8.1734 -7.0171 -7.0171 -6.1494 -6.1494 -5.6430 -5.6430 -4.3394 -4.3394 0.0216 0.0216 0.0765 0.0765 0.4258 0.4258 0.5455 0.5455 0.7002 0.7002 1.1273 1.1273 1.4093 1.4093 1.8226 1.8226 2.0422 2.0422 2.2800 2.2800 2.4400 2.4400 2.7287 2.7287 2.9210 2.9210 3.1280 3.1280 3.6869 3.6869 3.9040 3.9040 4.8481 4.8481 5.5290 5.5290 6.2157 6.2157 6.3070 6.3070 6.9900 6.9900 k = 0.1875-0.2756 0.1097 ( 14379 PWs) bands (ev): -8.9841 -8.9841 -8.7109 -8.7109 -8.2250 -8.2250 -8.1789 -8.1789 -7.0316 -7.0316 -6.1318 -6.1318 -5.6327 -5.6327 -4.3107 -4.3107 0.0582 0.0582 0.1212 0.1212 0.4610 0.4610 0.5753 0.5753 0.7427 0.7427 1.1324 1.1324 1.4104 1.4104 1.7941 1.7941 2.0484 2.0484 2.2781 2.2781 2.4453 2.4453 2.7202 2.7202 2.9395 2.9395 3.1539 3.1539 3.7245 3.7245 3.9110 3.9110 4.8299 4.8299 5.5176 5.5176 6.1941 6.1941 6.3021 6.3021 7.0000 7.0000 k = 0.1750-0.2572 0.1024 ( 14383 PWs) bands (ev): -9.0079 -9.0079 -8.7286 -8.7286 -8.2293 -8.2293 -8.1843 -8.1843 -7.0457 -7.0457 -6.1156 -6.1156 -5.6225 -5.6225 -4.2837 -4.2837 0.0959 0.0959 0.1673 0.1673 0.4906 0.4906 0.6106 0.6106 0.7872 0.7872 1.1368 1.1368 1.4128 1.4128 1.7652 1.7652 2.0536 2.0536 2.2774 2.2774 2.4513 2.4513 2.7049 2.7049 2.9471 2.9471 3.1846 3.1846 3.7583 3.7583 3.9195 3.9195 4.8168 4.8168 5.5089 5.5089 6.1683 6.1683 6.3001 6.3001 7.0085 7.0085 k = 0.1625-0.2388 0.0951 ( 14387 PWs) bands (ev): -9.0304 -9.0304 -8.7453 -8.7453 -8.2334 -8.2334 -8.1894 -8.1894 -7.0595 -7.0595 -6.1006 -6.1006 -5.6126 -5.6126 -4.2585 -4.2585 0.1343 0.1343 0.2139 0.2139 0.5161 0.5161 0.6518 0.6518 0.8311 0.8311 1.1406 1.1406 1.4159 1.4159 1.7377 1.7377 2.0571 2.0571 2.2783 2.2783 2.4574 2.4574 2.6824 2.6824 2.9451 2.9451 3.2179 3.2179 3.7853 3.7853 3.9329 3.9329 4.8082 4.8082 5.5029 5.5029 6.1394 6.1394 6.2996 6.2996 7.0137 7.0137 k = 0.1500-0.2205 0.0877 ( 14395 PWs) bands (ev): -9.0514 -9.0514 -8.7608 -8.7608 -8.2374 -8.2374 -8.1942 -8.1942 -7.0727 -7.0727 -6.0870 -6.0870 -5.6032 -5.6032 -4.2351 -4.2351 0.1729 0.1729 0.2601 0.2601 0.5404 0.5404 0.6969 0.6969 0.8728 0.8728 1.1444 1.1444 1.4191 1.4191 1.7131 1.7131 2.0592 2.0592 2.2808 2.2808 2.4625 2.4625 2.6537 2.6537 2.9355 2.9355 3.2514 3.2514 3.8028 3.8028 3.9545 3.9545 4.8032 4.8032 5.4998 5.4998 6.1080 6.1080 6.3002 6.3002 7.0133 7.0133 k = 0.1375-0.2021 0.0804 ( 14406 PWs) bands (ev): -9.0710 -9.0710 -8.7753 -8.7753 -8.2411 -8.2411 -8.1988 -8.1988 -7.0852 -7.0852 -6.0746 -6.0746 -5.5943 -5.5943 -4.2134 -4.2134 0.2111 0.2111 0.3044 0.3044 0.5663 0.5663 0.7438 0.7438 0.9107 0.9107 1.1490 1.1490 1.4220 1.4220 1.6923 1.6923 2.0607 2.0607 2.2840 2.2840 2.4646 2.4646 2.6207 2.6207 2.9199 2.9199 3.2833 3.2833 3.8112 3.8112 3.9847 3.9847 4.8006 4.8006 5.4996 5.4996 6.0741 6.0741 6.3017 6.3017 7.0051 7.0051 k = 0.1250-0.1837 0.0731 ( 14399 PWs) bands (ev): -9.0890 -9.0890 -8.7886 -8.7886 -8.2447 -8.2447 -8.2031 -8.2031 -7.0969 -7.0969 -6.0634 -6.0634 -5.5860 -5.5860 -4.1936 -4.1936 0.2481 0.2481 0.3458 0.3458 0.5959 0.5959 0.7903 0.7903 0.9439 0.9439 1.1552 1.1552 1.4247 1.4247 1.6756 1.6756 2.0628 2.0628 2.2866 2.2866 2.4597 2.4597 2.5882 2.5882 2.8999 2.8999 3.3126 3.3126 3.8137 3.8137 4.0210 4.0210 4.7994 4.7994 5.5021 5.5021 6.0377 6.0377 6.3041 6.3041 6.9882 6.9882 k = 0.1125-0.1653 0.0658 ( 14395 PWs) bands (ev): -9.1054 -9.1054 -8.8008 -8.8008 -8.2479 -8.2479 -8.2071 -8.2071 -7.1078 -7.1078 -6.0534 -6.0534 -5.5784 -5.5784 -4.1757 -4.1757 0.2833 0.2833 0.3831 0.3831 0.6301 0.6301 0.8344 0.8344 0.9722 0.9722 1.1635 1.1635 1.4279 1.4279 1.6628 1.6628 2.0663 2.0663 2.2872 2.2872 2.4417 2.4417 2.5636 2.5636 2.8766 2.8766 3.3383 3.3383 3.8134 3.8134 4.0607 4.0607 4.7985 4.7985 5.5069 5.5069 5.9989 5.9989 6.3077 6.3077 6.9642 6.9642 k = 0.1000-0.1470 0.0585 ( 14400 PWs) bands (ev): -9.1202 -9.1202 -8.8117 -8.8117 -8.2509 -8.2509 -8.2107 -8.2107 -7.1177 -7.1177 -6.0445 -6.0445 -5.5716 -5.5716 -4.1596 -4.1596 0.3159 0.3159 0.4162 0.4162 0.6686 0.6686 0.8731 0.8731 0.9970 0.9970 1.1739 1.1739 1.4330 1.4330 1.6533 1.6533 2.0715 2.0715 2.2832 2.2832 2.4091 2.4091 2.5508 2.5508 2.8515 2.8515 3.3603 3.3603 3.8124 3.8124 4.1017 4.1017 4.7971 4.7971 5.5137 5.5137 5.9580 5.9580 6.3122 6.3122 6.9360 6.9360 k = 0.0875-0.1286 0.0512 ( 14405 PWs) bands (ev): -9.1333 -9.1333 -8.8213 -8.8213 -8.2536 -8.2536 -8.2139 -8.2139 -7.1266 -7.1266 -6.0368 -6.0368 -5.5656 -5.5656 -4.1454 -4.1454 0.3453 0.3453 0.4453 0.4453 0.7098 0.7098 0.9031 0.9031 1.0213 1.0213 1.1862 1.1862 1.4412 1.4412 1.6467 1.6467 2.0779 2.0779 2.2690 2.2690 2.3730 2.3730 2.5457 2.5457 2.8259 2.8259 3.3785 3.3785 3.8118 3.8118 4.1426 4.1426 4.7949 4.7949 5.5221 5.5221 5.9155 5.9155 6.3176 6.3176 6.9071 6.9071 k = 0.0750-0.1102 0.0439 ( 14417 PWs) bands (ev): -9.1447 -9.1447 -8.8298 -8.8298 -8.2560 -8.2560 -8.2167 -8.2167 -7.1345 -7.1345 -6.0302 -6.0302 -5.5603 -5.5603 -4.1331 -4.1331 0.3708 0.3708 0.4714 0.4714 0.7510 0.7510 0.9233 0.9233 1.0461 1.0461 1.2000 1.2000 1.4527 1.4527 1.6432 1.6432 2.0838 2.0838 2.2364 2.2364 2.3485 2.3485 2.5432 2.5432 2.8010 2.8010 3.3931 3.3931 3.8122 3.8122 4.1823 4.1823 4.7915 4.7915 5.5317 5.5317 5.8727 5.8727 6.3233 6.3233 6.8798 6.8798 k = 0.0625-0.0919 0.0366 ( 14416 PWs) bands (ev): -9.1544 -9.1544 -8.8369 -8.8369 -8.2580 -8.2580 -8.2191 -8.2191 -7.1412 -7.1412 -6.0247 -6.0247 -5.5558 -5.5558 -4.1227 -4.1227 0.3921 0.3921 0.4948 0.4948 0.7882 0.7882 0.9373 0.9373 1.0685 1.0685 1.2163 1.2163 1.4665 1.4665 1.6440 1.6440 2.0862 2.0862 2.1888 2.1888 2.3385 2.3385 2.5413 2.5413 2.7778 2.7778 3.4045 3.4045 3.8135 3.8135 4.2194 4.2194 4.7870 4.7870 5.5421 5.5421 5.8308 5.8308 6.3290 6.3290 6.8558 6.8558 k = 0.0500-0.0735 0.0292 ( 14421 PWs) bands (ev): -9.1624 -9.1624 -8.8428 -8.8428 -8.2597 -8.2597 -8.2211 -8.2211 -7.1467 -7.1467 -6.0202 -6.0202 -5.5522 -5.5522 -4.1141 -4.1141 0.4091 0.4091 0.5158 0.5158 0.8166 0.8166 0.9516 0.9516 1.0842 1.0842 1.2354 1.2354 1.4801 1.4801 1.6513 1.6513 2.0763 2.0763 2.1436 2.1436 2.3362 2.3362 2.5399 2.5399 2.7569 2.7569 3.4130 3.4130 3.8155 3.8155 4.2529 4.2529 4.7818 4.7818 5.5528 5.5528 5.7918 5.7918 6.3342 6.3342 6.8359 6.8359 k = 0.0375-0.0551 0.0219 ( 14425 PWs) bands (ev): -9.1686 -9.1686 -8.8474 -8.8474 -8.2610 -8.2610 -8.2227 -8.2227 -7.1510 -7.1510 -6.0167 -6.0167 -5.5493 -5.5493 -4.1075 -4.1075 0.4219 0.4219 0.5338 0.5338 0.8332 0.8332 0.9708 0.9708 1.0912 1.0912 1.2561 1.2561 1.4908 1.4908 1.6667 1.6667 2.0390 2.0390 2.1224 2.1224 2.3372 2.3372 2.5394 2.5394 2.7388 2.7388 3.4191 3.4191 3.8178 3.8178 4.2813 4.2813 4.7764 4.7764 5.5632 5.5632 5.7575 5.7575 6.3384 6.3384 6.8206 6.8206 k = 0.0250-0.0367 0.0146 ( 14428 PWs) bands (ev): -9.1730 -9.1730 -8.8506 -8.8506 -8.2620 -8.2620 -8.2238 -8.2238 -7.1541 -7.1541 -6.0142 -6.0142 -5.5473 -5.5473 -4.1028 -4.1028 0.4309 0.4309 0.5478 0.5478 0.8398 0.8398 0.9933 0.9933 1.0904 1.0904 1.2748 1.2748 1.4970 1.4970 1.6896 1.6896 1.9893 1.9893 2.1164 2.1164 2.3391 2.3391 2.5400 2.5400 2.7244 2.7244 3.4232 3.4232 3.8200 3.8200 4.3031 4.3031 4.7716 4.7716 5.5726 5.5726 5.7299 5.7299 6.3414 6.3414 6.8097 6.8097 k = 0.0125-0.0184 0.0073 ( 14433 PWs) bands (ev): -9.1757 -9.1757 -8.8526 -8.8526 -8.2626 -8.2626 -8.2245 -8.2245 -7.1560 -7.1560 -6.0127 -6.0127 -5.5461 -5.5461 -4.0999 -4.0999 0.4361 0.4361 0.5568 0.5568 0.8414 0.8414 1.0133 1.0133 1.0849 1.0849 1.2879 1.2879 1.4996 1.4996 1.7135 1.7135 1.9475 1.9475 2.1141 2.1141 2.3407 2.3407 2.5412 2.5412 2.7148 2.7148 3.4255 3.4255 3.8214 3.8214 4.3169 4.3169 4.7683 4.7683 5.5795 5.5795 5.7117 5.7117 6.3433 6.3433 6.8033 6.8033 k = 0.0000 0.0000 0.0000 ( 14449 PWs) bands (ev): -9.1766 -9.1766 -8.8533 -8.8533 -8.2628 -8.2628 -8.2247 -8.2247 -7.1567 -7.1567 -6.0122 -6.0122 -5.5457 -5.5457 -4.0990 -4.0990 0.4379 0.4379 0.5600 0.5600 0.8415 0.8415 1.0220 1.0220 1.0812 1.0812 1.2927 1.2927 1.5002 1.5002 1.7247 1.7247 1.9302 1.9302 2.1133 2.1133 2.3412 2.3412 2.5418 2.5418 2.7114 2.7114 3.4262 3.4262 3.8220 3.8220 4.3217 4.3217 4.7671 4.7671 5.5822 5.5822 5.7051 5.7051 6.3439 6.3439 6.8012 6.8012 Writing output data file BiI.save init_run : 0.24s CPU 0.38s WALL ( 1 calls) electrons : 593.37s CPU 616.73s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.05s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 593.37s CPU 616.72s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.15s WALL ( 293 calls) cegterg : 554.49s CPU 576.08s WALL ( 567 calls) Called by sum_band: Called by *egterg: h_psi : 451.77s CPU 476.95s WALL ( 7991 calls) g_psi : 1.75s CPU 1.72s WALL ( 7131 calls) cdiaghg : 70.05s CPU 67.77s WALL ( 7424 calls) cegterg:over : 26.60s CPU 24.79s WALL ( 7131 calls) cegterg:upda : 13.63s CPU 15.86s WALL ( 7131 calls) cegterg:last : 8.60s CPU 9.26s WALL ( 1736 calls) Called by h_psi: h_psi:vloc : 430.05s CPU 451.49s WALL ( 7991 calls) h_psi:vnl : 21.38s CPU 24.70s WALL ( 7991 calls) add_vuspsi : 9.12s CPU 10.97s WALL ( 7991 calls) General routines calbec : 12.25s CPU 13.71s WALL ( 7991 calls) fft : 0.01s CPU 0.03s WALL ( 13 calls) fftw : 424.84s CPU 427.78s WALL ( 1087084 calls) davcio : 0.07s CPU 0.28s WALL ( 586 calls) Parallel routines fft_scatter : 365.59s CPU 175.93s WALL ( 1087097 calls) PWSCF : 10m34.00s CPU 11m16.56s WALL This run was terminated on: 0:58:31 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=