Program PWSCF v.5.1.1 starts on 25Nov2015 at 11:12:21 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BixBO2x3.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 34 19 5 1539 667 102 Max 35 20 6 1548 691 109 Sum 1633 937 273 74201 32629 5099 bravais-lattice index = 14 lattice parameter (alat) = 8.2218 a.u. unit-cell volume = 749.7835 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.221840 celldm(2)= 1.000000 celldm(3)= 1.495353 celldm(4)= 0.218016 celldm(5)= 0.218016 celldm(6)= 0.352981 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.352981 0.935631 0.000000 ) a(3) = ( 0.326011 0.225447 1.441864 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.377265 -0.167115 ) b(2) = ( 0.000000 1.068798 -0.167115 ) b(3) = ( 0.000000 0.000000 0.693547 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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. # 3 for B read from file: /home/autes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Bi 5.00 208.98040 Bi( 1.00) B 3.00 10.81100 B( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0108696 0.0075167 -0.0036329), wk = 0.0029586 k( 3) = ( 0.0217391 0.0150333 -0.0072659), wk = 0.0029586 k( 4) = ( 0.0326087 0.0225500 -0.0108988), wk = 0.0029586 k( 5) = ( 0.0434783 0.0300666 -0.0145318), wk = 0.0029586 k( 6) = ( 0.0543478 0.0375833 -0.0181647), wk = 0.0029586 k( 7) = ( 0.0652174 0.0451000 -0.0217976), wk = 0.0029586 k( 8) = ( 0.0760870 0.0526166 -0.0254306), wk = 0.0029586 k( 9) = ( 0.0869565 0.0601333 -0.0290635), wk = 0.0029586 k( 10) = ( 0.0978261 0.0676499 -0.0326965), wk = 0.0029586 k( 11) = ( 0.1086957 0.0751666 -0.0363294), wk = 0.0029586 k( 12) = ( 0.1195652 0.0826833 -0.0399624), wk = 0.0029586 k( 13) = ( 0.1304348 0.0901999 -0.0435953), wk = 0.0029586 k( 14) = ( 0.1413043 0.0977166 -0.0472282), wk = 0.0029586 k( 15) = ( 0.1521739 0.1052332 -0.0508612), wk = 0.0029586 k( 16) = ( 0.1630435 0.1127499 -0.0544941), wk = 0.0029586 k( 17) = ( 0.1739130 0.1202666 -0.0581271), wk = 0.0029586 k( 18) = ( 0.1847826 0.1277832 -0.0617600), wk = 0.0029586 k( 19) = ( 0.1956522 0.1352999 -0.0653929), wk = 0.0029586 k( 20) = ( 0.2065217 0.1428165 -0.0690259), wk = 0.0029586 k( 21) = ( 0.2173913 0.1503332 -0.0726588), wk = 0.0029586 k( 22) = ( 0.2282609 0.1578499 -0.0762918), wk = 0.0029586 k( 23) = ( 0.2391304 0.1653665 -0.0799247), wk = 0.0029586 k( 24) = ( 0.2500000 0.1728832 -0.0835576), wk = 0.0029586 k( 25) = ( 0.2608696 0.1803999 -0.0871906), wk = 0.0029586 k( 26) = ( 0.2717391 0.1879165 -0.0908235), wk = 0.0029586 k( 27) = ( 0.2826087 0.1954332 -0.0944565), wk = 0.0029586 k( 28) = ( 0.2934783 0.2029498 -0.0980894), wk = 0.0029586 k( 29) = ( 0.3043478 0.2104665 -0.1017223), wk = 0.0029586 k( 30) = ( 0.3152174 0.2179832 -0.1053553), wk = 0.0029586 k( 31) = ( 0.3260870 0.2254998 -0.1089882), wk = 0.0029586 k( 32) = ( 0.3369565 0.2330165 -0.1126212), wk = 0.0029586 k( 33) = ( 0.3478261 0.2405331 -0.1162541), wk = 0.0029586 k( 34) = ( 0.3586956 0.2480498 -0.1198870), wk = 0.0029586 k( 35) = ( 0.3695652 0.2555665 -0.1235200), wk = 0.0029586 k( 36) = ( 0.3804348 0.2630831 -0.1271529), wk = 0.0029586 k( 37) = ( 0.3913044 0.2705998 -0.1307859), wk = 0.0029586 k( 38) = ( 0.4021739 0.2781164 -0.1344188), wk = 0.0029586 k( 39) = ( 0.4130435 0.2856331 -0.1380518), wk = 0.0029586 k( 40) = ( 0.4239130 0.2931498 -0.1416847), wk = 0.0029586 k( 41) = ( 0.4347826 0.3006664 -0.1453176), wk = 0.0029586 k( 42) = ( 0.4456522 0.3081831 -0.1489506), wk = 0.0029586 k( 43) = ( 0.4565217 0.3156997 -0.1525835), wk = 0.0029586 k( 44) = ( 0.4673913 0.3232164 -0.1562165), wk = 0.0029586 k( 45) = ( 0.4782609 0.3307331 -0.1598494), wk = 0.0029586 k( 46) = ( 0.4891304 0.3382497 -0.1634823), wk = 0.0029586 k( 47) = ( 0.5000000 0.3457664 -0.1671153), wk = 0.0029586 k( 48) = ( 0.5000000 0.3457664 -0.1671153), wk = 0.0029586 k( 49) = ( 0.5029015 0.3477729 -0.1542826), wk = 0.0029586 k( 50) = ( 0.5058031 0.3497794 -0.1414499), wk = 0.0029586 k( 51) = ( 0.5087046 0.3517859 -0.1286171), wk = 0.0029586 k( 52) = ( 0.5116061 0.3537924 -0.1157844), wk = 0.0029586 k( 53) = ( 0.5145076 0.3557989 -0.1029517), wk = 0.0029586 k( 54) = ( 0.5174091 0.3578054 -0.0901190), wk = 0.0029586 k( 55) = ( 0.5203107 0.3598119 -0.0772863), wk = 0.0029586 k( 56) = ( 0.5232122 0.3618184 -0.0644536), wk = 0.0029586 k( 57) = ( 0.5261137 0.3638249 -0.0516208), wk = 0.0029586 k( 58) = ( 0.5290153 0.3658314 -0.0387881), wk = 0.0029586 k( 59) = ( 0.5319168 0.3678379 -0.0259554), wk = 0.0029586 k( 60) = ( 0.5348183 0.3698444 -0.0131227), wk = 0.0029586 k( 61) = ( 0.5377198 0.3718509 -0.0002900), wk = 0.0029586 k( 62) = ( 0.5406214 0.3738574 0.0125427), wk = 0.0029586 k( 63) = ( 0.5406214 0.3738574 0.0125427), wk = 0.0029586 k( 64) = ( 0.5374966 0.3716965 0.0253978), wk = 0.0029586 k( 65) = ( 0.5343719 0.3695357 0.0382528), wk = 0.0029586 k( 66) = ( 0.5312472 0.3673748 0.0511078), wk = 0.0029586 k( 67) = ( 0.5281225 0.3652140 0.0639628), wk = 0.0029586 k( 68) = ( 0.5249978 0.3630532 0.0768178), wk = 0.0029586 k( 69) = ( 0.5218730 0.3608923 0.0896729), wk = 0.0029586 k( 70) = ( 0.5187483 0.3587315 0.1025279), wk = 0.0029586 k( 71) = ( 0.5156236 0.3565706 0.1153829), wk = 0.0029586 k( 72) = ( 0.5124989 0.3544098 0.1282379), wk = 0.0029586 k( 73) = ( 0.5093742 0.3522489 0.1410929), wk = 0.0029586 k( 74) = ( 0.5062494 0.3500881 0.1539480), wk = 0.0029586 k( 75) = ( 0.5031247 0.3479272 0.1668030), wk = 0.0029586 k( 76) = ( 0.5000000 0.3457664 0.1796580), wk = 0.0029586 k( 77) = ( 0.5000000 0.3457664 0.1796580), wk = 0.0029586 k( 78) = ( 0.5075670 0.3348241 0.1796580), wk = 0.0029586 k( 79) = ( 0.5151339 0.3238818 0.1796580), wk = 0.0029586 k( 80) = ( 0.5227009 0.3129394 0.1796580), wk = 0.0029586 k( 81) = ( 0.5302679 0.3019971 0.1796580), wk = 0.0029586 k( 82) = ( 0.5378348 0.2910548 0.1796580), wk = 0.0029586 k( 83) = ( 0.5454018 0.2801125 0.1796580), wk = 0.0029586 k( 84) = ( 0.5529688 0.2691702 0.1796580), wk = 0.0029586 k( 85) = ( 0.5605357 0.2582279 0.1796580), wk = 0.0029586 k( 86) = ( 0.5681027 0.2472856 0.1796580), wk = 0.0029586 k( 87) = ( 0.5756697 0.2363433 0.1796580), wk = 0.0029586 k( 88) = ( 0.5832366 0.2254010 0.1796580), wk = 0.0029586 k( 89) = ( 0.5908036 0.2144587 0.1796580), wk = 0.0029586 k( 90) = ( 0.5983705 0.2035164 0.1796580), wk = 0.0029586 k( 91) = ( 0.6059375 0.1925740 0.1796580), wk = 0.0029586 k( 92) = ( 0.6135045 0.1816317 0.1796580), wk = 0.0029586 k( 93) = ( 0.6210714 0.1706894 0.1796580), wk = 0.0029586 k( 94) = ( 0.6286384 0.1597471 0.1796580), wk = 0.0029586 k( 95) = ( 0.6362054 0.1488048 0.1796580), wk = 0.0029586 k( 96) = ( 0.6437723 0.1378625 0.1796580), wk = 0.0029586 k( 97) = ( 0.6513393 0.1269202 0.1796580), wk = 0.0029586 k( 98) = ( 0.6589063 0.1159779 0.1796580), wk = 0.0029586 k( 99) = ( 0.3410937 -0.4932430 0.3467733), wk = 0.0029586 k( 100) = ( 0.3333416 -0.4820330 0.3467733), wk = 0.0029586 k( 101) = ( 0.3255895 -0.4708229 0.3467733), wk = 0.0029586 k( 102) = ( 0.3178373 -0.4596128 0.3467733), wk = 0.0029586 k( 103) = ( 0.3100852 -0.4484028 0.3467733), wk = 0.0029586 k( 104) = ( 0.3023331 -0.4371927 0.3467733), wk = 0.0029586 k( 105) = ( 0.2945810 -0.4259826 0.3467733), wk = 0.0029586 k( 106) = ( 0.2868288 -0.4147726 0.3467733), wk = 0.0029586 k( 107) = ( 0.2790767 -0.4035625 0.3467733), wk = 0.0029586 k( 108) = ( 0.2713246 -0.3923524 0.3467733), wk = 0.0029586 k( 109) = ( 0.2635724 -0.3811423 0.3467733), wk = 0.0029586 k( 110) = ( 0.2558203 -0.3699323 0.3467733), wk = 0.0029586 k( 111) = ( 0.2480682 -0.3587222 0.3467733), wk = 0.0029586 k( 112) = ( 0.2403160 -0.3475121 0.3467733), wk = 0.0029586 k( 113) = ( 0.2325639 -0.3363021 0.3467733), wk = 0.0029586 k( 114) = ( 0.2248118 -0.3250920 0.3467733), wk = 0.0029586 k( 115) = ( 0.2170596 -0.3138819 0.3467733), wk = 0.0029586 k( 116) = ( 0.2093075 -0.3026719 0.3467733), wk = 0.0029586 k( 117) = ( 0.2015554 -0.2914618 0.3467733), wk = 0.0029586 k( 118) = ( 0.1938033 -0.2802517 0.3467733), wk = 0.0029586 k( 119) = ( 0.1860511 -0.2690417 0.3467733), wk = 0.0029586 k( 120) = ( 0.1782990 -0.2578316 0.3467733), wk = 0.0029586 k( 121) = ( 0.1705469 -0.2466215 0.3467733), wk = 0.0029586 k( 122) = ( 0.1627947 -0.2354114 0.3467733), wk = 0.0029586 k( 123) = ( 0.1550426 -0.2242014 0.3467733), wk = 0.0029586 k( 124) = ( 0.1472905 -0.2129913 0.3467733), wk = 0.0029586 k( 125) = ( 0.1395383 -0.2017812 0.3467733), wk = 0.0029586 k( 126) = ( 0.1317862 -0.1905712 0.3467733), wk = 0.0029586 k( 127) = ( 0.1240341 -0.1793611 0.3467733), wk = 0.0029586 k( 128) = ( 0.1162819 -0.1681510 0.3467733), wk = 0.0029586 k( 129) = ( 0.1085298 -0.1569410 0.3467733), wk = 0.0029586 k( 130) = ( 0.1007777 -0.1457309 0.3467733), wk = 0.0029586 k( 131) = ( 0.0930256 -0.1345208 0.3467733), wk = 0.0029586 k( 132) = ( 0.0852734 -0.1233108 0.3467733), wk = 0.0029586 k( 133) = ( 0.0775213 -0.1121007 0.3467733), wk = 0.0029586 k( 134) = ( 0.0697692 -0.1008906 0.3467733), wk = 0.0029586 k( 135) = ( 0.0620170 -0.0896806 0.3467733), wk = 0.0029586 k( 136) = ( 0.0542649 -0.0784705 0.3467733), wk = 0.0029586 k( 137) = ( 0.0465128 -0.0672604 0.3467733), wk = 0.0029586 k( 138) = ( 0.0387607 -0.0560503 0.3467733), wk = 0.0029586 k( 139) = ( 0.0310085 -0.0448403 0.3467733), wk = 0.0029586 k( 140) = ( 0.0232564 -0.0336302 0.3467733), wk = 0.0029586 k( 141) = ( 0.0155043 -0.0224201 0.3467733), wk = 0.0029586 k( 142) = ( 0.0077521 -0.0112101 0.3467733), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.3467733), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.3467733), wk = 0.0029586 k( 145) = ( 0.0112044 0.0077482 0.3467733), wk = 0.0029586 k( 146) = ( 0.0224087 0.0154964 0.3467733), wk = 0.0029586 k( 147) = ( 0.0336131 0.0232445 0.3467733), wk = 0.0029586 k( 148) = ( 0.0448174 0.0309927 0.3467733), wk = 0.0029586 k( 149) = ( 0.0560218 0.0387409 0.3467733), wk = 0.0029586 k( 150) = ( 0.0672261 0.0464891 0.3467733), wk = 0.0029586 k( 151) = ( 0.0784305 0.0542373 0.3467733), wk = 0.0029586 k( 152) = ( 0.0896349 0.0619854 0.3467733), wk = 0.0029586 k( 153) = ( 0.1008392 0.0697336 0.3467733), wk = 0.0029586 k( 154) = ( 0.1120436 0.0774818 0.3467733), wk = 0.0029586 k( 155) = ( 0.1232479 0.0852300 0.3467733), wk = 0.0029586 k( 156) = ( 0.1344523 0.0929782 0.3467733), wk = 0.0029586 k( 157) = ( 0.1456566 0.1007263 0.3467733), wk = 0.0029586 k( 158) = ( 0.1568610 0.1084745 0.3467733), wk = 0.0029586 k( 159) = ( 0.1680654 0.1162227 0.3467733), wk = 0.0029586 k( 160) = ( 0.1792697 0.1239709 0.3467733), wk = 0.0029586 k( 161) = ( 0.1904741 0.1317191 0.3467733), wk = 0.0029586 k( 162) = ( 0.2016784 0.1394672 0.3467733), wk = 0.0029586 k( 163) = ( 0.2128828 0.1472154 0.3467733), wk = 0.0029586 k( 164) = ( 0.2240871 0.1549636 0.3467733), wk = 0.0029586 k( 165) = ( 0.2352915 0.1627118 0.3467733), wk = 0.0029586 k( 166) = ( 0.2464959 0.1704600 0.3467733), wk = 0.0029586 k( 167) = ( 0.2577002 0.1782081 0.3467733), wk = 0.0029586 k( 168) = ( 0.2689046 0.1859563 0.3467733), wk = 0.0029586 k( 169) = ( 0.2801089 0.1937045 0.3467733), wk = 0.0029586 k( 170) = ( 0.2913133 0.2014527 0.3467733), wk = 0.0029586 k( 171) = ( 0.3025176 0.2092009 0.3467733), wk = 0.0029586 k( 172) = ( 0.3137220 0.2169490 0.3467733), wk = 0.0029586 k( 173) = ( 0.3249264 0.2246972 0.3467733), wk = 0.0029586 k( 174) = ( 0.3361307 0.2324454 0.3467733), wk = 0.0029586 k( 175) = ( 0.3473351 0.2401936 0.3467733), wk = 0.0029586 k( 176) = ( 0.3585394 0.2479418 0.3467733), wk = 0.0029586 k( 177) = ( 0.3697438 0.2556899 0.3467733), wk = 0.0029586 k( 178) = ( 0.3809481 0.2634381 0.3467733), wk = 0.0029586 k( 179) = ( 0.3921525 0.2711863 0.3467733), wk = 0.0029586 k( 180) = ( 0.4033569 0.2789345 0.3467733), wk = 0.0029586 k( 181) = ( 0.4145612 0.2866827 0.3467733), wk = 0.0029586 k( 182) = ( 0.4257656 0.2944308 0.3467733), wk = 0.0029586 k( 183) = ( 0.4369699 0.3021790 0.3467733), wk = 0.0029586 k( 184) = ( 0.4481743 0.3099272 0.3467733), wk = 0.0029586 k( 185) = ( 0.4593786 0.3176754 0.3467733), wk = 0.0029586 k( 186) = ( 0.5000000 0.3457664 -0.1671153), wk = 0.0029586 k( 187) = ( 0.5075882 0.3347934 -0.1671153), wk = 0.0029586 k( 188) = ( 0.5151763 0.3238204 -0.1671153), wk = 0.0029586 k( 189) = ( 0.5227645 0.3128475 -0.1671153), wk = 0.0029586 k( 190) = ( 0.5303527 0.3018745 -0.1671153), wk = 0.0029586 k( 191) = ( 0.5379409 0.2909015 -0.1671153), wk = 0.0029586 k( 192) = ( 0.5455290 0.2799285 -0.1671153), wk = 0.0029586 k( 193) = ( 0.5531172 0.2689555 -0.1671153), wk = 0.0029586 k( 194) = ( 0.5607054 0.2579826 -0.1671153), wk = 0.0029586 k( 195) = ( 0.5682936 0.2470096 -0.1671153), wk = 0.0029586 k( 196) = ( 0.5758817 0.2360366 -0.1671153), wk = 0.0029586 k( 197) = ( 0.5834699 0.2250636 -0.1671153), wk = 0.0029586 k( 198) = ( 0.5910581 0.2140906 -0.1671153), wk = 0.0029586 k( 199) = ( 0.5986463 0.2031177 -0.1671153), wk = 0.0029586 k( 200) = ( 0.6062344 0.1921447 -0.1671153), wk = 0.0029586 k( 201) = ( 0.6138226 0.1811717 -0.1671153), wk = 0.0029586 k( 202) = ( 0.6214108 0.1701987 -0.1671153), wk = 0.0029586 k( 203) = ( 0.3785892 -0.5474639 -0.0000000), wk = 0.0029586 k( 204) = ( 0.3708629 -0.5362911 -0.0000000), wk = 0.0029586 k( 205) = ( 0.3631366 -0.5251184 -0.0000000), wk = 0.0029586 k( 206) = ( 0.3554103 -0.5139457 -0.0000000), wk = 0.0029586 k( 207) = ( 0.3476840 -0.5027730 -0.0000000), wk = 0.0029586 k( 208) = ( 0.3399577 -0.4916002 -0.0000000), wk = 0.0029586 k( 209) = ( 0.3322313 -0.4804275 -0.0000000), wk = 0.0029586 k( 210) = ( 0.3245050 -0.4692548 -0.0000000), wk = 0.0029586 k( 211) = ( 0.3167787 -0.4580820 -0.0000000), wk = 0.0029586 k( 212) = ( 0.3090524 -0.4469093 -0.0000000), wk = 0.0029586 k( 213) = ( 0.3013261 -0.4357366 -0.0000000), wk = 0.0029586 k( 214) = ( 0.2935998 -0.4245638 -0.0000000), wk = 0.0029586 k( 215) = ( 0.2858735 -0.4133911 -0.0000000), wk = 0.0029586 k( 216) = ( 0.2781472 -0.4022184 -0.0000000), wk = 0.0029586 k( 217) = ( 0.2704209 -0.3910456 -0.0000000), wk = 0.0029586 k( 218) = ( 0.2626946 -0.3798729 -0.0000000), wk = 0.0029586 k( 219) = ( 0.2549682 -0.3687002 -0.0000000), wk = 0.0029586 k( 220) = ( 0.2472419 -0.3575274 -0.0000000), wk = 0.0029586 k( 221) = ( 0.2395156 -0.3463547 -0.0000000), wk = 0.0029586 k( 222) = ( 0.2317893 -0.3351820 -0.0000000), wk = 0.0029586 k( 223) = ( 0.2240630 -0.3240092 -0.0000000), wk = 0.0029586 k( 224) = ( 0.2163367 -0.3128365 -0.0000000), wk = 0.0029586 k( 225) = ( 0.2086104 -0.3016638 -0.0000000), wk = 0.0029586 k( 226) = ( 0.2008841 -0.2904910 -0.0000000), wk = 0.0029586 k( 227) = ( 0.1931578 -0.2793183 -0.0000000), wk = 0.0029586 k( 228) = ( 0.1854314 -0.2681456 -0.0000000), wk = 0.0029586 k( 229) = ( 0.1777051 -0.2569728 -0.0000000), wk = 0.0029586 k( 230) = ( 0.1699788 -0.2458001 -0.0000000), wk = 0.0029586 k( 231) = ( 0.1622525 -0.2346274 -0.0000000), wk = 0.0029586 k( 232) = ( 0.1545262 -0.2234546 -0.0000000), wk = 0.0029586 k( 233) = ( 0.1467999 -0.2122819 -0.0000000), wk = 0.0029586 k( 234) = ( 0.1390736 -0.2011092 -0.0000000), wk = 0.0029586 k( 235) = ( 0.1313473 -0.1899365 -0.0000000), wk = 0.0029586 k( 236) = ( 0.1236210 -0.1787637 -0.0000000), wk = 0.0029586 k( 237) = ( 0.1158947 -0.1675910 -0.0000000), wk = 0.0029586 k( 238) = ( 0.1081683 -0.1564183 -0.0000000), wk = 0.0029586 k( 239) = ( 0.1004420 -0.1452455 -0.0000000), wk = 0.0029586 k( 240) = ( 0.0927157 -0.1340728 -0.0000000), wk = 0.0029586 k( 241) = ( 0.0849894 -0.1229000 -0.0000000), wk = 0.0029586 k( 242) = ( 0.0772631 -0.1117273 -0.0000000), wk = 0.0029586 k( 243) = ( 0.0695368 -0.1005546 -0.0000000), wk = 0.0029586 k( 244) = ( 0.0618105 -0.0893819 -0.0000000), wk = 0.0029586 k( 245) = ( 0.0540842 -0.0782091 -0.0000000), wk = 0.0029586 k( 246) = ( 0.0463579 -0.0670364 -0.0000000), wk = 0.0029586 k( 247) = ( 0.0386316 -0.0558637 -0.0000000), wk = 0.0029586 k( 248) = ( 0.0309052 -0.0446909 -0.0000000), wk = 0.0029586 k( 249) = ( 0.0231789 -0.0335182 -0.0000000), wk = 0.0029586 k( 250) = ( 0.0154526 -0.0223455 -0.0000000), wk = 0.0029586 k( 251) = ( 0.0077263 -0.0111727 -0.0000000), wk = 0.0029586 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 254) = ( 0.0125000 -0.0047158 -0.0020889), wk = 0.0029586 k( 255) = ( 0.0250000 -0.0094316 -0.0041779), wk = 0.0029586 k( 256) = ( 0.0375000 -0.0141474 -0.0062668), wk = 0.0029586 k( 257) = ( 0.0500000 -0.0188633 -0.0083558), wk = 0.0029586 k( 258) = ( 0.0625000 -0.0235791 -0.0104447), wk = 0.0029586 k( 259) = ( 0.0750000 -0.0282949 -0.0125336), wk = 0.0029586 k( 260) = ( 0.0875000 -0.0330107 -0.0146226), wk = 0.0029586 k( 261) = ( 0.1000000 -0.0377265 -0.0167115), wk = 0.0029586 k( 262) = ( 0.1125000 -0.0424423 -0.0188005), wk = 0.0029586 k( 263) = ( 0.1250000 -0.0471581 -0.0208894), wk = 0.0029586 k( 264) = ( 0.1375000 -0.0518740 -0.0229784), wk = 0.0029586 k( 265) = ( 0.1500000 -0.0565898 -0.0250673), wk = 0.0029586 k( 266) = ( 0.1625000 -0.0613056 -0.0271562), wk = 0.0029586 k( 267) = ( 0.1750000 -0.0660214 -0.0292452), wk = 0.0029586 k( 268) = ( 0.1875000 -0.0707372 -0.0313341), wk = 0.0029586 k( 269) = ( 0.2000000 -0.0754530 -0.0334231), wk = 0.0029586 k( 270) = ( 0.2125000 -0.0801688 -0.0355120), wk = 0.0029586 k( 271) = ( 0.2250000 -0.0848847 -0.0376009), wk = 0.0029586 k( 272) = ( 0.2375000 -0.0896005 -0.0396899), wk = 0.0029586 k( 273) = ( 0.2500000 -0.0943163 -0.0417788), wk = 0.0029586 k( 274) = ( 0.2625000 -0.0990321 -0.0438678), wk = 0.0029586 k( 275) = ( 0.2750000 -0.1037479 -0.0459567), wk = 0.0029586 k( 276) = ( 0.2875000 -0.1084637 -0.0480456), wk = 0.0029586 k( 277) = ( 0.3000000 -0.1131795 -0.0501346), wk = 0.0029586 k( 278) = ( 0.3125000 -0.1178954 -0.0522235), wk = 0.0029586 k( 279) = ( 0.3250000 -0.1226112 -0.0543125), wk = 0.0029586 k( 280) = ( 0.3375000 -0.1273270 -0.0564014), wk = 0.0029586 k( 281) = ( 0.3500000 -0.1320428 -0.0584903), wk = 0.0029586 k( 282) = ( 0.3625000 -0.1367586 -0.0605793), wk = 0.0029586 k( 283) = ( 0.3750000 -0.1414744 -0.0626682), wk = 0.0029586 k( 284) = ( 0.3875000 -0.1461902 -0.0647572), wk = 0.0029586 k( 285) = ( 0.4000000 -0.1509061 -0.0668461), wk = 0.0029586 k( 286) = ( 0.4125000 -0.1556219 -0.0689351), wk = 0.0029586 k( 287) = ( 0.4250000 -0.1603377 -0.0710240), wk = 0.0029586 k( 288) = ( 0.4375000 -0.1650535 -0.0731129), wk = 0.0029586 k( 289) = ( 0.4500000 -0.1697693 -0.0752019), wk = 0.0029586 k( 290) = ( 0.4625000 -0.1744851 -0.0772908), wk = 0.0029586 k( 291) = ( 0.4750000 -0.1792009 -0.0793798), wk = 0.0029586 k( 292) = ( 0.4875000 -0.1839168 -0.0814687), wk = 0.0029586 k( 293) = ( 0.5000000 -0.1886326 -0.0835576), wk = 0.0029586 k( 294) = ( 0.5000000 -0.1886326 0.2632157), wk = 0.0029586 k( 295) = ( 0.4886364 -0.1843455 0.2572335), wk = 0.0029586 k( 296) = ( 0.4772727 -0.1800584 0.2512513), wk = 0.0029586 k( 297) = ( 0.4659091 -0.1757713 0.2452691), wk = 0.0029586 k( 298) = ( 0.4545455 -0.1714842 0.2392870), wk = 0.0029586 k( 299) = ( 0.4431818 -0.1671971 0.2333048), wk = 0.0029586 k( 300) = ( 0.4318182 -0.1629100 0.2273226), wk = 0.0029586 k( 301) = ( 0.4204545 -0.1586229 0.2213404), wk = 0.0029586 k( 302) = ( 0.4090909 -0.1543357 0.2153583), wk = 0.0029586 k( 303) = ( 0.3977273 -0.1500486 0.2093761), wk = 0.0029586 k( 304) = ( 0.3863636 -0.1457615 0.2033939), wk = 0.0029586 k( 305) = ( 0.3750000 -0.1414744 0.1974117), wk = 0.0029586 k( 306) = ( 0.3636364 -0.1371873 0.1914296), wk = 0.0029586 k( 307) = ( 0.3522727 -0.1329002 0.1854474), wk = 0.0029586 k( 308) = ( 0.3409091 -0.1286131 0.1794652), wk = 0.0029586 k( 309) = ( 0.3295455 -0.1243260 0.1734830), wk = 0.0029586 k( 310) = ( 0.3181818 -0.1200389 0.1675009), wk = 0.0029586 k( 311) = ( 0.3068182 -0.1157518 0.1615187), wk = 0.0029586 k( 312) = ( 0.2954545 -0.1114647 0.1555365), wk = 0.0029586 k( 313) = ( 0.2840909 -0.1071776 0.1495543), wk = 0.0029586 k( 314) = ( 0.2727273 -0.1028905 0.1435722), wk = 0.0029586 k( 315) = ( 0.2613636 -0.0986034 0.1375900), wk = 0.0029586 k( 316) = ( 0.2500000 -0.0943163 0.1316078), wk = 0.0029586 k( 317) = ( 0.2386364 -0.0900292 0.1256257), wk = 0.0029586 k( 318) = ( 0.2272727 -0.0857421 0.1196435), wk = 0.0029586 k( 319) = ( 0.2159091 -0.0814550 0.1136613), wk = 0.0029586 k( 320) = ( 0.2045454 -0.0771679 0.1076791), wk = 0.0029586 k( 321) = ( 0.1931818 -0.0728808 0.1016970), wk = 0.0029586 k( 322) = ( 0.1818182 -0.0685937 0.0957148), wk = 0.0029586 k( 323) = ( 0.1704546 -0.0643066 0.0897326), wk = 0.0029586 k( 324) = ( 0.1590909 -0.0600195 0.0837504), wk = 0.0029586 k( 325) = ( 0.1477273 -0.0557324 0.0777683), wk = 0.0029586 k( 326) = ( 0.1363636 -0.0514453 0.0717861), wk = 0.0029586 k( 327) = ( 0.1250000 -0.0471581 0.0658039), wk = 0.0029586 k( 328) = ( 0.1136364 -0.0428710 0.0598217), wk = 0.0029586 k( 329) = ( 0.1022727 -0.0385839 0.0538396), wk = 0.0029586 k( 330) = ( 0.0909091 -0.0342968 0.0478574), wk = 0.0029586 k( 331) = ( 0.0795455 -0.0300097 0.0418752), wk = 0.0029586 k( 332) = ( 0.0681818 -0.0257226 0.0358930), wk = 0.0029586 k( 333) = ( 0.0568182 -0.0214355 0.0299109), wk = 0.0029586 k( 334) = ( 0.0454546 -0.0171484 0.0239287), wk = 0.0029586 k( 335) = ( 0.0340909 -0.0128613 0.0179465), wk = 0.0029586 k( 336) = ( 0.0227273 -0.0085742 0.0119643), wk = 0.0029586 k( 337) = ( 0.0113636 -0.0042871 0.0059822), wk = 0.0029586 k( 338) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0108696 0.0108696 -0.0000000), wk = 0.0029586 k( 3) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0029586 k( 4) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0029586 k( 5) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0029586 k( 6) = ( 0.0543478 0.0543478 0.0000000), wk = 0.0029586 k( 7) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0029586 k( 8) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0029586 k( 9) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0029586 k( 10) = ( 0.0978261 0.0978261 0.0000000), wk = 0.0029586 k( 11) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0029586 k( 12) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0029586 k( 13) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0029586 k( 14) = ( 0.1413043 0.1413044 0.0000000), wk = 0.0029586 k( 15) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0029586 k( 16) = ( 0.1630435 0.1630435 -0.0000000), wk = 0.0029586 k( 17) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0029586 k( 18) = ( 0.1847826 0.1847826 0.0000000), wk = 0.0029586 k( 19) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0029586 k( 20) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0029586 k( 21) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0029586 k( 22) = ( 0.2282609 0.2282609 -0.0000000), wk = 0.0029586 k( 23) = ( 0.2391304 0.2391304 -0.0000000), wk = 0.0029586 k( 24) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029586 k( 25) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0029586 k( 26) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0029586 k( 27) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0029586 k( 28) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0029586 k( 29) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0029586 k( 30) = ( 0.3152174 0.3152174 -0.0000000), wk = 0.0029586 k( 31) = ( 0.3260870 0.3260870 -0.0000000), wk = 0.0029586 k( 32) = ( 0.3369565 0.3369565 -0.0000000), wk = 0.0029586 k( 33) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0029586 k( 34) = ( 0.3586956 0.3586956 0.0000000), wk = 0.0029586 k( 35) = ( 0.3695652 0.3695652 0.0000000), wk = 0.0029586 k( 36) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0029586 k( 37) = ( 0.3913044 0.3913044 0.0000000), wk = 0.0029586 k( 38) = ( 0.4021739 0.4021739 -0.0000000), wk = 0.0029586 k( 39) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0029586 k( 40) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0029586 k( 41) = ( 0.4347826 0.4347826 -0.0000000), wk = 0.0029586 k( 42) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0029586 k( 43) = ( 0.4565217 0.4565217 -0.0000000), wk = 0.0029586 k( 44) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0029586 k( 45) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0029586 k( 46) = ( 0.4891304 0.4891304 -0.0000000), wk = 0.0029586 k( 47) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 49) = ( 0.5029015 0.5029015 0.0199013), wk = 0.0029586 k( 50) = ( 0.5058031 0.5058031 0.0398026), wk = 0.0029586 k( 51) = ( 0.5087046 0.5087046 0.0597040), wk = 0.0029586 k( 52) = ( 0.5116061 0.5116061 0.0796053), wk = 0.0029586 k( 53) = ( 0.5145076 0.5145076 0.0995066), wk = 0.0029586 k( 54) = ( 0.5174091 0.5174091 0.1194079), wk = 0.0029586 k( 55) = ( 0.5203107 0.5203107 0.1393092), wk = 0.0029586 k( 56) = ( 0.5232122 0.5232122 0.1592106), wk = 0.0029586 k( 57) = ( 0.5261137 0.5261137 0.1791119), wk = 0.0029586 k( 58) = ( 0.5290153 0.5290153 0.1990132), wk = 0.0029586 k( 59) = ( 0.5319168 0.5319168 0.2189145), wk = 0.0029586 k( 60) = ( 0.5348183 0.5348183 0.2388159), wk = 0.0029586 k( 61) = ( 0.5377198 0.5377198 0.2587172), wk = 0.0029586 k( 62) = ( 0.5406214 0.5406214 0.2786185), wk = 0.0029586 k( 63) = ( 0.5406214 0.5406214 0.2786185), wk = 0.0029586 k( 64) = ( 0.5374966 0.5374966 0.2956478), wk = 0.0029586 k( 65) = ( 0.5343719 0.5343719 0.3126772), wk = 0.0029586 k( 66) = ( 0.5312472 0.5312472 0.3297065), wk = 0.0029586 k( 67) = ( 0.5281225 0.5281225 0.3467359), wk = 0.0029586 k( 68) = ( 0.5249978 0.5249978 0.3637652), wk = 0.0029586 k( 69) = ( 0.5218730 0.5218730 0.3807946), wk = 0.0029586 k( 70) = ( 0.5187483 0.5187483 0.3978239), wk = 0.0029586 k( 71) = ( 0.5156236 0.5156236 0.4148533), wk = 0.0029586 k( 72) = ( 0.5124989 0.5124989 0.4318826), wk = 0.0029586 k( 73) = ( 0.5093742 0.5093742 0.4489120), wk = 0.0029586 k( 74) = ( 0.5062494 0.5062494 0.4659413), wk = 0.0029586 k( 75) = ( 0.5031247 0.5031247 0.4829707), wk = 0.0029586 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029586 k( 78) = ( 0.5075670 0.4924330 0.5000000), wk = 0.0029586 k( 79) = ( 0.5151339 0.4848661 0.5000000), wk = 0.0029586 k( 80) = ( 0.5227009 0.4772991 0.5000000), wk = 0.0029586 k( 81) = ( 0.5302679 0.4697321 0.5000000), wk = 0.0029586 k( 82) = ( 0.5378348 0.4621652 0.5000000), wk = 0.0029586 k( 83) = ( 0.5454018 0.4545982 0.5000000), wk = 0.0029586 k( 84) = ( 0.5529688 0.4470312 0.5000000), wk = 0.0029586 k( 85) = ( 0.5605357 0.4394643 0.5000000), wk = 0.0029586 k( 86) = ( 0.5681027 0.4318973 0.5000000), wk = 0.0029586 k( 87) = ( 0.5756697 0.4243304 0.5000000), wk = 0.0029586 k( 88) = ( 0.5832366 0.4167634 0.5000000), wk = 0.0029586 k( 89) = ( 0.5908036 0.4091964 0.5000000), wk = 0.0029586 k( 90) = ( 0.5983705 0.4016295 0.5000000), wk = 0.0029586 k( 91) = ( 0.6059375 0.3940625 0.5000000), wk = 0.0029586 k( 92) = ( 0.6135045 0.3864955 0.5000000), wk = 0.0029586 k( 93) = ( 0.6210714 0.3789286 0.5000000), wk = 0.0029586 k( 94) = ( 0.6286384 0.3713616 0.5000000), wk = 0.0029586 k( 95) = ( 0.6362054 0.3637946 0.5000000), wk = 0.0029586 k( 96) = ( 0.6437723 0.3562277 0.5000000), wk = 0.0029586 k( 97) = ( 0.6513393 0.3486607 0.5000000), wk = 0.0029586 k( 98) = ( 0.6589063 0.3410937 0.5000000), wk = 0.0029586 k( 99) = ( 0.3410937 -0.3410937 0.5000000), wk = 0.0029586 k( 100) = ( 0.3333416 -0.3333416 0.5000000), wk = 0.0029586 k( 101) = ( 0.3255895 -0.3255895 0.5000000), wk = 0.0029586 k( 102) = ( 0.3178373 -0.3178373 0.5000000), wk = 0.0029586 k( 103) = ( 0.3100852 -0.3100852 0.5000000), wk = 0.0029586 k( 104) = ( 0.3023331 -0.3023331 0.5000000), wk = 0.0029586 k( 105) = ( 0.2945810 -0.2945810 0.5000000), wk = 0.0029586 k( 106) = ( 0.2868288 -0.2868288 0.5000000), wk = 0.0029586 k( 107) = ( 0.2790767 -0.2790767 0.5000000), wk = 0.0029586 k( 108) = ( 0.2713246 -0.2713246 0.5000000), wk = 0.0029586 k( 109) = ( 0.2635724 -0.2635724 0.5000000), wk = 0.0029586 k( 110) = ( 0.2558203 -0.2558203 0.5000000), wk = 0.0029586 k( 111) = ( 0.2480682 -0.2480682 0.5000000), wk = 0.0029586 k( 112) = ( 0.2403160 -0.2403160 0.5000000), wk = 0.0029586 k( 113) = ( 0.2325639 -0.2325639 0.5000000), wk = 0.0029586 k( 114) = ( 0.2248118 -0.2248118 0.5000000), wk = 0.0029586 k( 115) = ( 0.2170596 -0.2170596 0.5000000), wk = 0.0029586 k( 116) = ( 0.2093075 -0.2093075 0.5000000), wk = 0.0029586 k( 117) = ( 0.2015554 -0.2015554 0.5000000), wk = 0.0029586 k( 118) = ( 0.1938033 -0.1938032 0.5000000), wk = 0.0029586 k( 119) = ( 0.1860511 -0.1860511 0.5000000), wk = 0.0029586 k( 120) = ( 0.1782990 -0.1782990 0.5000000), wk = 0.0029586 k( 121) = ( 0.1705469 -0.1705469 0.5000000), wk = 0.0029586 k( 122) = ( 0.1627947 -0.1627947 0.5000000), wk = 0.0029586 k( 123) = ( 0.1550426 -0.1550426 0.5000000), wk = 0.0029586 k( 124) = ( 0.1472905 -0.1472905 0.5000000), wk = 0.0029586 k( 125) = ( 0.1395383 -0.1395383 0.5000000), wk = 0.0029586 k( 126) = ( 0.1317862 -0.1317862 0.5000000), wk = 0.0029586 k( 127) = ( 0.1240341 -0.1240341 0.5000000), wk = 0.0029586 k( 128) = ( 0.1162819 -0.1162820 0.5000000), wk = 0.0029586 k( 129) = ( 0.1085298 -0.1085298 0.5000000), wk = 0.0029586 k( 130) = ( 0.1007777 -0.1007777 0.5000000), wk = 0.0029586 k( 131) = ( 0.0930256 -0.0930256 0.5000000), wk = 0.0029586 k( 132) = ( 0.0852734 -0.0852734 0.5000000), wk = 0.0029586 k( 133) = ( 0.0775213 -0.0775213 0.5000000), wk = 0.0029586 k( 134) = ( 0.0697692 -0.0697692 0.5000000), wk = 0.0029586 k( 135) = ( 0.0620170 -0.0620170 0.5000000), wk = 0.0029586 k( 136) = ( 0.0542649 -0.0542649 0.5000000), wk = 0.0029586 k( 137) = ( 0.0465128 -0.0465128 0.5000000), wk = 0.0029586 k( 138) = ( 0.0387607 -0.0387607 0.5000000), wk = 0.0029586 k( 139) = ( 0.0310085 -0.0310085 0.5000000), wk = 0.0029586 k( 140) = ( 0.0232564 -0.0232564 0.5000000), wk = 0.0029586 k( 141) = ( 0.0155043 -0.0155043 0.5000000), wk = 0.0029586 k( 142) = ( 0.0077521 -0.0077521 0.5000000), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 145) = ( 0.0112044 0.0112044 0.5053996), wk = 0.0029586 k( 146) = ( 0.0224087 0.0224087 0.5107991), wk = 0.0029586 k( 147) = ( 0.0336131 0.0336131 0.5161986), wk = 0.0029586 k( 148) = ( 0.0448174 0.0448174 0.5215982), wk = 0.0029586 k( 149) = ( 0.0560218 0.0560218 0.5269977), wk = 0.0029586 k( 150) = ( 0.0672261 0.0672261 0.5323973), wk = 0.0029586 k( 151) = ( 0.0784305 0.0784305 0.5377968), wk = 0.0029586 k( 152) = ( 0.0896349 0.0896349 0.5431964), wk = 0.0029586 k( 153) = ( 0.1008392 0.1008392 0.5485959), wk = 0.0029586 k( 154) = ( 0.1120436 0.1120436 0.5539955), wk = 0.0029586 k( 155) = ( 0.1232479 0.1232479 0.5593950), wk = 0.0029586 k( 156) = ( 0.1344523 0.1344523 0.5647946), wk = 0.0029586 k( 157) = ( 0.1456566 0.1456566 0.5701941), wk = 0.0029586 k( 158) = ( 0.1568610 0.1568610 0.5755937), wk = 0.0029586 k( 159) = ( 0.1680654 0.1680654 0.5809932), wk = 0.0029586 k( 160) = ( 0.1792697 0.1792697 0.5863928), wk = 0.0029586 k( 161) = ( 0.1904741 0.1904741 0.5917923), wk = 0.0029586 k( 162) = ( 0.2016784 0.2016784 0.5971919), wk = 0.0029586 k( 163) = ( 0.2128828 0.2128828 0.6025914), wk = 0.0029586 k( 164) = ( 0.2240871 0.2240871 0.6079910), wk = 0.0029586 k( 165) = ( 0.2352915 0.2352915 0.6133905), wk = 0.0029586 k( 166) = ( 0.2464959 0.2464959 0.6187901), wk = 0.0029586 k( 167) = ( 0.2577002 0.2577002 0.6241896), wk = 0.0029586 k( 168) = ( 0.2689046 0.2689046 0.6295892), wk = 0.0029586 k( 169) = ( 0.2801089 0.2801089 0.6349887), wk = 0.0029586 k( 170) = ( 0.2913133 0.2913133 0.6403883), wk = 0.0029586 k( 171) = ( 0.3025176 0.3025176 0.6457878), wk = 0.0029586 k( 172) = ( 0.3137220 0.3137220 0.6511874), wk = 0.0029586 k( 173) = ( 0.3249264 0.3249264 0.6565869), wk = 0.0029586 k( 174) = ( 0.3361307 0.3361307 0.6619865), wk = 0.0029586 k( 175) = ( 0.3473351 0.3473351 0.6673860), wk = 0.0029586 k( 176) = ( 0.3585394 0.3585394 0.6727856), wk = 0.0029586 k( 177) = ( 0.3697438 0.3697438 0.6781851), wk = 0.0029586 k( 178) = ( 0.3809481 0.3809482 0.6835847), wk = 0.0029586 k( 179) = ( 0.3921525 0.3921525 0.6889842), wk = 0.0029586 k( 180) = ( 0.4033569 0.4033569 0.6943838), wk = 0.0029586 k( 181) = ( 0.4145612 0.4145612 0.6997833), wk = 0.0029586 k( 182) = ( 0.4257656 0.4257656 0.7051829), wk = 0.0029586 k( 183) = ( 0.4369699 0.4369699 0.7105824), wk = 0.0029586 k( 184) = ( 0.4481743 0.4481743 0.7159819), wk = 0.0029586 k( 185) = ( 0.4593786 0.4593786 0.7213815), wk = 0.0029586 k( 186) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029586 k( 187) = ( 0.5075882 0.4924118 0.0000000), wk = 0.0029586 k( 188) = ( 0.5151763 0.4848237 -0.0000000), wk = 0.0029586 k( 189) = ( 0.5227645 0.4772355 0.0000000), wk = 0.0029586 k( 190) = ( 0.5303527 0.4696473 0.0000000), wk = 0.0029586 k( 191) = ( 0.5379409 0.4620591 0.0000000), wk = 0.0029586 k( 192) = ( 0.5455290 0.4544710 0.0000000), wk = 0.0029586 k( 193) = ( 0.5531172 0.4468828 0.0000000), wk = 0.0029586 k( 194) = ( 0.5607054 0.4392946 -0.0000000), wk = 0.0029586 k( 195) = ( 0.5682936 0.4317064 0.0000000), wk = 0.0029586 k( 196) = ( 0.5758817 0.4241183 0.0000000), wk = 0.0029586 k( 197) = ( 0.5834699 0.4165301 0.0000000), wk = 0.0029586 k( 198) = ( 0.5910581 0.4089419 0.0000000), wk = 0.0029586 k( 199) = ( 0.5986463 0.4013537 0.0000000), wk = 0.0029586 k( 200) = ( 0.6062344 0.3937656 0.0000000), wk = 0.0029586 k( 201) = ( 0.6138226 0.3861774 -0.0000000), wk = 0.0029586 k( 202) = ( 0.6214108 0.3785892 0.0000000), wk = 0.0029586 k( 203) = ( 0.3785892 -0.3785892 -0.0000000), wk = 0.0029586 k( 204) = ( 0.3708629 -0.3708629 0.0000000), wk = 0.0029586 k( 205) = ( 0.3631366 -0.3631366 0.0000000), wk = 0.0029586 k( 206) = ( 0.3554103 -0.3554103 0.0000000), wk = 0.0029586 k( 207) = ( 0.3476840 -0.3476840 -0.0000000), wk = 0.0029586 k( 208) = ( 0.3399577 -0.3399577 -0.0000000), wk = 0.0029586 k( 209) = ( 0.3322313 -0.3322314 -0.0000000), wk = 0.0029586 k( 210) = ( 0.3245050 -0.3245050 -0.0000000), wk = 0.0029586 k( 211) = ( 0.3167787 -0.3167787 -0.0000000), wk = 0.0029586 k( 212) = ( 0.3090524 -0.3090524 -0.0000000), wk = 0.0029586 k( 213) = ( 0.3013261 -0.3013261 -0.0000000), wk = 0.0029586 k( 214) = ( 0.2935998 -0.2935998 -0.0000000), wk = 0.0029586 k( 215) = ( 0.2858735 -0.2858735 -0.0000000), wk = 0.0029586 k( 216) = ( 0.2781472 -0.2781472 -0.0000000), wk = 0.0029586 k( 217) = ( 0.2704209 -0.2704209 -0.0000000), wk = 0.0029586 k( 218) = ( 0.2626946 -0.2626946 -0.0000000), wk = 0.0029586 k( 219) = ( 0.2549682 -0.2549682 -0.0000000), wk = 0.0029586 k( 220) = ( 0.2472419 -0.2472419 -0.0000000), wk = 0.0029586 k( 221) = ( 0.2395156 -0.2395156 -0.0000000), wk = 0.0029586 k( 222) = ( 0.2317893 -0.2317893 -0.0000000), wk = 0.0029586 k( 223) = ( 0.2240630 -0.2240630 -0.0000000), wk = 0.0029586 k( 224) = ( 0.2163367 -0.2163367 -0.0000000), wk = 0.0029586 k( 225) = ( 0.2086104 -0.2086104 -0.0000000), wk = 0.0029586 k( 226) = ( 0.2008841 -0.2008841 -0.0000000), wk = 0.0029586 k( 227) = ( 0.1931578 -0.1931578 -0.0000000), wk = 0.0029586 k( 228) = ( 0.1854314 -0.1854314 0.0000000), wk = 0.0029586 k( 229) = ( 0.1777051 -0.1777051 0.0000000), wk = 0.0029586 k( 230) = ( 0.1699788 -0.1699788 -0.0000000), wk = 0.0029586 k( 231) = ( 0.1622525 -0.1622525 -0.0000000), wk = 0.0029586 k( 232) = ( 0.1545262 -0.1545262 -0.0000000), wk = 0.0029586 k( 233) = ( 0.1467999 -0.1467999 -0.0000000), wk = 0.0029586 k( 234) = ( 0.1390736 -0.1390736 -0.0000000), wk = 0.0029586 k( 235) = ( 0.1313473 -0.1313473 -0.0000000), wk = 0.0029586 k( 236) = ( 0.1236210 -0.1236210 -0.0000000), wk = 0.0029586 k( 237) = ( 0.1158947 -0.1158947 -0.0000000), wk = 0.0029586 k( 238) = ( 0.1081683 -0.1081683 -0.0000000), wk = 0.0029586 k( 239) = ( 0.1004420 -0.1004420 -0.0000000), wk = 0.0029586 k( 240) = ( 0.0927157 -0.0927157 0.0000000), wk = 0.0029586 k( 241) = ( 0.0849894 -0.0849894 -0.0000000), wk = 0.0029586 k( 242) = ( 0.0772631 -0.0772631 0.0000000), wk = 0.0029586 k( 243) = ( 0.0695368 -0.0695368 -0.0000000), wk = 0.0029586 k( 244) = ( 0.0618105 -0.0618105 -0.0000000), wk = 0.0029586 k( 245) = ( 0.0540842 -0.0540842 -0.0000000), wk = 0.0029586 k( 246) = ( 0.0463579 -0.0463579 0.0000000), wk = 0.0029586 k( 247) = ( 0.0386316 -0.0386316 0.0000000), wk = 0.0029586 k( 248) = ( 0.0309052 -0.0309052 -0.0000000), wk = 0.0029586 k( 249) = ( 0.0231789 -0.0231789 0.0000000), wk = 0.0029586 k( 250) = ( 0.0154526 -0.0154526 -0.0000000), wk = 0.0029586 k( 251) = ( 0.0077263 -0.0077263 -0.0000000), wk = 0.0029586 k( 252) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 253) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 254) = ( 0.0125000 0.0000000 -0.0000000), wk = 0.0029586 k( 255) = ( 0.0250000 0.0000000 -0.0000000), wk = 0.0029586 k( 256) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0029586 k( 257) = ( 0.0500000 0.0000000 -0.0000000), wk = 0.0029586 k( 258) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0029586 k( 259) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0029586 k( 260) = ( 0.0875000 0.0000000 0.0000000), wk = 0.0029586 k( 261) = ( 0.1000000 0.0000000 -0.0000000), wk = 0.0029586 k( 262) = ( 0.1125000 0.0000000 -0.0000000), wk = 0.0029586 k( 263) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0029586 k( 264) = ( 0.1375000 0.0000000 -0.0000000), wk = 0.0029586 k( 265) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0029586 k( 266) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0029586 k( 267) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0029586 k( 268) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0029586 k( 269) = ( 0.2000000 0.0000000 -0.0000000), wk = 0.0029586 k( 270) = ( 0.2125000 -0.0000000 0.0000000), wk = 0.0029586 k( 271) = ( 0.2250000 0.0000000 -0.0000000), wk = 0.0029586 k( 272) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0029586 k( 273) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0029586 k( 274) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0029586 k( 275) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0029586 k( 276) = ( 0.2875000 0.0000000 0.0000000), wk = 0.0029586 k( 277) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0029586 k( 278) = ( 0.3125000 0.0000000 0.0000000), wk = 0.0029586 k( 279) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0029586 k( 280) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0029586 k( 281) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0029586 k( 282) = ( 0.3625000 0.0000000 0.0000000), wk = 0.0029586 k( 283) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0029586 k( 284) = ( 0.3875000 0.0000000 -0.0000000), wk = 0.0029586 k( 285) = ( 0.4000000 0.0000000 -0.0000000), wk = 0.0029586 k( 286) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0029586 k( 287) = ( 0.4250000 -0.0000000 0.0000000), wk = 0.0029586 k( 288) = ( 0.4375000 0.0000000 -0.0000000), wk = 0.0029586 k( 289) = ( 0.4500000 0.0000000 -0.0000000), wk = 0.0029586 k( 290) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0029586 k( 291) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0029586 k( 292) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0029586 k( 293) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0029586 k( 294) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029586 k( 295) = ( 0.4886364 0.0000000 0.4886364), wk = 0.0029586 k( 296) = ( 0.4772727 0.0000000 0.4772727), wk = 0.0029586 k( 297) = ( 0.4659091 0.0000000 0.4659091), wk = 0.0029586 k( 298) = ( 0.4545455 -0.0000000 0.4545455), wk = 0.0029586 k( 299) = ( 0.4431818 0.0000000 0.4431818), wk = 0.0029586 k( 300) = ( 0.4318182 -0.0000000 0.4318182), wk = 0.0029586 k( 301) = ( 0.4204545 0.0000000 0.4204546), wk = 0.0029586 k( 302) = ( 0.4090909 -0.0000000 0.4090909), wk = 0.0029586 k( 303) = ( 0.3977273 0.0000000 0.3977273), wk = 0.0029586 k( 304) = ( 0.3863636 0.0000000 0.3863636), wk = 0.0029586 k( 305) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0029586 k( 306) = ( 0.3636364 0.0000000 0.3636364), wk = 0.0029586 k( 307) = ( 0.3522727 0.0000000 0.3522727), wk = 0.0029586 k( 308) = ( 0.3409091 -0.0000000 0.3409091), wk = 0.0029586 k( 309) = ( 0.3295455 -0.0000000 0.3295455), wk = 0.0029586 k( 310) = ( 0.3181818 0.0000000 0.3181818), wk = 0.0029586 k( 311) = ( 0.3068182 0.0000000 0.3068182), wk = 0.0029586 k( 312) = ( 0.2954545 0.0000000 0.2954545), wk = 0.0029586 k( 313) = ( 0.2840909 0.0000000 0.2840909), wk = 0.0029586 k( 314) = ( 0.2727273 0.0000000 0.2727273), wk = 0.0029586 k( 315) = ( 0.2613636 0.0000000 0.2613636), wk = 0.0029586 k( 316) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0029586 k( 317) = ( 0.2386364 -0.0000000 0.2386364), wk = 0.0029586 k( 318) = ( 0.2272727 0.0000000 0.2272727), wk = 0.0029586 k( 319) = ( 0.2159091 -0.0000000 0.2159091), wk = 0.0029586 k( 320) = ( 0.2045454 0.0000000 0.2045455), wk = 0.0029586 k( 321) = ( 0.1931818 0.0000000 0.1931818), wk = 0.0029586 k( 322) = ( 0.1818182 0.0000000 0.1818182), wk = 0.0029586 k( 323) = ( 0.1704546 0.0000000 0.1704546), wk = 0.0029586 k( 324) = ( 0.1590909 0.0000000 0.1590909), wk = 0.0029586 k( 325) = ( 0.1477273 0.0000000 0.1477273), wk = 0.0029586 k( 326) = ( 0.1363636 0.0000000 0.1363636), wk = 0.0029586 k( 327) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0029586 k( 328) = ( 0.1136364 -0.0000000 0.1136364), wk = 0.0029586 k( 329) = ( 0.1022727 0.0000000 0.1022727), wk = 0.0029586 k( 330) = ( 0.0909091 0.0000000 0.0909091), wk = 0.0029586 k( 331) = ( 0.0795455 0.0000000 0.0795455), wk = 0.0029586 k( 332) = ( 0.0681818 0.0000000 0.0681818), wk = 0.0029586 k( 333) = ( 0.0568182 -0.0000000 0.0568182), wk = 0.0029586 k( 334) = ( 0.0454546 0.0000000 0.0454546), wk = 0.0029586 k( 335) = ( 0.0340909 0.0000000 0.0340909), wk = 0.0029586 k( 336) = ( 0.0227273 0.0000000 0.0227273), wk = 0.0029586 k( 337) = ( 0.0113636 0.0000000 0.0113636), wk = 0.0029586 k( 338) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 Dense grid: 74201 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32629 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.16 Mb ( 178, 60) NL pseudopotentials 0.19 Mb ( 89, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1548) G-vector shells 0.01 Mb ( 1548) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.65 Mb ( 178, 240) Each subspace H/S matrix 0.88 Mb ( 240, 240) Each matrix 0.26 Mb ( 142, 2, 60) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BixBO2x3.save/charge-density.dat negative rho (up, down): 1.187E-04 0.000E+00 Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 42.9 secs Computing kpt #: 2 total cpu time spent up to now is 45.8 secs Computing kpt #: 3 total cpu time spent up to now is 48.6 secs Computing kpt #: 4 total cpu time spent up to now is 51.5 secs Computing kpt #: 5 total cpu time spent up to now is 54.5 secs Computing kpt #: 6 total cpu time spent up to now is 57.4 secs Computing kpt #: 7 total cpu time spent up to now is 60.5 secs Computing kpt #: 8 total cpu time spent up to now is 63.5 secs Computing kpt #: 9 total cpu time spent up to now is 66.6 secs Computing kpt #: 10 total cpu time spent up to now is 69.5 secs Computing kpt #: 11 total cpu time spent up to now is 72.5 secs Computing kpt #: 12 total cpu time spent up to now is 75.6 secs Computing kpt #: 13 total cpu time spent up to now is 78.9 secs Computing kpt #: 14 total cpu time spent up to now is 81.9 secs Computing kpt #: 15 total cpu time spent up to now is 84.9 secs Computing kpt #: 16 total cpu time spent up to now is 88.0 secs Computing kpt #: 17 total cpu time spent up to now is 91.0 secs Computing kpt #: 18 total cpu time spent up to now is 94.0 secs Computing kpt #: 19 total cpu time spent up to now is 97.0 secs Computing kpt #: 20 total cpu time spent up to now is 100.0 secs Computing kpt #: 21 total cpu time spent up to now is 102.9 secs Computing kpt #: 22 total cpu time spent up to now is 106.2 secs Computing kpt #: 23 total cpu time spent up to now is 110.4 secs Computing kpt #: 24 total cpu time spent up to now is 114.2 secs Computing kpt #: 25 total cpu time spent up to now is 117.6 secs Computing kpt #: 26 total cpu time spent up to now is 121.1 secs Computing kpt #: 27 total cpu time spent up to now is 124.1 secs Computing kpt #: 28 total cpu time spent up to now is 126.9 secs Computing kpt #: 29 total cpu time spent up to now is 129.8 secs Computing kpt #: 30 total cpu time spent up to now is 132.8 secs Computing kpt #: 31 total cpu time spent up to now is 135.4 secs Computing kpt #: 32 total cpu time spent up to now is 138.2 secs Computing kpt #: 33 total cpu time spent up to now is 140.8 secs Computing kpt #: 34 total cpu time spent up to now is 143.4 secs Computing kpt #: 35 total cpu time spent up to now is 146.0 secs Computing kpt #: 36 total cpu time spent up to now is 148.5 secs Computing kpt #: 37 total cpu time spent up to now is 151.0 secs Computing kpt #: 38 total cpu time spent up to now is 154.2 secs Computing kpt #: 39 total cpu time spent up to now is 156.8 secs Computing kpt #: 40 total cpu time spent up to now is 159.2 secs Computing kpt #: 41 total cpu time spent up to now is 161.6 secs Computing kpt #: 42 total cpu time spent up to now is 164.0 secs Computing kpt #: 43 total cpu time spent up to now is 166.4 secs Computing kpt #: 44 total cpu time spent up to now is 170.0 secs Computing kpt #: 45 total cpu time spent up to now is 172.4 secs Computing kpt #: 46 total cpu time spent up to now is 174.8 secs Computing kpt #: 47 total cpu time spent up to now is 177.1 secs Computing kpt #: 48 total cpu time spent up to now is 179.4 secs Computing kpt #: 49 total cpu time spent up to now is 181.8 secs Computing kpt #: 50 total cpu time spent up to now is 184.5 secs Computing kpt #: 51 total cpu time spent up to now is 187.0 secs Computing kpt #: 52 total cpu time spent up to now is 189.4 secs Computing kpt #: 53 total cpu time spent up to now is 191.7 secs Computing kpt #: 54 total cpu time spent up to now is 194.1 secs Computing kpt #: 55 total cpu time spent up to now is 196.4 secs Computing kpt #: 56 total cpu time spent up to now is 198.9 secs Computing kpt #: 57 total cpu time spent up to now is 202.5 secs Computing kpt #: 58 total cpu time spent up to now is 204.9 secs Computing kpt #: 59 total cpu time spent up to now is 207.4 secs Computing kpt #: 60 total cpu time spent up to now is 209.8 secs Computing kpt #: 61 total cpu time spent up to now is 212.2 secs Computing kpt #: 62 total cpu time spent up to now is 214.7 secs Computing kpt #: 63 total cpu time spent up to now is 217.1 secs Computing kpt #: 64 total cpu time spent up to now is 219.6 secs Computing kpt #: 65 total cpu time spent up to now is 222.0 secs Computing kpt #: 66 total cpu time spent up to now is 224.5 secs Computing kpt #: 67 total cpu time spent up to now is 227.9 secs Computing kpt #: 68 total cpu time spent up to now is 230.3 secs Computing kpt #: 69 total cpu time spent up to now is 233.1 secs Computing kpt #: 70 total cpu time spent up to now is 235.5 secs Computing kpt #: 71 total cpu time spent up to now is 237.9 secs Computing kpt #: 72 total cpu time spent up to now is 240.4 secs Computing kpt #: 73 total cpu time spent up to now is 243.1 secs Computing kpt #: 74 total cpu time spent up to now is 245.5 secs Computing kpt #: 75 total cpu time spent up to now is 247.9 secs Computing kpt #: 76 total cpu time spent up to now is 250.7 secs Computing kpt #: 77 total cpu time spent up to now is 253.1 secs Computing kpt #: 78 total cpu time spent up to now is 255.4 secs Computing kpt #: 79 total cpu time spent up to now is 257.8 secs Computing kpt #: 80 total cpu time spent up to now is 260.2 secs Computing kpt #: 81 total cpu time spent up to now is 262.7 secs Computing kpt #: 82 total cpu time spent up to now is 265.3 secs Computing kpt #: 83 total cpu time spent up to now is 267.8 secs Computing kpt #: 84 total cpu time spent up to now is 270.2 secs Computing kpt #: 85 total cpu time spent up to now is 272.7 secs Computing kpt #: 86 total cpu time spent up to now is 275.1 secs Computing kpt #: 87 total cpu time spent up to now is 278.4 secs Computing kpt #: 88 total cpu time spent up to now is 280.7 secs Computing kpt #: 89 total cpu time spent up to now is 283.3 secs Computing kpt #: 90 total cpu time spent up to now is 285.6 secs Computing kpt #: 91 total cpu time spent up to now is 287.9 secs Computing kpt #: 92 total cpu time spent up to now is 290.2 secs Computing kpt #: 93 total cpu time spent up to now is 292.4 secs Computing kpt #: 94 total cpu time spent up to now is 294.8 secs Computing kpt #: 95 total cpu time spent up to now is 297.0 secs Computing kpt #: 96 total cpu time spent up to now is 299.2 secs Computing kpt #: 97 total cpu time spent up to now is 301.4 secs Computing kpt #: 98 total cpu time spent up to now is 303.6 secs Computing kpt #: 99 total cpu time spent up to now is 305.9 secs Computing kpt #: 100 total cpu time spent up to now is 308.1 secs Computing kpt #: 101 total cpu time spent up to now is 310.4 secs Computing kpt #: 102 total cpu time spent up to now is 312.7 secs Computing kpt #: 103 total cpu time spent up to now is 314.8 secs Computing kpt #: 104 total cpu time spent up to now is 317.0 secs Computing kpt #: 105 total cpu time spent up to now is 319.2 secs Computing kpt #: 106 total cpu time spent up to now is 321.4 secs Computing kpt #: 107 total cpu time spent up to now is 323.7 secs Computing kpt #: 108 total cpu time spent up to now is 325.8 secs Computing kpt #: 109 total cpu time spent up to now is 328.0 secs Computing kpt #: 110 total cpu time spent up to now is 330.2 secs Computing kpt #: 111 total cpu time spent up to now is 332.3 secs Computing kpt #: 112 total cpu time spent up to now is 334.5 secs Computing kpt #: 113 total cpu time spent up to now is 336.6 secs Computing kpt #: 114 total cpu time spent up to now is 339.9 secs Computing kpt #: 115 total cpu time spent up to now is 342.2 secs Computing kpt #: 116 total cpu time spent up to now is 344.4 secs Computing kpt #: 117 total cpu time spent up to now is 346.8 secs Computing kpt #: 118 total cpu time spent up to now is 349.1 secs Computing kpt #: 119 total cpu time spent up to now is 351.5 secs Computing kpt #: 120 total cpu time spent up to now is 353.8 secs Computing kpt #: 121 total cpu time spent up to now is 356.1 secs Computing kpt #: 122 total cpu time spent up to now is 358.5 secs Computing kpt #: 123 total cpu time spent up to now is 360.9 secs Computing kpt #: 124 total cpu time spent up to now is 364.2 secs Computing kpt #: 125 total cpu time spent up to now is 366.6 secs Computing kpt #: 126 total cpu time spent up to now is 369.1 secs Computing kpt #: 127 total cpu time spent up to now is 371.7 secs Computing kpt #: 128 total cpu time spent up to now is 374.2 secs Computing kpt #: 129 total cpu time spent up to now is 376.7 secs Computing kpt #: 130 total cpu time spent up to now is 379.3 secs Computing kpt #: 131 total cpu time spent up to now is 381.9 secs Computing kpt #: 132 total cpu time spent up to now is 384.5 secs Computing kpt #: 133 total cpu time spent up to now is 387.1 secs Computing kpt #: 134 total cpu time spent up to now is 389.7 secs Computing kpt #: 135 total cpu time spent up to now is 393.6 secs Computing kpt #: 136 total cpu time spent up to now is 396.4 secs Computing kpt #: 137 total cpu time spent up to now is 399.2 secs Computing kpt #: 138 total cpu time spent up to now is 402.1 secs Computing kpt #: 139 total cpu time spent up to now is 404.9 secs Computing kpt #: 140 total cpu time spent up to now is 408.7 secs Computing kpt #: 141 total cpu time spent up to now is 411.7 secs Computing kpt #: 142 total cpu time spent up to now is 414.6 secs Computing kpt #: 143 total cpu time spent up to now is 417.5 secs Computing kpt #: 144 total cpu time spent up to now is 420.3 secs Computing kpt #: 145 total cpu time spent up to now is 423.2 secs Computing kpt #: 146 total cpu time spent up to now is 426.1 secs Computing kpt #: 147 total cpu time spent up to now is 430.0 secs Computing kpt #: 148 total cpu time spent up to now is 433.3 secs Computing kpt #: 149 total cpu time spent up to now is 436.5 secs Computing kpt #: 150 total cpu time spent up to now is 439.2 secs Computing kpt #: 151 total cpu time spent up to now is 442.4 secs Computing kpt #: 152 total cpu time spent up to now is 445.4 secs Computing kpt #: 153 total cpu time spent up to now is 448.5 secs Computing kpt #: 154 total cpu time spent up to now is 451.4 secs Computing kpt #: 155 total cpu time spent up to now is 454.3 secs Computing kpt #: 156 total cpu time spent up to now is 457.3 secs Computing kpt #: 157 total cpu time spent up to now is 460.2 secs Computing kpt #: 158 total cpu time spent up to now is 463.1 secs Computing kpt #: 159 total cpu time spent up to now is 466.1 secs Computing kpt #: 160 total cpu time spent up to now is 469.0 secs Computing kpt #: 161 total cpu time spent up to now is 471.9 secs Computing kpt #: 162 total cpu time spent up to now is 474.9 secs Computing kpt #: 163 total cpu time spent up to now is 477.9 secs Computing kpt #: 164 total cpu time spent up to now is 480.8 secs Computing kpt #: 165 total cpu time spent up to now is 483.7 secs Computing kpt #: 166 total cpu time spent up to now is 486.6 secs Computing kpt #: 167 total cpu time spent up to now is 489.3 secs Computing kpt #: 168 total cpu time spent up to now is 492.2 secs Computing kpt #: 169 total cpu time spent up to now is 495.2 secs Computing kpt #: 170 total cpu time spent up to now is 498.5 secs Computing kpt #: 171 total cpu time spent up to now is 502.4 secs Computing kpt #: 172 total cpu time spent up to now is 505.3 secs Computing kpt #: 173 total cpu time spent up to now is 508.1 secs Computing kpt #: 174 total cpu time spent up to now is 511.4 secs Computing kpt #: 175 total cpu time spent up to now is 514.4 secs Computing kpt #: 176 total cpu time spent up to now is 517.0 secs Computing kpt #: 177 total cpu time spent up to now is 519.9 secs Computing kpt #: 178 total cpu time spent up to now is 522.8 secs Computing kpt #: 179 total cpu time spent up to now is 526.4 secs Computing kpt #: 180 total cpu time spent up to now is 528.8 secs Computing kpt #: 181 total cpu time spent up to now is 531.7 secs Computing kpt #: 182 total cpu time spent up to now is 534.2 secs Computing kpt #: 183 total cpu time spent up to now is 536.7 secs Computing kpt #: 184 total cpu time spent up to now is 539.2 secs Computing kpt #: 185 total cpu time spent up to now is 543.0 secs Computing kpt #: 186 total cpu time spent up to now is 545.4 secs Computing kpt #: 187 total cpu time spent up to now is 547.7 secs Computing kpt #: 188 total cpu time spent up to now is 550.1 secs Computing kpt #: 189 total cpu time spent up to now is 552.6 secs Computing kpt #: 190 total cpu time spent up to now is 554.9 secs Computing kpt #: 191 total cpu time spent up to now is 557.3 secs Computing kpt #: 192 total cpu time spent up to now is 559.6 secs Computing kpt #: 193 total cpu time spent up to now is 562.0 secs Computing kpt #: 194 total cpu time spent up to now is 564.4 secs Computing kpt #: 195 total cpu time spent up to now is 566.8 secs Computing kpt #: 196 total cpu time spent up to now is 569.2 secs Computing kpt #: 197 total cpu time spent up to now is 571.6 secs Computing kpt #: 198 total cpu time spent up to now is 573.9 secs Computing kpt #: 199 total cpu time spent up to now is 576.5 secs Computing kpt #: 200 total cpu time spent up to now is 578.7 secs Computing kpt #: 201 total cpu time spent up to now is 582.3 secs Computing kpt #: 202 total cpu time spent up to now is 584.5 secs Computing kpt #: 203 total cpu time spent up to now is 586.9 secs Computing kpt #: 204 total cpu time spent up to now is 589.1 secs Computing kpt #: 205 total cpu time spent up to now is 591.5 secs Computing kpt #: 206 total cpu time spent up to now is 593.8 secs Computing kpt #: 207 total cpu time spent up to now is 596.0 secs Computing kpt #: 208 total cpu time spent up to now is 598.2 secs Computing kpt #: 209 total cpu time spent up to now is 600.5 secs Computing kpt #: 210 total cpu time spent up to now is 602.7 secs Computing kpt #: 211 total cpu time spent up to now is 604.9 secs Computing kpt #: 212 total cpu time spent up to now is 607.1 secs Computing kpt #: 213 total cpu time spent up to now is 609.4 secs Computing kpt #: 214 total cpu time spent up to now is 612.0 secs Computing kpt #: 215 total cpu time spent up to now is 614.2 secs Computing kpt #: 216 total cpu time spent up to now is 616.5 secs Computing kpt #: 217 total cpu time spent up to now is 618.8 secs Computing kpt #: 218 total cpu time spent up to now is 621.1 secs Computing kpt #: 219 total cpu time spent up to now is 623.4 secs Computing kpt #: 220 total cpu time spent up to now is 625.8 secs Computing kpt #: 221 total cpu time spent up to now is 628.1 secs Computing kpt #: 222 total cpu time spent up to now is 630.4 secs Computing kpt #: 223 total cpu time spent up to now is 632.8 secs Computing kpt #: 224 total cpu time spent up to now is 635.4 secs Computing kpt #: 225 total cpu time spent up to now is 637.7 secs Computing kpt #: 226 total cpu time spent up to now is 640.3 secs Computing kpt #: 227 total cpu time spent up to now is 643.0 secs Computing kpt #: 228 total cpu time spent up to now is 646.6 secs Computing kpt #: 229 total cpu time spent up to now is 649.1 secs Computing kpt #: 230 total cpu time spent up to now is 651.8 secs Computing kpt #: 231 total cpu time spent up to now is 654.4 secs Computing kpt #: 232 total cpu time spent up to now is 656.9 secs Computing kpt #: 233 total cpu time spent up to now is 660.5 secs Computing kpt #: 234 total cpu time spent up to now is 663.6 secs Computing kpt #: 235 total cpu time spent up to now is 666.3 secs Computing kpt #: 236 total cpu time spent up to now is 668.9 secs Computing kpt #: 237 total cpu time spent up to now is 671.5 secs Computing kpt #: 238 total cpu time spent up to now is 674.2 secs Computing kpt #: 239 total cpu time spent up to now is 676.8 secs Computing kpt #: 240 total cpu time spent up to now is 679.5 secs Computing kpt #: 241 total cpu time spent up to now is 682.3 secs Computing kpt #: 242 total cpu time spent up to now is 685.0 secs Computing kpt #: 243 total cpu time spent up to now is 687.8 secs Computing kpt #: 244 total cpu time spent up to now is 690.5 secs Computing kpt #: 245 total cpu time spent up to now is 693.3 secs Computing kpt #: 246 total cpu time spent up to now is 696.1 secs Computing kpt #: 247 total cpu time spent up to now is 698.9 secs Computing kpt #: 248 total cpu time spent up to now is 701.7 secs Computing kpt #: 249 total cpu time spent up to now is 704.5 secs Computing kpt #: 250 total cpu time spent up to now is 707.9 secs Computing kpt #: 251 total cpu time spent up to now is 710.9 secs Computing kpt #: 252 total cpu time spent up to now is 713.9 secs Computing kpt #: 253 total cpu time spent up to now is 717.8 secs Computing kpt #: 254 total cpu time spent up to now is 720.5 secs Computing kpt #: 255 total cpu time spent up to now is 724.6 secs Computing kpt #: 256 total cpu time spent up to now is 727.4 secs Computing kpt #: 257 total cpu time spent up to now is 730.2 secs Computing kpt #: 258 total cpu time spent up to now is 733.1 secs Computing kpt #: 259 total cpu time spent up to now is 735.9 secs Computing kpt #: 260 total cpu time spent up to now is 738.8 secs Computing kpt #: 261 total cpu time spent up to now is 741.6 secs Computing kpt #: 262 total cpu time spent up to now is 744.7 secs Computing kpt #: 263 total cpu time spent up to now is 747.6 secs Computing kpt #: 264 total cpu time spent up to now is 751.4 secs Computing kpt #: 265 total cpu time spent up to now is 754.2 secs Computing kpt #: 266 total cpu time spent up to now is 757.0 secs Computing kpt #: 267 total cpu time spent up to now is 760.1 secs Computing kpt #: 268 total cpu time spent up to now is 762.9 secs Computing kpt #: 269 total cpu time spent up to now is 766.8 secs Computing kpt #: 270 total cpu time spent up to now is 769.6 secs Computing kpt #: 271 total cpu time spent up to now is 772.3 secs Computing kpt #: 272 total cpu time spent up to now is 775.0 secs Computing kpt #: 273 total cpu time spent up to now is 777.8 secs Computing kpt #: 274 total cpu time spent up to now is 780.5 secs Computing kpt #: 275 total cpu time spent up to now is 783.3 secs Computing kpt #: 276 total cpu time spent up to now is 786.0 secs Computing kpt #: 277 total cpu time spent up to now is 788.6 secs Computing kpt #: 278 total cpu time spent up to now is 791.3 secs Computing kpt #: 279 total cpu time spent up to now is 794.0 secs Computing kpt #: 280 total cpu time spent up to now is 796.6 secs Computing kpt #: 281 total cpu time spent up to now is 799.2 secs Computing kpt #: 282 total cpu time spent up to now is 801.8 secs Computing kpt #: 283 total cpu time spent up to now is 804.3 secs Computing kpt #: 284 total cpu time spent up to now is 806.8 secs Computing kpt #: 285 total cpu time spent up to now is 809.4 secs Computing kpt #: 286 total cpu time spent up to now is 812.9 secs Computing kpt #: 287 total cpu time spent up to now is 815.6 secs Computing kpt #: 288 total cpu time spent up to now is 818.1 secs Computing kpt #: 289 total cpu time spent up to now is 820.6 secs Computing kpt #: 290 total cpu time spent up to now is 823.1 secs Computing kpt #: 291 total cpu time spent up to now is 825.6 secs Computing kpt #: 292 total cpu time spent up to now is 828.0 secs Computing kpt #: 293 total cpu time spent up to now is 830.4 secs Computing kpt #: 294 total cpu time spent up to now is 832.6 secs Computing kpt #: 295 total cpu time spent up to now is 835.3 secs Computing kpt #: 296 total cpu time spent up to now is 837.5 secs Computing kpt #: 297 total cpu time spent up to now is 839.8 secs Computing kpt #: 298 total cpu time spent up to now is 842.1 secs Computing kpt #: 299 total cpu time spent up to now is 844.4 secs Computing kpt #: 300 total cpu time spent up to now is 846.7 secs Computing kpt #: 301 total cpu time spent up to now is 849.1 secs Computing kpt #: 302 total cpu time spent up to now is 851.8 secs Computing kpt #: 303 total cpu time spent up to now is 854.2 secs Computing kpt #: 304 total cpu time spent up to now is 857.7 secs Computing kpt #: 305 total cpu time spent up to now is 860.1 secs Computing kpt #: 306 total cpu time spent up to now is 862.6 secs Computing kpt #: 307 total cpu time spent up to now is 865.1 secs Computing kpt #: 308 total cpu time spent up to now is 867.6 secs Computing kpt #: 309 total cpu time spent up to now is 870.1 secs Computing kpt #: 310 total cpu time spent up to now is 872.6 secs Computing kpt #: 311 total cpu time spent up to now is 875.3 secs Computing kpt #: 312 total cpu time spent up to now is 877.8 secs Computing kpt #: 313 total cpu time spent up to now is 880.6 secs Computing kpt #: 314 total cpu time spent up to now is 883.3 secs Computing kpt #: 315 total cpu time spent up to now is 885.9 secs Computing kpt #: 316 total cpu time spent up to now is 888.6 secs Computing kpt #: 317 total cpu time spent up to now is 891.3 secs Computing kpt #: 318 total cpu time spent up to now is 894.0 secs Computing kpt #: 319 total cpu time spent up to now is 896.7 secs Computing kpt #: 320 total cpu time spent up to now is 899.5 secs Computing kpt #: 321 total cpu time spent up to now is 902.2 secs Computing kpt #: 322 total cpu time spent up to now is 905.0 secs Computing kpt #: 323 total cpu time spent up to now is 907.8 secs Computing kpt #: 324 total cpu time spent up to now is 910.5 secs Computing kpt #: 325 total cpu time spent up to now is 913.3 secs Computing kpt #: 326 total cpu time spent up to now is 916.1 secs Computing kpt #: 327 total cpu time spent up to now is 919.1 secs Computing kpt #: 328 total cpu time spent up to now is 921.9 secs Computing kpt #: 329 total cpu time spent up to now is 925.3 secs Computing kpt #: 330 total cpu time spent up to now is 928.2 secs Computing kpt #: 331 total cpu time spent up to now is 931.0 secs Computing kpt #: 332 total cpu time spent up to now is 933.8 secs Computing kpt #: 333 total cpu time spent up to now is 937.1 secs Computing kpt #: 334 total cpu time spent up to now is 939.9 secs Computing kpt #: 335 total cpu time spent up to now is 942.8 secs Computing kpt #: 336 total cpu time spent up to now is 945.7 secs Computing kpt #: 337 total cpu time spent up to now is 948.7 secs Computing kpt #: 338 total cpu time spent up to now is 952.4 secs ethr = 2.00E-11, avg # of iterations = 35.7 total cpu time spent up to now is 952.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3706 -16.3706 -15.0045 -15.0045 -14.3682 -14.3682 -13.7769 -13.7769 -13.7083 -13.7083 -13.3222 -13.3222 -5.2482 -5.2482 -4.5255 -4.5255 -3.4631 -3.4631 -2.7587 -2.7587 -2.7063 -2.7063 -1.1680 -1.1680 -0.2662 -0.2662 0.0905 0.0905 0.3196 0.3196 1.1574 1.1574 1.4935 1.4935 1.9185 1.9185 2.2159 2.2159 2.3238 2.3238 2.4376 2.4376 2.8089 2.8089 2.9756 2.9756 3.1988 3.1988 3.3456 3.3456 8.2117 8.2117 9.9160 9.9160 10.4845 10.4845 10.9347 10.9347 12.2278 12.2278 k = 0.0109 0.0075-0.0036 ( 4061 PWs) bands (ev): -16.3701 -16.3699 -15.0047 -15.0042 -14.3684 -14.3677 -13.7779 -13.7776 -13.7086 -13.7077 -13.3232 -13.3221 -5.2482 -5.2476 -4.5282 -4.5279 -3.4622 -3.4616 -2.7642 -2.7499 -2.7102 -2.6989 -1.1741 -1.1628 -0.2693 -0.2665 0.0738 0.1048 0.3136 0.3272 1.1494 1.1657 1.4769 1.5105 1.9061 1.9113 2.2168 2.2297 2.3246 2.3286 2.4379 2.4387 2.8079 2.8087 2.9759 2.9766 3.1985 3.1988 3.3451 3.3454 8.1986 8.2241 9.9036 9.9271 10.4730 10.4938 10.9232 10.9515 12.2187 12.2383 k = 0.0217 0.0150-0.0073 ( 4063 PWs) bands (ev): -16.3684 -16.3681 -15.0049 -15.0038 -14.3683 -14.3669 -13.7804 -13.7800 -13.7086 -13.7069 -13.3251 -13.3230 -5.2478 -5.2466 -4.5359 -4.5352 -3.4591 -3.4578 -2.7664 -2.7392 -2.7091 -2.6879 -1.1809 -1.1585 -0.2760 -0.2698 0.0561 0.1155 0.3102 0.3354 1.1418 1.1738 1.4611 1.5271 1.8781 1.8867 2.2313 2.2514 2.3306 2.3404 2.4397 2.4416 2.8058 2.8075 2.9774 2.9788 3.1977 3.1983 3.3440 3.3444 8.1851 8.2359 9.8898 9.9370 10.4611 10.4995 10.9185 10.9725 12.2109 12.2499 k = 0.0326 0.0225-0.0109 ( 4067 PWs) bands (ev): -16.3656 -16.3651 -15.0050 -15.0033 -14.3679 -14.3658 -13.7845 -13.7839 -13.7083 -13.7059 -13.3280 -13.3249 -5.2469 -5.2450 -4.5482 -4.5472 -3.4538 -3.4518 -2.7655 -2.7302 -2.6999 -2.6733 -1.1886 -1.1551 -0.2867 -0.2761 0.0387 0.1217 0.3098 0.3436 1.1349 1.1810 1.4466 1.5427 1.8392 1.8528 2.2522 2.2726 2.3414 2.3590 2.4443 2.4488 2.8028 2.8053 2.9801 2.9821 3.1965 3.1975 3.3421 3.3427 8.1710 8.2470 9.8748 9.9456 10.4502 10.5001 10.9215 10.9966 12.2046 12.2624 k = 0.0435 0.0301-0.0145 ( 4070 PWs) bands (ev): -16.3616 -16.3609 -15.0050 -15.0027 -14.3672 -14.3644 -13.7900 -13.7894 -13.7079 -13.7048 -13.3318 -13.3277 -5.2458 -5.2433 -4.5647 -4.5632 -3.4463 -3.4437 -2.7622 -2.7246 -2.6809 -2.6550 -1.1969 -1.1526 -0.3016 -0.2852 0.0226 0.1232 0.3123 0.3510 1.1286 1.1865 1.4341 1.5562 1.7933 1.8174 2.2728 2.2898 2.3555 2.3783 2.4540 2.4657 2.7987 2.8021 2.9839 2.9865 3.1949 3.1962 3.3396 3.3404 8.1566 8.2573 9.8584 9.9531 10.4413 10.4954 10.9322 11.0229 12.1998 12.2758 k = 0.0543 0.0376-0.0182 ( 4076 PWs) bands (ev): -16.3564 -16.3556 -15.0048 -15.0020 -14.3663 -14.3627 -13.7968 -13.7962 -13.7075 -13.7036 -13.3365 -13.3314 -5.2449 -5.2415 -4.5845 -4.5827 -3.4368 -3.4336 -2.7567 -2.7198 -2.6553 -2.6327 -1.2059 -1.1509 -0.3209 -0.2970 0.0086 0.1207 0.3169 0.3570 1.1228 1.1893 1.4237 1.5660 1.7441 1.7852 2.2907 2.3042 2.3687 2.3901 2.4721 2.4967 2.7939 2.7981 2.9886 2.9919 3.1928 3.1945 3.3365 3.3376 8.1419 8.2668 9.8408 9.9596 10.4350 10.4857 10.9503 11.0508 12.1967 12.2898 k = 0.0652 0.0451-0.0218 ( 4070 PWs) bands (ev): -16.3500 -16.3491 -15.0046 -15.0013 -14.3651 -14.3609 -13.8049 -13.8043 -13.7070 -13.7025 -13.3420 -13.3360 -5.2444 -5.2401 -4.6069 -4.6046 -3.4255 -3.4217 -2.7495 -2.7143 -2.6250 -2.6068 -1.2153 -1.1499 -0.3443 -0.3115 -0.0031 0.1152 0.3224 0.3615 1.1173 1.1882 1.4151 1.5695 1.6951 1.7602 2.3064 2.3177 2.3770 2.3946 2.4997 2.5377 2.7887 2.7936 2.9942 2.9981 3.1904 3.1923 3.3330 3.3344 8.1270 8.2753 9.8221 9.9654 10.4313 10.4725 10.9746 11.0798 12.1951 12.3042 k = 0.0761 0.0526-0.0254 ( 4077 PWs) bands (ev): -16.3425 -16.3414 -15.0043 -15.0005 -14.3637 -14.3589 -13.8141 -13.8137 -13.7065 -13.7015 -13.3484 -13.3414 -5.2448 -5.2396 -4.6308 -4.6279 -3.4124 -3.4080 -2.7407 -2.7076 -2.5910 -2.5773 -1.2251 -1.1497 -0.3714 -0.3286 -0.0125 0.1077 0.3277 0.3639 1.1116 1.1827 1.4070 1.5629 1.6514 1.7457 2.3211 2.3312 2.3806 2.3954 2.5337 2.5828 2.7835 2.7891 3.0005 3.0049 3.1874 3.1897 3.3293 3.3309 8.1119 8.2830 9.8025 9.9705 10.4279 10.4594 11.0039 11.1096 12.1950 12.3188 k = 0.0870 0.0601-0.0291 ( 4077 PWs) bands (ev): -16.3338 -16.3326 -15.0039 -14.9996 -14.3622 -14.3567 -13.8245 -13.8241 -13.7062 -13.7006 -13.3555 -13.3476 -5.2469 -5.2406 -4.6551 -4.6515 -3.3978 -3.3929 -2.7306 -2.6996 -2.5539 -2.5447 -1.2351 -1.1499 -0.4017 -0.3482 -0.0198 0.0990 0.3319 0.3643 1.1051 1.1726 1.3973 1.5409 1.6223 1.7419 2.3350 2.3449 2.3817 2.3949 2.5698 2.6275 2.7796 2.7856 3.0071 3.0121 3.1840 3.1867 3.3256 3.3274 8.0967 8.2896 9.7823 9.9754 10.4185 10.4539 11.0369 11.1400 12.1965 12.3335 k = 0.0978 0.0676-0.0327 ( 4082 PWs) bands (ev): -16.3240 -16.3227 -15.0034 -14.9986 -14.3606 -14.3546 -13.8359 -13.8357 -13.7059 -13.6998 -13.3633 -13.3545 -5.2514 -5.2438 -4.6784 -4.6741 -3.3819 -3.3765 -2.7193 -2.6901 -2.5144 -2.5093 -1.2452 -1.1506 -0.4346 -0.3701 -0.0255 0.0896 0.3343 0.3625 1.0962 1.1586 1.3838 1.5047 1.6125 1.7464 2.3467 2.3582 2.3831 2.3951 2.6039 2.6667 2.7799 2.7851 3.0139 3.0195 3.1800 3.1832 3.3222 3.3243 8.0815 8.2953 9.7617 9.9802 10.4010 10.4587 11.0725 11.1708 12.1995 12.3479 k = 0.1087 0.0752-0.0363 ( 4078 PWs) bands (ev): -16.3131 -16.3116 -15.0028 -14.9975 -14.3590 -14.3524 -13.8484 -13.8483 -13.7057 -13.6991 -13.3717 -13.3621 -5.2589 -5.2500 -4.6996 -4.6944 -3.3648 -3.3591 -2.7066 -2.6792 -2.4730 -2.4717 -1.2554 -1.1516 -0.4694 -0.3940 -0.0302 0.0797 0.3349 0.3587 1.0826 1.1422 1.3658 1.4649 1.6165 1.7558 2.3533 2.3676 2.3894 2.3998 2.6319 2.6927 2.7866 2.7950 3.0207 3.0269 3.1755 3.1792 3.3195 3.3219 8.0664 8.2999 9.7410 9.9853 10.3804 10.4694 11.1101 11.2020 12.2039 12.3621 k = 0.1196 0.0827-0.0400 ( 4079 PWs) bands (ev): -16.3010 -16.2994 -15.0021 -14.9964 -14.3574 -14.3504 -13.8619 -13.8617 -13.7057 -13.6985 -13.3808 -13.3703 -5.2705 -5.2602 -4.7173 -4.7112 -3.3468 -3.3407 -2.6926 -2.6668 -2.4322 -2.4301 -1.2654 -1.1527 -0.5055 -0.4197 -0.0343 0.0693 0.3334 0.3530 1.0619 1.1250 1.3438 1.4288 1.6297 1.7678 2.3536 2.3698 2.4025 2.4119 2.6500 2.7010 2.7991 2.8224 3.0272 3.0342 3.1705 3.1748 3.3180 3.3208 8.0514 8.3034 9.7207 9.9908 10.3590 10.4837 11.1490 11.2333 12.2096 12.3759 k = 0.1304 0.0902-0.0436 ( 4081 PWs) bands (ev): -16.2878 -16.2861 -15.0013 -14.9952 -14.3561 -14.3485 -13.8763 -13.8759 -13.7057 -13.6980 -13.3903 -13.3791 -5.2868 -5.2751 -4.7303 -4.7233 -3.3281 -3.3218 -2.6774 -2.6529 -2.3913 -2.3862 -1.2752 -1.1539 -0.5425 -0.4469 -0.0382 0.0583 0.3303 0.3458 1.0332 1.1064 1.3200 1.4000 1.6489 1.7806 2.3503 2.3681 2.4190 2.4292 2.6572 2.6980 2.8195 2.8584 3.0332 3.0413 3.1651 3.1700 3.3181 3.3215 8.0367 8.3059 9.7009 9.9970 10.3380 10.5009 11.1886 11.2650 12.2165 12.3892 k = 0.1413 0.0977-0.0472 ( 4084 PWs) bands (ev): -16.2735 -16.2716 -15.0004 -14.9940 -14.3550 -14.3470 -13.8914 -13.8909 -13.7058 -13.6975 -13.4003 -13.3883 -5.3080 -5.2951 -4.7378 -4.7300 -3.3090 -3.3025 -2.6608 -2.6375 -2.3494 -2.3417 -1.2846 -1.1549 -0.5797 -0.4752 -0.0427 0.0465 0.3257 0.3373 0.9979 1.0836 1.2980 1.3787 1.6721 1.7933 2.3454 2.3650 2.4374 2.4487 2.6559 2.6902 2.8449 2.8952 3.0384 3.0480 3.1595 3.1651 3.3205 3.3246 8.0223 8.3073 9.6819 10.0038 10.3179 10.5204 11.2286 11.2968 12.2246 12.4018 k = 0.1522 0.1052-0.0509 ( 4084 PWs) bands (ev): -16.2582 -16.2561 -14.9994 -14.9926 -14.3543 -14.3460 -13.9072 -13.9065 -13.7060 -13.6972 -13.4106 -13.3980 -5.3343 -5.3202 -4.7395 -4.7310 -3.2896 -3.2830 -2.6428 -2.6206 -2.3070 -2.2970 -1.2936 -1.1555 -0.6169 -0.5043 -0.0481 0.0335 0.3203 0.3284 0.9578 1.0543 1.2814 1.3635 1.6973 1.8051 2.3398 2.3615 2.4570 2.4686 2.6497 2.6809 2.8716 2.9289 3.0426 3.0545 3.1543 3.1606 3.3257 3.3309 8.0083 8.3077 9.6640 10.0112 10.2992 10.5417 11.2686 11.3288 12.2336 12.4138 k = 0.1630 0.1127-0.0545 ( 4088 PWs) bands (ev): -16.2417 -16.2395 -14.9984 -14.9913 -14.3542 -14.3456 -13.9235 -13.9226 -13.7063 -13.6969 -13.4212 -13.4080 -5.3652 -5.3503 -4.7353 -4.7264 -3.2702 -3.2636 -2.6235 -2.6023 -2.2643 -2.2525 -1.3020 -1.1558 -0.6536 -0.5338 -0.0549 0.0191 0.3143 0.3195 0.9144 1.0183 1.2714 1.3528 1.7230 1.8154 2.3340 2.3580 2.4774 2.4872 2.6411 2.6719 2.8965 2.9566 3.0455 3.0607 3.1505 3.1576 3.3340 3.3408 7.9947 8.3072 9.6475 10.0192 10.2823 10.5645 11.3086 11.3609 12.2436 12.4251 k = 0.1739 0.1203-0.0581 ( 4084 PWs) bands (ev): -16.2241 -16.2219 -14.9973 -14.9899 -14.3548 -14.3460 -13.9400 -13.9390 -13.7066 -13.6967 -13.4321 -13.4182 -5.4003 -5.3847 -4.7257 -4.7165 -3.2511 -3.2445 -2.6030 -2.5826 -2.2217 -2.2085 -1.3097 -1.1555 -0.6894 -0.5632 -0.0637 0.0031 0.3077 0.3121 0.8688 0.9770 1.2672 1.3453 1.7482 1.8237 2.3283 2.3545 2.4976 2.5028 2.6318 2.6657 2.9177 2.9765 3.0466 3.0655 3.1491 3.1581 3.3458 3.3548 7.9817 8.3056 9.6323 10.0276 10.2676 10.5884 11.3482 11.3932 12.2543 12.4358 k = 0.1848 0.1278-0.0618 ( 4088 PWs) bands (ev): -16.2055 -16.2032 -14.9961 -14.9884 -14.3563 -14.3475 -13.9566 -13.9556 -13.7071 -13.6966 -13.4431 -13.4287 -5.4387 -5.4227 -4.7111 -4.7017 -3.2325 -3.2260 -2.5813 -2.5616 -2.1795 -2.1653 -1.3166 -1.1544 -0.7239 -0.5924 -0.0748 -0.0146 0.3009 0.3068 0.8219 0.9321 1.2671 1.3401 1.7715 1.8296 2.3231 2.3509 2.5110 2.5187 2.6237 2.6649 2.9341 2.9888 3.0452 3.0665 3.1508 3.1646 3.3610 3.3732 7.9693 8.3032 9.6187 10.0360 10.2556 10.6131 11.3874 11.4256 12.2656 12.4457 k = 0.1957 0.1353-0.0654 ( 4084 PWs) bands (ev): -16.1859 -16.1834 -14.9948 -14.9870 -14.3590 -14.3503 -13.9731 -13.9721 -13.7076 -13.6965 -13.4542 -13.4393 -5.4798 -5.4634 -4.6920 -4.6826 -3.2145 -3.2081 -2.5586 -2.5395 -2.1381 -2.1233 -1.3227 -1.1525 -0.7568 -0.6207 -0.0886 -0.0341 0.2951 0.3034 0.7742 0.8853 1.2699 1.3365 1.7920 1.8329 2.3184 2.3471 2.5131 2.5351 2.6190 2.6717 2.9455 2.9952 3.0409 3.0628 3.1560 3.1773 3.3796 3.3958 7.9576 8.3000 9.6068 10.0439 10.2468 10.6383 11.4260 11.4580 12.2775 12.4548 k = 0.2065 0.1428-0.0690 ( 4089 PWs) bands (ev): -16.1653 -16.1627 -14.9936 -14.9855 -14.3631 -14.3546 -13.9891 -13.9882 -13.7082 -13.6966 -13.4652 -13.4499 -5.5229 -5.5063 -4.6692 -4.6598 -3.1974 -3.1912 -2.5351 -2.5165 -2.0975 -2.0826 -1.3277 -1.1497 -0.7877 -0.6480 -0.1052 -0.0552 0.2910 0.3017 0.7263 0.8374 1.2743 1.3341 1.8083 1.8337 2.3142 2.3426 2.5078 2.5449 2.6221 2.6858 2.9522 2.9976 3.0338 3.0552 3.1645 3.1936 3.4012 3.4222 7.9466 8.2960 9.5966 10.0507 10.2418 10.6637 11.4640 11.4905 12.2897 12.4632 k = 0.2174 0.1503-0.0727 ( 4084 PWs) bands (ev): -16.1436 -16.1410 -14.9923 -14.9841 -14.3689 -14.3607 -14.0043 -14.0035 -13.7089 -13.6967 -13.4761 -13.4605 -5.5673 -5.5506 -4.6430 -4.6337 -3.1814 -3.1751 -2.5112 -2.4930 -2.0582 -2.0435 -1.3316 -1.1458 -0.8162 -0.6737 -0.1245 -0.0778 0.2892 0.3017 0.6785 0.7893 1.2796 1.3322 1.8184 1.8332 2.3102 2.3367 2.4976 2.5460 2.6351 2.7051 2.9552 2.9979 3.0246 3.0454 3.1757 3.2114 3.4254 3.4517 7.9364 8.2913 9.5881 10.0557 10.2411 10.6891 11.5012 11.5231 12.3022 12.4708 k = 0.2283 0.1578-0.0763 ( 4090 PWs) bands (ev): -16.1210 -16.1182 -14.9910 -14.9827 -14.3766 -14.3689 -14.0185 -14.0179 -13.7098 -13.6971 -13.4869 -13.4709 -5.6125 -5.5958 -4.6139 -4.6047 -3.1665 -3.1600 -2.4873 -2.4694 -2.0202 -2.0062 -1.3341 -1.1407 -0.8420 -0.6976 -0.1463 -0.1016 0.2896 0.3036 0.6311 0.7412 1.2851 1.3307 1.8183 1.8348 2.3059 2.3288 2.4852 2.5419 2.6548 2.7272 2.9558 2.9971 3.0140 3.0346 3.1887 3.2295 3.4517 3.4834 7.9270 8.2859 9.5814 10.0585 10.2450 10.7142 11.5377 11.5555 12.3148 12.4777 k = 0.2391 0.1654-0.0799 ( 4085 PWs) bands (ev): -16.0974 -16.0946 -14.9898 -14.9814 -14.3864 -14.3794 -14.0316 -14.0308 -13.7109 -13.6977 -13.4973 -13.4811 -5.6581 -5.6414 -4.5822 -4.5733 -3.1528 -3.1460 -2.4639 -2.4462 -1.9837 -1.9708 -1.3352 -1.1344 -0.8645 -0.7192 -0.1703 -0.1263 0.2922 0.3073 0.5842 0.6935 1.2905 1.3291 1.8103 1.8359 2.3001 2.3181 2.4727 2.5366 2.6773 2.7505 2.9551 2.9956 3.0029 3.0244 3.2027 3.2476 3.4794 3.5167 7.9186 8.2800 9.5764 10.0589 10.2536 10.7388 11.5734 11.5879 12.3274 12.4837 k = 0.2500 0.1729-0.0836 ( 4086 PWs) bands (ev): -16.0729 -16.0700 -14.9887 -14.9802 -14.3986 -14.3924 -14.0432 -14.0421 -13.7122 -13.6986 -13.5073 -13.4910 -5.7037 -5.6871 -4.5484 -4.5396 -3.1404 -3.1330 -2.4416 -2.4240 -1.9488 -1.9372 -1.3346 -1.1268 -0.8835 -0.7384 -0.1957 -0.1517 0.2968 0.3126 0.5382 0.6465 1.2952 1.3273 1.7982 1.8328 2.2916 2.3041 2.4618 2.5318 2.7005 2.7735 2.9540 2.9912 2.9936 3.0168 3.2174 3.2655 3.5082 3.5507 7.9111 8.2736 9.5732 10.0572 10.2664 10.7626 11.6084 11.6201 12.3398 12.4889 k = 0.2609 0.1804-0.0872 ( 4085 PWs) bands (ev): -16.0475 -16.0445 -14.9877 -14.9791 -14.4131 -14.4079 -14.0533 -14.0515 -13.7139 -13.6999 -13.5168 -13.5005 -5.7488 -5.7325 -4.5125 -4.5040 -3.1291 -3.1210 -2.4213 -2.4036 -1.9153 -1.9053 -1.3321 -1.1179 -0.8986 -0.7546 -0.2223 -0.1775 0.3032 0.3196 0.4932 0.6003 1.2991 1.3251 1.7827 1.8249 2.2791 2.2867 2.4539 2.5283 2.7226 2.7952 2.9534 2.9818 2.9877 3.0144 3.2325 3.2834 3.5374 3.5849 7.9045 8.2667 9.5716 10.0535 10.2829 10.7854 11.6425 11.6520 12.3520 12.4933 k = 0.2717 0.1879-0.0908 ( 4085 PWs) bands (ev): -16.0212 -16.0182 -14.9868 -14.9783 -14.4301 -14.4259 -14.0617 -14.0592 -13.7160 -13.7017 -13.5256 -13.5095 -5.7934 -5.7774 -4.4750 -4.4667 -3.1191 -3.1101 -2.4036 -2.3858 -1.8833 -1.8749 -1.3275 -1.1076 -0.9097 -0.7679 -0.2493 -0.2034 0.3108 0.3281 0.4498 0.5551 1.3019 1.3222 1.7644 1.8124 2.2620 2.2660 2.4492 2.5259 2.7428 2.8141 2.9541 2.9741 2.9806 3.0173 3.2480 3.3015 3.5668 3.6188 7.8990 8.2594 9.5717 10.0485 10.3023 10.8070 11.6758 11.6837 12.3639 12.4968 k = 0.2826 0.1954-0.0945 ( 4083 PWs) bands (ev): -15.9941 -15.9910 -14.9862 -14.9776 -14.4493 -14.4463 -14.0683 -14.0651 -13.7185 -13.7040 -13.5337 -13.5178 -5.8371 -5.8214 -4.4361 -4.4280 -3.1100 -3.1001 -2.3895 -2.3714 -1.8525 -1.8456 -1.3206 -1.0959 -0.9166 -0.7780 -0.2765 -0.2291 0.3180 0.3379 0.4091 0.5111 1.3033 1.3187 1.7434 1.7956 2.2404 2.2426 2.4474 2.5239 2.7602 2.8288 2.9552 2.9694 2.9761 3.0242 3.2639 3.3199 3.5960 3.6519 7.8945 8.2517 9.5733 10.0424 10.3241 10.8273 11.7082 11.7150 12.3752 12.4996 k = 0.2935 0.2029-0.0981 ( 4084 PWs) bands (ev): -15.9661 -15.9631 -14.9858 -14.9773 -14.4707 -14.4688 -14.0733 -14.0694 -13.7216 -13.7070 -13.5409 -13.5255 -5.8796 -5.8643 -4.3958 -4.3880 -3.1019 -3.0910 -2.3795 -2.3612 -1.8226 -1.8170 -1.3113 -1.0829 -0.9192 -0.7848 -0.3033 -0.2545 0.3195 0.3486 0.3763 0.4690 1.3032 1.3144 1.7202 1.7750 2.2150 2.2170 2.4472 2.5216 2.7746 2.8384 2.9543 2.9651 2.9817 3.0340 3.2805 3.3386 3.6246 3.6841 7.8910 8.2436 9.5765 10.0354 10.3477 10.8461 11.7399 11.7458 12.3860 12.5016 k = 0.3043 0.2105-0.1017 ( 4086 PWs) bands (ev): -15.9374 -15.9344 -14.9859 -14.9774 -14.4939 -14.4931 -14.0769 -14.0722 -13.7253 -13.7106 -13.5472 -13.5324 -5.9209 -5.9061 -4.3546 -4.3470 -3.0946 -3.0826 -2.3745 -2.3558 -1.7933 -1.7888 -1.2994 -1.0688 -0.9177 -0.7883 -0.3293 -0.2791 0.3008 0.3569 0.3669 0.4307 1.3013 1.3093 1.6949 1.7510 2.1869 2.1894 2.4474 2.5184 2.7863 2.8431 2.9526 2.9617 2.9958 3.0459 3.2979 3.3580 3.6525 3.7149 7.8887 8.2351 9.5810 10.0277 10.3729 10.8632 11.7706 11.7762 12.3960 12.5028 k = 0.3152 0.2180-0.1054 ( 4088 PWs) bands (ev): -15.9080 -15.9049 -14.9864 -14.9779 -14.5189 -14.5186 -14.0790 -14.0738 -13.7295 -13.7150 -13.5526 -13.5384 -5.9607 -5.9464 -4.3125 -4.3052 -3.0879 -3.0749 -2.3747 -2.3556 -1.7646 -1.7606 -1.2850 -1.0537 -0.9121 -0.7886 -0.3543 -0.3028 0.2666 0.3517 0.3780 0.4057 1.2974 1.3036 1.6680 1.7242 2.1571 2.1603 2.4472 2.5136 2.7957 2.8444 2.9518 2.9604 3.0146 3.0592 3.3162 3.3778 3.6795 3.7443 7.8874 8.2262 9.5869 10.0195 10.3992 10.8784 11.8005 11.8060 12.4052 12.5033 k = 0.3261 0.2255-0.1090 ( 4099 PWs) bands (ev): -15.8779 -15.8748 -14.9875 -14.9791 -14.5457 -14.5445 -14.0800 -14.0743 -13.7344 -13.7202 -13.5569 -13.5436 -5.9990 -5.9852 -4.2698 -4.2628 -3.0818 -3.0678 -2.3805 -2.3609 -1.7362 -1.7324 -1.2680 -1.0377 -0.9029 -0.7857 -0.3780 -0.3255 0.2289 0.3249 0.3932 0.4059 1.2912 1.2970 1.6397 1.6950 2.1263 2.1303 2.4458 2.5070 2.8037 2.8439 2.9525 2.9610 3.0354 3.0731 3.3357 3.3982 3.7055 3.7720 7.8872 8.2169 9.5939 10.0107 10.4263 10.8918 11.8295 11.8351 12.4134 12.5032 k = 0.3370 0.2330-0.1126 ( 4099 PWs) bands (ev): -15.8471 -15.8441 -14.9894 -14.9810 -14.5733 -14.5711 -14.0800 -14.0738 -13.7398 -13.7260 -13.5603 -13.5480 -6.0354 -6.0222 -4.2267 -4.2200 -3.0759 -3.0610 -2.3917 -2.3715 -1.7083 -1.7040 -1.2486 -1.0213 -0.8903 -0.7798 -0.4002 -0.3470 0.1910 0.2887 0.4103 0.4184 1.2830 1.2891 1.6107 1.6642 2.0950 2.0996 2.4427 2.4984 2.8108 2.8430 2.9546 2.9634 3.0566 3.0871 3.3565 3.4191 3.7301 3.7979 7.8882 8.2073 9.6021 10.0013 10.4540 10.9032 11.8576 11.8635 12.4206 12.5024 k = 0.3478 0.2405-0.1163 ( 4101 PWs) bands (ev): -15.8158 -15.8128 -14.9921 -14.9838 -14.6012 -14.5981 -14.0791 -14.0726 -13.7458 -13.7324 -13.5628 -13.5515 -6.0701 -6.0575 -4.1835 -4.1770 -3.0703 -3.0544 -2.4080 -2.3873 -1.6811 -1.6758 -1.2268 -1.0045 -0.8746 -0.7710 -0.4206 -0.3671 0.1535 0.2508 0.4287 0.4349 1.2730 1.2793 1.5814 1.6321 2.0636 2.0689 2.4378 2.4879 2.8175 2.8425 2.9583 2.9671 3.0770 3.1006 3.3785 3.4404 3.7535 3.8219 7.8902 8.1972 9.6113 9.9915 10.4821 10.9125 11.8848 11.8911 12.4267 12.5010 k = 0.3587 0.2480-0.1199 ( 4106 PWs) bands (ev): -15.7840 -15.7811 -14.9961 -14.9878 -14.6290 -14.6251 -14.0775 -14.0708 -13.7522 -13.7394 -13.5645 -13.5542 -6.1027 -6.0908 -4.1404 -4.1342 -3.0646 -3.0478 -2.4290 -2.4077 -1.6548 -1.6481 -1.2029 -0.9878 -0.8563 -0.7595 -0.4391 -0.3857 0.1168 0.2128 0.4482 0.4536 1.2611 1.2672 1.5526 1.5996 2.0326 2.0384 2.4310 2.4757 2.8240 2.8429 2.9631 2.9718 3.0959 3.1134 3.4018 3.4618 3.7755 3.8438 7.8934 8.1867 9.6215 9.9811 10.5104 10.9198 11.9110 11.9179 12.4316 12.4990 k = 0.3696 0.2556-0.1235 ( 4108 PWs) bands (ev): -15.7517 -15.7489 -15.0014 -14.9933 -14.6561 -14.6515 -14.0754 -14.0685 -13.7590 -13.7467 -13.5655 -13.5563 -6.1332 -6.1221 -4.0977 -4.0918 -3.0587 -3.0411 -2.4541 -2.4323 -1.6298 -1.6212 -1.1772 -0.9713 -0.8358 -0.7455 -0.4556 -0.4029 0.0809 0.1752 0.4688 0.4740 1.2472 1.2523 1.5248 1.5673 2.0024 2.0086 2.4227 2.4623 2.8305 2.8443 2.9691 2.9774 3.1128 3.1252 3.4260 3.4833 3.7960 3.8635 7.8977 8.1758 9.6325 9.9701 10.5388 10.9249 11.9362 11.9436 12.4353 12.4966 k = 0.3804 0.2631-0.1272 ( 4088 PWs) bands (ev): -15.7191 -15.7164 -15.0084 -15.0005 -14.6821 -14.6770 -14.0728 -14.0658 -13.7659 -13.7542 -13.5660 -13.5578 -6.1616 -6.1513 -4.0558 -4.0501 -3.0523 -3.0340 -2.4827 -2.4604 -1.6063 -1.5957 -1.1499 -0.9554 -0.8134 -0.7293 -0.4700 -0.4186 0.0460 0.1382 0.4903 0.4957 1.2310 1.2343 1.4988 1.5362 1.9733 1.9796 2.4131 2.4480 2.8368 2.8467 2.9757 2.9836 3.1278 3.1359 3.4509 3.5045 3.8150 3.8811 7.9030 8.1645 9.6443 9.9587 10.5670 10.9279 11.9603 11.9684 12.4379 12.4937 k = 0.3913 0.2706-0.1308 ( 4084 PWs) bands (ev): -15.6863 -15.6838 -15.0174 -15.0097 -14.7064 -14.7009 -14.0698 -14.0629 -13.7729 -13.7619 -13.5660 -13.5588 -6.1877 -6.1782 -4.0150 -4.0096 -3.0453 -3.0263 -2.5141 -2.4914 -1.5845 -1.5720 -1.1216 -0.9404 -0.7897 -0.7112 -0.4822 -0.4328 0.0122 0.1019 0.5127 0.5187 1.2116 1.2136 1.4752 1.5070 1.9456 1.9520 2.4027 2.4332 2.8428 2.8498 2.9828 2.9901 3.1406 3.1455 3.4759 3.5252 3.8325 3.8964 7.9094 8.1527 9.6568 9.9467 10.5950 10.9288 11.9832 11.9919 12.4394 12.4903 k = 0.4022 0.2781-0.1344 ( 4084 PWs) bands (ev): -15.6535 -15.6511 -15.0285 -15.0212 -14.7285 -14.7229 -14.0666 -14.0599 -13.7798 -13.7695 -13.5657 -13.5594 -6.2115 -6.2029 -3.9757 -3.9706 -3.0374 -3.0178 -2.5478 -2.5247 -1.5646 -1.5504 -1.0926 -0.9264 -0.7651 -0.6914 -0.4922 -0.4454 -0.0205 0.0662 0.5360 0.5426 1.1877 1.1911 1.4545 1.4804 1.9195 1.9258 2.3919 2.4184 2.8485 2.8536 2.9902 2.9968 3.1515 3.1539 3.5007 3.5451 3.8485 3.9095 7.9168 8.1406 9.6698 9.9342 10.6226 10.9277 12.0049 12.0140 12.4400 12.4864 k = 0.4130 0.2856-0.1381 ( 4087 PWs) bands (ev): -15.6208 -15.6186 -15.0420 -15.0352 -14.7481 -14.7425 -14.0633 -14.0568 -13.7865 -13.7770 -13.5651 -13.5598 -6.2330 -6.2252 -3.9383 -3.9336 -3.0284 -3.0082 -2.5830 -2.5597 -1.5467 -1.5313 -1.0637 -0.9139 -0.7399 -0.6704 -0.5000 -0.4566 -0.0519 0.0314 0.5601 0.5674 1.1604 1.1664 1.4369 1.4572 1.8954 1.9014 2.3811 2.4040 2.8537 2.8579 2.9975 3.0034 3.1604 3.1614 3.5247 3.5638 3.8631 3.9202 7.9252 8.1280 9.6834 9.9211 10.6496 10.9245 12.0251 12.0347 12.4399 12.4822 k = 0.4239 0.2931-0.1417 ( 4081 PWs) bands (ev): -15.5885 -15.5865 -15.0578 -15.0516 -14.7648 -14.7594 -14.0599 -14.0538 -13.7927 -13.7841 -13.5644 -13.5599 -6.2519 -6.2450 -3.9035 -3.8991 -3.0180 -2.9972 -2.6193 -2.5958 -1.5307 -1.5147 -1.0353 -0.9030 -0.7145 -0.6488 -0.5057 -0.4663 -0.0816 -0.0025 0.5848 0.5929 1.1307 1.1391 1.4222 1.4375 1.8734 1.8791 2.3707 2.3903 2.8584 2.8622 3.0046 3.0098 3.1673 3.1682 3.5474 3.5811 3.8762 3.9288 7.9345 8.1150 9.6975 9.9076 10.6759 10.9193 12.0439 12.0536 12.4393 12.4775 k = 0.4348 0.3007-0.1453 ( 4076 PWs) bands (ev): -15.5570 -15.5552 -15.0755 -15.0702 -14.7786 -14.7737 -14.0566 -14.0510 -13.7984 -13.7908 -13.5636 -13.5598 -6.2684 -6.2624 -3.8716 -3.8676 -3.0060 -2.9848 -2.6558 -2.6323 -1.5167 -1.5009 -1.0081 -0.8940 -0.6895 -0.6276 -0.5091 -0.4746 -0.1092 -0.0354 0.6101 0.6187 1.0996 1.1098 1.4103 1.4214 1.8539 1.8590 2.3612 2.3776 2.8627 2.8663 3.0113 3.0158 3.1727 3.1741 3.5683 3.5967 3.8881 3.9352 7.9447 8.1018 9.7119 9.8937 10.7015 10.9122 12.0609 12.0705 12.4384 12.4725 k = 0.4457 0.3082-0.1490 ( 4078 PWs) bands (ev): -15.5267 -15.5252 -15.0946 -15.0901 -14.7895 -14.7853 -14.0534 -14.0485 -13.8034 -13.7968 -13.5628 -13.5597 -6.2823 -6.2773 -3.8432 -3.8398 -2.9922 -2.9707 -2.6920 -2.6686 -1.5046 -1.4898 -0.9827 -0.8874 -0.6653 -0.6081 -0.5102 -0.4813 -0.1341 -0.0669 0.6356 0.6444 1.0683 1.0794 1.4008 1.4085 1.8370 1.8415 2.3527 2.3662 2.8665 2.8698 3.0173 3.0210 3.1771 3.1788 3.5871 3.6103 3.8986 3.9395 7.9556 8.0883 9.7267 9.8793 10.7262 10.9032 12.0761 12.0852 12.4377 12.4673 k = 0.4565 0.3157-0.1526 ( 4085 PWs) bands (ev): -15.4985 -15.4972 -15.1141 -15.1105 -14.7978 -14.7944 -14.0505 -14.0464 -13.8076 -13.8021 -13.5620 -13.5596 -6.2937 -6.2897 -3.8190 -3.8161 -2.9764 -2.9550 -2.7269 -2.7040 -1.4943 -1.4814 -0.9596 -0.8832 -0.6425 -0.5918 -0.5088 -0.4864 -0.1553 -0.0965 0.6606 0.6694 1.0379 1.0492 1.3935 1.3987 1.8230 1.8267 2.3457 2.3563 2.8699 2.8728 3.0225 3.0255 3.1807 3.1824 3.6034 3.6215 3.9080 3.9419 7.9672 8.0745 9.7418 9.8646 10.7498 10.8924 12.0893 12.0974 12.4373 12.4619 k = 0.4674 0.3232-0.1562 ( 4081 PWs) bands (ev): -15.4734 -15.4724 -15.1327 -15.1300 -14.8039 -14.8012 -14.0480 -14.0448 -13.8108 -13.8066 -13.5613 -13.5595 -6.3024 -6.2994 -3.7994 -3.7971 -2.9588 -2.9381 -2.7596 -2.7377 -1.4859 -1.4755 -0.9391 -0.8818 -0.6218 -0.5805 -0.5052 -0.4899 -0.1716 -0.1237 0.6842 0.6924 1.0103 1.0206 1.3881 1.3914 1.8120 1.8148 2.3403 2.3482 2.8727 2.8751 3.0268 3.0291 3.1834 3.1849 3.6168 3.6302 3.9164 3.9425 7.9795 8.0606 9.7571 9.8497 10.7724 10.8799 12.1002 12.1069 12.4375 12.4566 k = 0.4783 0.3307-0.1598 ( 4084 PWs) bands (ev): -15.4530 -15.4523 -15.1484 -15.1466 -14.8078 -14.8061 -14.0460 -14.0438 -13.8130 -13.8101 -13.5607 -13.5596 -6.3086 -6.3065 -3.7849 -3.7833 -2.9401 -2.9216 -2.7878 -2.7686 -1.4792 -1.4720 -0.9215 -0.8834 -0.6040 -0.5750 -0.5004 -0.4918 -0.1817 -0.1473 0.7049 0.7115 0.9877 0.9959 1.3844 1.3864 1.8041 1.8061 2.3366 2.3419 2.8749 2.8766 3.0301 3.0316 3.1855 3.1866 3.6272 3.6359 3.9236 3.9414 7.9923 8.0467 9.7725 9.8344 10.7938 10.8657 12.1087 12.1134 12.4385 12.4516 k = 0.4891 0.3382-0.1635 ( 4083 PWs) bands (ev): -15.4393 -15.4390 -15.1591 -15.1582 -14.8099 -14.8091 -14.0445 -14.0434 -13.8140 -13.8126 -13.5602 -13.5597 -6.3120 -6.3110 -3.7758 -3.7750 -2.9220 -2.9095 -2.8070 -2.7942 -1.4745 -1.4707 -0.9071 -0.8880 -0.5900 -0.5751 -0.4963 -0.4927 -0.1843 -0.1662 0.7202 0.7240 0.9732 0.9779 1.3824 1.3833 1.7996 1.8006 2.3349 2.3376 2.8765 2.8773 3.0323 3.0330 3.1868 3.1874 3.6343 3.6386 3.9298 3.9388 8.0055 8.0328 9.7880 9.8191 10.8139 10.8500 12.1143 12.1168 12.4405 12.4472 k = 0.5000 0.3458-0.1671 ( 4086 PWs) bands (ev): -15.4344 -15.4344 -15.1627 -15.1627 -14.8103 -14.8103 -14.0436 -14.0436 -13.8139 -13.8139 -13.5599 -13.5599 -6.3129 -6.3129 -3.7725 -3.7725 -2.9094 -2.9094 -2.8094 -2.8094 -1.4716 -1.4716 -0.8959 -0.8959 -0.5802 -0.5802 -0.4938 -0.4938 -0.1789 -0.1789 0.7272 0.7272 0.9697 0.9697 1.3820 1.3820 1.7984 1.7984 2.3352 2.3352 2.8772 2.8772 3.0332 3.0332 3.1875 3.1875 3.6381 3.6381 3.9349 3.9349 8.0190 8.0190 9.8036 9.8036 10.8327 10.8327 12.1171 12.1171 12.4434 12.4434 k = 0.5000 0.3458-0.1671 ( 4086 PWs) bands (ev): -15.4344 -15.4344 -15.1627 -15.1627 -14.8103 -14.8103 -14.0436 -14.0436 -13.8139 -13.8139 -13.5599 -13.5599 -6.3129 -6.3129 -3.7725 -3.7725 -2.9094 -2.9094 -2.8094 -2.8094 -1.4716 -1.4716 -0.8959 -0.8959 -0.5802 -0.5802 -0.4938 -0.4938 -0.1789 -0.1789 0.7272 0.7272 0.9697 0.9697 1.3820 1.3820 1.7984 1.7984 2.3352 2.3352 2.8772 2.8772 3.0332 3.0332 3.1875 3.1875 3.6381 3.6381 3.9349 3.9349 8.0190 8.0190 9.8036 9.8036 10.8327 10.8327 12.1171 12.1171 12.4434 12.4434 k = 0.5029 0.3478-0.1543 ( 4086 PWs) bands (ev): -15.4346 -15.4346 -15.1625 -15.1624 -14.8106 -14.8102 -14.0444 -14.0434 -13.8140 -13.8130 -13.5602 -13.5598 -6.3121 -6.3114 -3.7753 -3.7739 -2.9126 -2.9082 -2.8113 -2.8068 -1.4702 -1.4692 -0.8995 -0.8939 -0.5867 -0.5747 -0.5010 -0.4841 -0.1816 -0.1741 0.7265 0.7273 0.9681 0.9693 1.3813 1.3821 1.7978 1.8015 2.3286 2.3387 2.8766 2.8788 3.0314 3.0375 3.1863 3.1877 3.6373 3.6379 3.9327 3.9369 8.0159 8.0225 9.7991 9.8082 10.8275 10.8368 12.1169 12.1175 12.4365 12.4496 k = 0.5058 0.3498-0.1414 ( 4083 PWs) bands (ev): -15.4352 -15.4351 -15.1619 -15.1616 -14.8109 -14.8102 -14.0458 -14.0438 -13.8134 -13.8114 -13.5606 -13.5599 -6.3093 -6.3079 -3.7822 -3.7795 -2.9177 -2.9093 -2.8122 -2.8036 -1.4650 -1.4632 -0.9046 -0.8934 -0.5934 -0.5709 -0.5046 -0.4728 -0.1821 -0.1672 0.7251 0.7268 0.9647 0.9671 1.3800 1.3815 1.7997 1.8070 2.3192 2.3389 2.8767 2.8812 3.0321 3.0440 3.1842 3.1869 3.6353 3.6366 3.9303 3.9387 8.0131 8.0263 9.7948 9.8129 10.8214 10.8398 12.1170 12.1181 12.4292 12.4552 k = 0.5087 0.3518-0.1286 ( 4089 PWs) bands (ev): -15.4361 -15.4360 -15.1608 -15.1603 -14.8114 -14.8103 -14.0478 -14.0449 -13.8120 -13.8092 -13.5612 -13.5602 -6.3043 -6.3022 -3.7931 -3.7892 -2.9244 -2.9127 -2.8119 -2.7998 -1.4565 -1.4539 -0.9112 -0.8946 -0.5995 -0.5690 -0.5042 -0.4605 -0.1804 -0.1585 0.7228 0.7256 0.9599 0.9632 1.3781 1.3803 1.8037 1.8148 2.3076 2.3359 2.8775 2.8846 3.0351 3.0524 3.1812 3.1851 3.6323 3.6341 3.9277 3.9403 8.0106 8.0304 9.7906 9.8176 10.8144 10.8417 12.1172 12.1190 12.4214 12.4598 k = 0.5116 0.3538-0.1158 ( 4087 PWs) bands (ev): -15.4374 -15.4373 -15.1592 -15.1586 -14.8119 -14.8105 -14.0502 -14.0465 -13.8100 -13.8063 -13.5621 -13.5607 -6.2972 -6.2944 -3.8080 -3.8030 -2.9326 -2.9180 -2.8103 -2.7954 -1.4451 -1.4418 -0.9194 -0.8976 -0.6045 -0.5683 -0.4999 -0.4477 -0.1765 -0.1479 0.7195 0.7235 0.9540 0.9581 1.3756 1.3785 1.8094 1.8246 2.2946 2.3298 2.8790 2.8888 3.0401 3.0624 3.1774 3.1825 3.6282 3.6306 3.9249 3.9417 8.0085 8.0347 9.7867 9.8224 10.8065 10.8426 12.1178 12.1202 12.4132 12.4634 k = 0.5145 0.3558-0.1030 ( 4085 PWs) bands (ev): -15.4391 -15.4390 -15.1572 -15.1564 -14.8125 -14.8107 -14.0530 -14.0485 -13.8074 -13.8031 -13.5630 -13.5613 -6.2880 -6.2846 -3.8265 -3.8207 -2.9418 -2.9252 -2.8075 -2.7905 -1.4314 -1.4276 -0.9291 -0.9027 -0.6078 -0.5676 -0.4928 -0.4346 -0.1703 -0.1358 0.7147 0.7202 0.9476 0.9521 1.3724 1.3761 1.8165 1.8359 2.2810 2.3214 2.8810 2.8939 3.0469 3.0736 3.1730 3.1790 3.6230 3.6259 3.9219 3.9430 8.0067 8.0393 9.7831 9.8271 10.7979 10.8424 12.1186 12.1217 12.4047 12.4658 k = 0.5174 0.3578-0.0901 ( 4082 PWs) bands (ev): -15.4412 -15.4411 -15.1547 -15.1538 -14.8131 -14.8109 -14.0560 -14.0510 -13.8043 -13.7994 -13.5642 -13.5621 -6.2769 -6.2729 -3.8485 -3.8422 -2.9517 -2.9336 -2.8033 -2.7850 -1.4163 -1.4122 -0.9404 -0.9098 -0.6089 -0.5655 -0.4837 -0.4215 -0.1621 -0.1221 0.7080 0.7152 0.9414 0.9460 1.3685 1.3730 1.8242 1.8484 2.2678 2.3113 2.8834 2.8996 3.0550 3.0855 3.1682 3.1749 3.6167 3.6201 3.9187 3.9442 8.0052 8.0441 9.7797 9.8319 10.7886 10.8413 12.1197 12.1235 12.3958 12.4666 k = 0.5203 0.3598-0.0773 ( 4088 PWs) bands (ev): -15.4438 -15.4436 -15.1517 -15.1507 -14.8137 -14.8112 -14.0592 -14.0538 -13.8009 -13.7956 -13.5655 -13.5630 -6.2640 -6.2593 -3.8738 -3.8671 -2.9620 -2.9430 -2.7980 -2.7788 -1.4005 -1.3962 -0.9532 -0.9193 -0.6072 -0.5612 -0.4732 -0.4084 -0.1519 -0.1071 0.6992 0.7083 0.9360 0.9404 1.3638 1.3691 1.8319 1.8613 2.2559 2.3005 2.8861 2.9059 3.0638 3.0976 3.1632 3.1703 3.6093 3.6132 3.9153 3.9452 8.0039 8.0491 9.7766 9.8365 10.7787 10.8392 12.1211 12.1257 12.3864 12.4659 k = 0.5232 0.3618-0.0645 ( 4089 PWs) bands (ev): -15.4468 -15.4466 -15.1483 -15.1472 -14.8141 -14.8114 -14.0625 -14.0568 -13.7972 -13.7916 -13.5669 -13.5641 -6.2492 -6.2440 -3.9019 -3.8951 -2.9724 -2.9529 -2.7917 -2.7719 -1.3848 -1.3804 -0.9675 -0.9308 -0.6026 -0.5543 -0.4616 -0.3956 -0.1398 -0.0909 0.6880 0.6991 0.9319 0.9359 1.3582 1.3644 1.8388 1.8738 2.2467 2.2901 2.8891 2.9125 3.0727 3.1096 3.1583 3.1653 3.6008 3.6051 3.9118 3.9462 8.0029 8.0543 9.7738 9.8412 10.7684 10.8363 12.1229 12.1282 12.3767 12.4634 k = 0.5261 0.3638-0.0516 ( 4093 PWs) bands (ev): -15.4504 -15.4500 -15.1445 -15.1432 -14.8145 -14.8114 -14.0657 -14.0599 -13.7933 -13.7876 -13.5685 -13.5653 -6.2328 -6.2271 -3.9325 -3.9259 -2.9826 -2.9630 -2.7843 -2.7644 -1.3699 -1.3657 -0.9831 -0.9444 -0.5950 -0.5446 -0.4490 -0.3831 -0.1260 -0.0736 0.6743 0.6875 0.9296 0.9329 1.3514 1.3587 1.8441 1.8851 2.2410 2.2813 2.8923 2.9192 3.0810 3.1210 3.1536 3.1604 3.5913 3.5960 3.9083 3.9471 8.0020 8.0596 9.7714 9.8457 10.7577 10.8326 12.1250 12.1311 12.3666 12.4590 k = 0.5290 0.3658-0.0388 ( 4096 PWs) bands (ev): -15.4545 -15.4539 -15.1403 -15.1389 -14.8146 -14.8113 -14.0689 -14.0630 -13.7894 -13.7837 -13.5702 -13.5667 -6.2149 -6.2087 -3.9652 -3.9591 -2.9925 -2.9730 -2.7761 -2.7562 -1.3565 -1.3525 -0.9997 -0.9597 -0.5846 -0.5322 -0.4354 -0.3709 -0.1106 -0.0553 0.6584 0.6735 0.9293 0.9321 1.3434 1.3520 1.8473 1.8942 2.2398 2.2756 2.8956 2.9259 3.0880 3.1314 3.1493 3.1563 3.5807 3.5857 3.9048 3.9479 8.0013 8.0651 9.7692 9.8502 10.7467 10.8283 12.1275 12.1343 12.3561 12.4527 k = 0.5319 0.3678-0.0260 ( 4100 PWs) bands (ev): -15.4591 -15.4584 -15.1357 -15.1341 -14.8145 -14.8111 -14.0719 -14.0660 -13.7856 -13.7800 -13.5719 -13.5681 -6.1957 -6.1891 -3.9996 -3.9940 -3.0019 -2.9827 -2.7671 -2.7474 -1.3451 -1.3413 -1.0173 -0.9764 -0.5720 -0.5174 -0.4207 -0.3592 -0.0939 -0.0362 0.6405 0.6572 0.9311 0.9334 1.3337 1.3439 1.8482 1.9005 2.2438 2.2741 2.8988 2.9323 3.0930 3.1396 3.1456 3.1541 3.5691 3.5744 3.9013 3.9488 8.0005 8.0707 9.7673 9.8547 10.7356 10.8235 12.1302 12.1378 12.3454 12.4445 k = 0.5348 0.3698-0.0131 ( 4093 PWs) bands (ev): -15.4642 -15.4634 -15.1307 -15.1290 -14.8142 -14.8105 -14.0746 -14.0689 -13.7819 -13.7766 -13.5738 -13.5696 -6.1753 -6.1684 -4.0351 -4.0303 -3.0107 -2.9920 -2.7572 -2.7380 -1.3361 -1.3323 -1.0355 -0.9942 -0.5578 -0.5005 -0.4048 -0.3482 -0.0759 -0.0163 0.6212 0.6390 0.9352 0.9371 1.3221 1.3342 1.8468 1.9034 2.2531 2.2777 2.9019 2.9382 3.0957 3.1381 3.1495 3.1544 3.5565 3.5621 3.8980 3.9498 7.9997 8.0764 9.7657 9.8591 10.7244 10.8183 12.1332 12.1415 12.3345 12.4343 k = 0.5377 0.3719-0.0003 ( 4091 PWs) bands (ev): -15.4700 -15.4689 -15.1253 -15.1235 -14.8135 -14.8097 -14.0771 -14.0716 -13.7786 -13.7734 -13.5757 -13.5711 -6.1540 -6.1468 -4.0713 -4.0674 -3.0189 -3.0008 -2.7468 -2.7280 -1.3299 -1.3257 -1.0541 -1.0126 -0.5428 -0.4819 -0.3874 -0.3379 -0.0570 0.0041 0.6010 0.6195 0.9413 0.9432 1.3082 1.3227 1.8439 1.9030 2.2675 2.2869 2.9047 2.9434 3.0963 3.1329 3.1545 3.1569 3.5430 3.5489 3.8949 3.9509 7.9988 8.0823 9.7644 9.8635 10.7132 10.8128 12.1363 12.1453 12.3238 12.4222 k = 0.5406 0.3739 0.0125 ( 4095 PWs) bands (ev): -15.4763 -15.4750 -15.1196 -15.1177 -14.8125 -14.8085 -14.0792 -14.0740 -13.7755 -13.7708 -13.5777 -13.5727 -6.1320 -6.1246 -4.1076 -4.1047 -3.0264 -3.0091 -2.7357 -2.7175 -1.3264 -1.3216 -1.0728 -1.0315 -0.5279 -0.4623 -0.3686 -0.3284 -0.0375 0.0248 0.5806 0.5992 0.9496 0.9516 1.2919 1.3090 1.8401 1.8999 2.2865 2.3014 2.9072 2.9478 3.0955 3.1276 3.1572 3.1604 3.5288 3.5348 3.8922 3.9522 7.9976 8.0882 9.7632 9.8678 10.7020 10.8071 12.1390 12.1491 12.3134 12.4085 k = 0.5406 0.3739 0.0125 ( 4095 PWs) bands (ev): -15.4763 -15.4750 -15.1196 -15.1177 -14.8125 -14.8085 -14.0792 -14.0740 -13.7755 -13.7708 -13.5777 -13.5727 -6.1320 -6.1246 -4.1076 -4.1047 -3.0264 -3.0091 -2.7357 -2.7175 -1.3264 -1.3216 -1.0728 -1.0315 -0.5279 -0.4623 -0.3686 -0.3284 -0.0375 0.0248 0.5806 0.5992 0.9496 0.9516 1.2919 1.3090 1.8401 1.8999 2.2865 2.3014 2.9072 2.9478 3.0955 3.1276 3.1572 3.1604 3.5288 3.5348 3.8922 3.9522 7.9976 8.0882 9.7632 9.8678 10.7020 10.8071 12.1390 12.1491 12.3134 12.4085 k = 0.5375 0.3717 0.0254 ( 4105 PWs) bands (ev): -15.4753 -15.4739 -15.1142 -15.1116 -14.8167 -14.8122 -14.0789 -14.0740 -13.7758 -13.7715 -13.5821 -13.5772 -6.1144 -6.1072 -4.1355 -4.1329 -3.0386 -3.0224 -2.7173 -2.6998 -1.3180 -1.3126 -1.0857 -1.0489 -0.5142 -0.4493 -0.3608 -0.3103 -0.0322 0.0275 0.5704 0.5889 0.9377 0.9401 1.2760 1.2941 1.8411 1.8995 2.3162 2.3274 2.9172 2.9559 3.0945 3.1239 3.1567 3.1595 3.5121 3.5186 3.8989 3.9568 7.9998 8.0841 9.7688 9.8659 10.7029 10.7973 12.1358 12.1466 12.3090 12.3971 k = 0.5344 0.3695 0.0383 ( 4105 PWs) bands (ev): -15.4750 -15.4735 -15.1081 -15.1049 -14.8207 -14.8157 -14.0787 -14.0740 -13.7762 -13.7721 -13.5867 -13.5819 -6.0965 -6.0896 -4.1638 -4.1615 -3.0490 -3.0341 -2.6995 -2.6829 -1.3100 -1.3042 -1.0986 -1.0662 -0.5018 -0.4368 -0.3528 -0.2939 -0.0259 0.0307 0.5589 0.5772 0.9285 0.9313 1.2587 1.2778 1.8412 1.8969 2.3504 2.3590 2.9273 2.9636 3.0933 3.1201 3.1541 3.1565 3.4947 3.5014 3.9061 3.9614 8.0019 8.0797 9.7745 9.8639 10.7038 10.7880 12.1317 12.1435 12.3053 12.3858 k = 0.5312 0.3674 0.0511 ( 4109 PWs) bands (ev): -15.4753 -15.4738 -15.1015 -15.0977 -14.8245 -14.8191 -14.0784 -14.0740 -13.7765 -13.7728 -13.5912 -13.5866 -6.0785 -6.0719 -4.1919 -4.1898 -3.0579 -3.0442 -2.6826 -2.6670 -1.3026 -1.2964 -1.1113 -1.0830 -0.4906 -0.4253 -0.3444 -0.2796 -0.0184 0.0344 0.5465 0.5645 0.9220 0.9253 1.2403 1.2601 1.8408 1.8927 2.3881 2.3951 2.9371 2.9706 3.0921 3.1164 3.1486 3.1518 3.4768 3.4837 3.9137 3.9658 8.0039 8.0752 9.7801 9.8619 10.7047 10.7793 12.1271 12.1399 12.3021 12.3747 k = 0.5281 0.3652 0.0640 ( 4108 PWs) bands (ev): -15.4761 -15.4746 -15.0945 -15.0904 -14.8280 -14.8223 -14.0781 -14.0741 -13.7768 -13.7735 -13.5956 -13.5912 -6.0606 -6.0545 -4.2194 -4.2175 -3.0654 -3.0530 -2.6666 -2.6521 -1.2956 -1.2891 -1.1235 -1.0993 -0.4801 -0.4154 -0.3356 -0.2677 -0.0098 0.0385 0.5337 0.5510 0.9182 0.9220 1.2209 1.2411 1.8404 1.8877 2.4287 2.4346 2.9463 2.9765 3.0909 3.1126 3.1405 3.1454 3.4589 3.4657 3.9214 3.9699 8.0060 8.0706 9.7857 9.8597 10.7056 10.7711 12.1222 12.1359 12.2996 12.3641 k = 0.5250 0.3631 0.0768 ( 4115 PWs) bands (ev): -15.4771 -15.4757 -15.0875 -15.0832 -14.8311 -14.8254 -14.0778 -14.0741 -13.7771 -13.7741 -13.5998 -13.5957 -6.0434 -6.0377 -4.2457 -4.2440 -3.0716 -3.0605 -2.6517 -2.6384 -1.2891 -1.2823 -1.1352 -1.1148 -0.4703 -0.4075 -0.3264 -0.2582 -0.0003 0.0430 0.5208 0.5373 0.9171 0.9215 1.2009 1.2211 1.8400 1.8824 2.4714 2.4767 2.9539 2.9806 3.0899 3.1085 3.1307 3.1376 3.4415 3.4480 3.9291 3.9735 8.0081 8.0659 9.7912 9.8574 10.7066 10.7635 12.1174 12.1315 12.2976 12.3540 k = 0.5219 0.3609 0.0897 ( 4110 PWs) bands (ev): -15.4783 -15.4770 -15.0806 -15.0762 -14.8339 -14.8283 -14.0775 -14.0742 -13.7773 -13.7747 -13.6037 -13.5999 -6.0270 -6.0218 -4.2704 -4.2689 -3.0766 -3.0669 -2.6380 -2.6261 -1.2830 -1.2761 -1.1462 -1.1294 -0.4610 -0.4017 -0.3168 -0.2512 0.0097 0.0476 0.5083 0.5236 0.9184 0.9234 1.1805 1.2004 1.8399 1.8772 2.5156 2.5204 2.9587 2.9820 3.0886 3.1035 3.1212 3.1290 3.4249 3.4310 3.9367 3.9766 8.0103 8.0612 9.7966 9.8549 10.7078 10.7564 12.1128 12.1269 12.2961 12.3446 k = 0.5187 0.3587 0.1025 ( 4105 PWs) bands (ev): -15.4795 -15.4783 -15.0741 -15.0699 -14.8363 -14.8310 -14.0772 -14.0743 -13.7775 -13.7753 -13.6072 -13.6038 -6.0118 -6.0072 -4.2929 -4.2917 -3.0806 -3.0723 -2.6256 -2.6153 -1.2773 -1.2704 -1.1563 -1.1428 -0.4521 -0.3979 -0.3071 -0.2465 0.0198 0.0521 0.4965 0.5105 0.9220 0.9277 1.1601 1.1794 1.8402 1.8721 2.5606 2.5652 2.9590 2.9793 3.0863 3.0971 3.1145 3.1209 3.4097 3.4151 3.9441 3.9791 8.0126 8.0565 9.8019 9.8522 10.7092 10.7500 12.1087 12.1222 12.2952 12.3360 k = 0.5156 0.3566 0.1154 ( 4100 PWs) bands (ev): -15.4807 -15.4797 -15.0682 -15.0642 -14.8383 -14.8334 -14.0769 -14.0745 -13.7777 -13.7758 -13.6103 -13.6074 -5.9981 -5.9942 -4.3129 -4.3119 -3.0837 -3.0768 -2.6148 -2.6060 -1.2719 -1.2653 -1.1653 -1.1549 -0.4437 -0.3961 -0.2974 -0.2439 0.0297 0.0563 0.4860 0.4983 0.9277 0.9338 1.1402 1.1584 1.8409 1.8675 2.6060 2.6104 2.9529 2.9710 3.0820 3.0917 3.1111 3.1148 3.3961 3.4007 3.9511 3.9808 8.0151 8.0518 9.8072 9.8493 10.7108 10.7442 12.1053 12.1176 12.2948 12.3282 k = 0.5125 0.3544 0.1282 ( 4096 PWs) bands (ev): -15.4817 -15.4809 -15.0630 -15.0595 -14.8398 -14.8356 -14.0766 -14.0746 -13.7778 -13.7763 -13.6128 -13.6104 -5.9864 -5.9832 -4.3299 -4.3290 -3.0860 -3.0804 -2.6056 -2.5985 -1.2670 -1.2610 -1.1732 -1.1656 -0.4356 -0.3960 -0.2880 -0.2434 0.0389 0.0598 0.4771 0.4874 0.9349 0.9413 1.1216 1.1381 1.8420 1.8632 2.6511 2.6555 2.9396 2.9555 3.0777 3.0878 3.1094 3.1118 3.3844 3.3881 3.9576 3.9817 8.0177 8.0472 9.8123 9.8461 10.7125 10.7389 12.1027 12.1132 12.2950 12.3213 k = 0.5094 0.3522 0.1411 ( 4096 PWs) bands (ev): -15.4826 -15.4819 -15.0586 -15.0558 -14.8409 -14.8375 -14.0764 -14.0748 -13.7778 -13.7767 -13.6148 -13.6129 -5.9768 -5.9743 -4.3435 -4.3429 -3.0876 -3.0834 -2.5982 -2.5927 -1.2625 -1.2574 -1.1797 -1.1745 -0.4280 -0.3974 -0.2791 -0.2445 0.0471 0.0625 0.4701 0.4781 0.9431 0.9493 1.1051 1.1192 1.8434 1.8593 2.6954 2.6999 2.9192 2.9327 3.0756 3.0845 3.1088 3.1112 3.3750 3.3778 3.9634 3.9817 8.0206 8.0428 9.8173 9.8427 10.7146 10.7341 12.1009 12.1093 12.2958 12.3152 k = 0.5062 0.3501 0.1539 ( 4092 PWs) bands (ev): -15.4832 -15.4827 -15.0552 -15.0533 -14.8414 -14.8391 -14.0761 -14.0751 -13.7778 -13.7770 -13.6161 -13.6149 -5.9696 -5.9680 -4.3535 -4.3530 -3.0884 -3.0856 -2.5925 -2.5888 -1.2587 -1.2549 -1.1846 -1.1813 -0.4210 -0.4001 -0.2708 -0.2473 0.0538 0.0640 0.4653 0.4708 0.9513 0.9566 1.0921 1.1028 1.8452 1.8558 2.7380 2.7429 2.8931 2.9040 3.0755 3.0817 3.1093 3.1114 3.3681 3.3700 3.9686 3.9809 8.0237 8.0386 9.8220 9.8391 10.7169 10.7298 12.1001 12.1059 12.2972 12.3100 k = 0.5031 0.3479 0.1668 ( 4098 PWs) bands (ev): -15.4835 -15.4833 -15.0529 -15.0520 -14.8415 -14.8403 -14.0758 -14.0753 -13.7777 -13.7773 -13.6168 -13.6162 -5.9651 -5.9642 -4.3595 -4.3592 -3.0886 -3.0872 -2.5887 -2.5869 -1.2558 -1.2538 -1.1875 -1.1859 -0.4146 -0.4040 -0.2634 -0.2515 0.0589 0.0640 0.4630 0.4658 0.9582 0.9614 1.0845 1.0904 1.8473 1.8526 2.7775 2.7825 2.8639 2.8720 3.0763 3.0795 3.1102 3.1115 3.3641 3.3650 3.9730 3.9791 8.0271 8.0345 9.8266 9.8351 10.7196 10.7260 12.1002 12.1031 12.2993 12.3057 k = 0.5000 0.3458 0.1797 ( 4102 PWs) bands (ev): -15.4835 -15.4835 -15.0518 -15.0518 -14.8411 -14.8411 -14.0756 -14.0756 -13.7775 -13.7775 -13.6168 -13.6168 -5.9633 -5.9633 -4.3614 -4.3614 -3.0882 -3.0882 -2.5868 -2.5868 -1.2541 -1.2541 -1.1879 -1.1879 -0.4089 -0.4089 -0.2569 -0.2569 0.0623 0.0623 0.4631 0.4631 0.9620 0.9620 1.0838 1.0838 1.8498 1.8498 2.8039 2.8039 2.8469 2.8469 3.0778 3.0778 3.1111 3.1111 3.3630 3.3630 3.9765 3.9765 8.0307 8.0307 9.8310 9.8310 10.7226 10.7226 12.1012 12.1012 12.3021 12.3021 k = 0.5000 0.3458 0.1797 ( 4102 PWs) bands (ev): -15.4835 -15.4835 -15.0518 -15.0518 -14.8411 -14.8411 -14.0756 -14.0756 -13.7775 -13.7775 -13.6168 -13.6168 -5.9633 -5.9633 -4.3614 -4.3614 -3.0882 -3.0882 -2.5868 -2.5868 -1.2541 -1.2541 -1.1879 -1.1879 -0.4089 -0.4089 -0.2569 -0.2569 0.0623 0.0623 0.4631 0.4631 0.9620 0.9620 1.0838 1.0838 1.8498 1.8498 2.8039 2.8039 2.8469 2.8469 3.0778 3.0778 3.1111 3.1111 3.3630 3.3630 3.9765 3.9765 8.0307 8.0307 9.8310 9.8310 10.7226 10.7226 12.1012 12.1012 12.3021 12.3021 k = 0.5076 0.3348 0.1797 ( 4098 PWs) bands (ev): -15.4844 -15.4840 -15.0519 -15.0519 -14.8407 -14.8404 -14.0757 -14.0757 -13.7773 -13.7771 -13.6168 -13.6166 -5.9631 -5.9631 -4.3629 -4.3606 -3.0888 -3.0870 -2.5867 -2.5865 -1.2554 -1.2552 -1.1931 -1.1845 -0.4113 -0.4085 -0.2579 -0.2575 0.0602 0.0664 0.4629 0.4634 0.9610 0.9659 1.0856 1.0856 1.8509 1.8514 2.8025 2.8028 2.8472 2.8472 3.0703 3.0822 3.1070 3.1190 3.3626 3.3626 3.9754 3.9758 8.0196 8.0434 9.8274 9.8348 10.7216 10.7230 12.0994 12.1002 12.3010 12.3010 k = 0.5151 0.3239 0.1797 ( 4096 PWs) bands (ev): -15.4865 -15.4857 -15.0522 -15.0522 -14.8391 -14.8386 -14.0762 -14.0761 -13.7765 -13.7761 -13.6165 -13.6162 -5.9626 -5.9625 -4.3650 -4.3604 -3.0887 -3.0850 -2.5864 -2.5860 -1.2593 -1.2588 -1.1998 -1.1827 -0.4158 -0.4102 -0.2605 -0.2597 0.0602 0.0726 0.4628 0.4637 0.9627 0.9725 1.0908 1.0908 1.8548 1.8558 2.7985 2.7990 2.8482 2.8482 3.0622 3.0801 3.1102 3.1283 3.3614 3.3614 3.9725 3.9733 8.0102 8.0578 9.8242 9.8389 10.7200 10.7229 12.0948 12.0963 12.2975 12.2975 k = 0.5227 0.3129 0.1797 ( 4092 PWs) bands (ev): -15.4898 -15.4886 -15.0526 -15.0526 -14.8363 -14.8356 -14.0769 -14.0768 -13.7751 -13.7745 -13.6159 -13.6155 -5.9616 -5.9615 -4.3678 -4.3609 -3.0879 -3.0825 -2.5857 -2.5851 -1.2657 -1.2648 -1.2079 -1.1826 -0.4222 -0.4139 -0.2645 -0.2634 0.0623 0.0808 0.4628 0.4642 0.9672 0.9818 1.0993 1.0993 1.8613 1.8629 2.7920 2.7928 2.8498 2.8498 3.0543 3.0739 3.1183 3.1382 3.3593 3.3594 3.9679 3.9689 8.0024 8.0738 9.8212 9.8433 10.7178 10.7224 12.0874 12.0897 12.2918 12.2919 k = 0.5303 0.3020 0.1797 ( 4098 PWs) bands (ev): -15.4944 -15.4928 -15.0532 -15.0532 -14.8324 -14.8315 -14.0779 -14.0777 -13.7731 -13.7724 -13.6152 -13.6146 -5.9604 -5.9602 -4.3711 -4.3620 -3.0864 -3.0793 -2.5848 -2.5841 -1.2744 -1.2733 -1.2173 -1.1841 -0.4303 -0.4197 -0.2698 -0.2685 0.0664 0.0908 0.4630 0.4647 0.9743 0.9937 1.1109 1.1109 1.8706 1.8726 2.7831 2.7841 2.8520 2.8521 3.0469 3.0666 3.1279 3.1482 3.3565 3.3566 3.9615 3.9629 7.9961 8.0915 9.8185 9.8480 10.7149 10.7213 12.0772 12.0805 12.2840 12.2840 k = 0.5378 0.2911 0.1797 ( 4100 PWs) bands (ev): -15.5001 -15.4981 -15.0540 -15.0540 -14.8274 -14.8264 -14.0790 -14.0789 -13.7706 -13.7697 -13.6142 -13.6135 -5.9587 -5.9585 -4.3751 -4.3639 -3.0842 -3.0757 -2.5837 -2.5828 -1.2854 -1.2841 -1.2279 -1.1870 -0.4401 -0.4274 -0.2763 -0.2748 0.0724 0.1025 0.4632 0.4654 0.9839 1.0081 1.1252 1.1252 1.8824 1.8850 2.7721 2.7731 2.8549 2.8550 3.0401 3.0594 3.1381 3.1583 3.3529 3.3531 3.9533 3.9551 7.9914 8.1106 9.8162 9.8529 10.7114 10.7199 12.0644 12.0687 12.2742 12.2742 k = 0.5454 0.2801 0.1797 ( 4096 PWs) bands (ev): -15.5069 -15.5046 -15.0550 -15.0549 -14.8213 -14.8202 -14.0804 -14.0802 -13.7675 -13.7665 -13.6129 -13.6121 -5.9566 -5.9564 -4.3796 -4.3664 -3.0814 -3.0715 -2.5825 -2.5814 -1.2985 -1.2970 -1.2392 -1.1913 -0.4514 -0.4368 -0.2836 -0.2821 0.0802 0.1158 0.4636 0.4661 0.9959 1.0248 1.1419 1.1419 1.8969 1.8999 2.7590 2.7602 2.8584 2.8586 3.0338 3.0524 3.1485 3.1683 3.3485 3.3487 3.9436 3.9457 7.9881 8.1311 9.8143 9.8582 10.7073 10.7182 12.0491 12.0546 12.2625 12.2625 k = 0.5530 0.2692 0.1797 ( 4098 PWs) bands (ev): -15.5148 -15.5122 -15.0562 -15.0561 -14.8143 -14.8130 -14.0819 -14.0817 -13.7640 -13.7628 -13.6115 -13.6106 -5.9541 -5.9539 -4.3847 -4.3696 -3.0779 -3.0670 -2.5813 -2.5800 -1.3138 -1.3121 -1.2512 -1.1967 -0.4638 -0.4477 -0.2916 -0.2903 0.0897 0.1305 0.4641 0.4669 1.0101 1.0437 1.1607 1.1607 1.9138 1.9172 2.7441 2.7453 2.8626 2.8628 3.0281 3.0458 3.1587 3.1780 3.3434 3.3436 3.9323 3.9347 7.9861 8.1530 9.8127 9.8637 10.7025 10.7162 12.0315 12.0382 12.2491 12.2491 k = 0.5605 0.2582 0.1797 ( 4106 PWs) bands (ev): -15.5237 -15.5208 -15.0576 -15.0575 -14.8063 -14.8049 -14.0835 -14.0832 -13.7600 -13.7586 -13.6098 -13.6088 -5.9512 -5.9509 -4.3903 -4.3735 -3.0739 -3.0622 -2.5801 -2.5787 -1.3309 -1.3291 -1.2636 -1.2029 -0.4773 -0.4599 -0.3000 -0.2990 0.1007 0.1464 0.4647 0.4677 1.0263 1.0645 1.1811 1.1812 1.9330 1.9369 2.7276 2.7289 2.8673 2.8675 3.0227 3.0395 3.1687 3.1875 3.3374 3.3376 3.9195 3.9221 7.9852 8.1761 9.8117 9.8696 10.6970 10.7141 12.0118 12.0199 12.2342 12.2343 k = 0.5681 0.2473 0.1797 ( 4104 PWs) bands (ev): -15.5336 -15.5304 -15.0593 -15.0591 -14.7974 -14.7960 -14.0851 -14.0848 -13.7556 -13.7541 -13.6079 -13.6068 -5.9477 -5.9475 -4.3965 -4.3780 -3.0694 -3.0571 -2.5790 -2.5775 -1.3499 -1.3479 -1.2762 -1.2099 -0.4914 -0.4729 -0.3087 -0.3081 0.1131 0.1633 0.4653 0.4686 1.0442 1.0869 1.2030 1.2031 1.9544 1.9587 2.7098 2.7112 2.8726 2.8729 3.0178 3.0335 3.1785 3.1965 3.3308 3.3310 3.9053 3.9082 7.9855 8.2002 9.8111 9.8758 10.6908 10.7118 11.9903 11.9999 12.2180 12.2181 k = 0.5757 0.2363 0.1797 ( 4092 PWs) bands (ev): -15.5443 -15.5409 -15.0611 -15.0610 -14.7876 -14.7862 -14.0866 -14.0864 -13.7509 -13.7492 -13.6058 -13.6046 -5.9438 -5.9435 -4.4031 -4.3831 -3.0644 -3.0519 -2.5782 -2.5766 -1.3704 -1.3683 -1.2886 -1.2173 -0.5059 -0.4866 -0.3174 -0.3174 0.1266 0.1810 0.4659 0.4693 1.0637 1.1108 1.2259 1.2261 1.9778 1.9824 2.6908 2.6923 2.8786 2.8789 3.0132 3.0278 3.1878 3.2052 3.3233 3.3236 3.8898 3.8929 7.9867 8.2252 9.8111 9.8824 10.6841 10.7096 11.9671 11.9782 12.2007 12.2009 k = 0.5832 0.2254 0.1797 ( 4090 PWs) bands (ev): -15.5558 -15.5523 -15.0633 -15.0631 -14.7770 -14.7756 -14.0881 -14.0879 -13.7458 -13.7440 -13.6035 -13.6022 -5.9394 -5.9390 -4.4102 -4.3890 -3.0591 -3.0466 -2.5778 -2.5761 -1.3924 -1.3902 -1.3008 -1.2249 -0.5206 -0.5006 -0.3266 -0.3260 0.1411 0.1994 0.4664 0.4699 1.0844 1.1359 1.2496 1.2499 2.0029 2.0078 2.6709 2.6725 2.8850 2.8854 3.0088 3.0223 3.1968 3.2135 3.3152 3.3154 3.8731 3.8765 7.9887 8.2509 9.8116 9.8892 10.6767 10.7075 11.9426 11.9554 12.1824 12.1827 k = 0.5908 0.2145 0.1797 ( 4094 PWs) bands (ev): -15.5681 -15.5645 -15.0657 -15.0655 -14.7657 -14.7644 -14.0895 -14.0893 -13.7405 -13.7386 -13.6011 -13.5997 -5.9345 -5.9341 -4.4178 -4.3954 -3.0534 -3.0413 -2.5779 -2.5760 -1.4158 -1.4135 -1.3124 -1.2325 -0.5350 -0.5145 -0.3357 -0.3343 0.1563 0.2181 0.4667 0.4704 1.1062 1.1620 1.2740 1.2744 2.0294 2.0347 2.6503 2.6521 2.8920 2.8925 3.0046 3.0170 3.2052 3.2212 3.3064 3.3066 3.8553 3.8589 7.9913 8.2771 9.8128 9.8963 10.6687 10.7056 11.9172 11.9314 12.1634 12.1638 k = 0.5984 0.2035 0.1797 ( 4092 PWs) bands (ev): -15.5811 -15.5773 -15.0683 -15.0681 -14.7537 -14.7524 -14.0908 -14.0905 -13.7349 -13.7329 -13.5984 -13.5970 -5.9289 -5.9285 -4.4258 -4.4025 -3.0475 -3.0361 -2.5785 -2.5766 -1.4403 -1.4379 -1.3233 -1.2399 -0.5491 -0.5281 -0.3444 -0.3422 0.1720 0.2371 0.4669 0.4706 1.1288 1.1887 1.2988 1.2993 2.0571 2.0627 2.6292 2.6313 2.8995 2.9001 3.0006 3.0118 3.2132 3.2284 3.2969 3.2972 3.8366 3.8403 7.9945 8.3036 9.8145 9.9036 10.6601 10.7040 11.8910 11.9067 12.1439 12.1443 k = 0.6059 0.1926 0.1797 ( 4092 PWs) bands (ev): -15.5948 -15.5909 -15.0713 -15.0711 -14.7410 -14.7399 -14.0918 -14.0915 -13.7290 -13.7270 -13.5956 -13.5941 -5.9228 -5.9224 -4.4342 -4.4101 -3.0415 -3.0311 -2.5799 -2.5780 -1.4658 -1.4635 -1.3332 -1.2468 -0.5624 -0.5410 -0.3527 -0.3495 0.1881 0.2562 0.4669 0.4706 1.1519 1.2159 1.3239 1.3246 2.0857 2.0914 2.6079 2.6102 2.9076 2.9082 2.9967 3.0068 3.2205 3.2350 3.2869 3.2872 3.8171 3.8209 7.9979 8.3302 9.8168 9.9110 10.6511 10.7029 11.8645 11.8815 12.1241 12.1245 k = 0.6135 0.1816 0.1797 ( 4082 PWs) bands (ev): -15.6090 -15.6050 -15.0746 -15.0744 -14.7277 -14.7267 -14.0925 -14.0923 -13.7231 -13.7209 -13.5926 -13.5911 -5.9161 -5.9156 -4.4431 -4.4183 -3.0353 -3.0263 -2.5820 -2.5801 -1.4922 -1.4899 -1.3421 -1.2532 -0.5749 -0.5531 -0.3603 -0.3562 0.2044 0.2752 0.4666 0.4703 1.1753 1.2433 1.3493 1.3501 2.1146 2.1206 2.5865 2.5891 2.9161 2.9168 2.9929 3.0019 3.2272 3.2408 3.2765 3.2769 3.7968 3.8008 8.0016 8.3566 9.8196 9.9184 10.6417 10.7024 11.8379 11.8560 12.1040 12.1045 k = 0.6211 0.1707 0.1797 ( 4078 PWs) bands (ev): -15.6238 -15.6197 -15.0782 -15.0780 -14.7138 -14.7130 -14.0930 -14.0928 -13.7169 -13.7147 -13.5895 -13.5880 -5.9087 -5.9082 -4.4523 -4.4270 -3.0291 -3.0218 -2.5851 -2.5831 -1.5193 -1.5171 -1.3499 -1.2589 -0.5862 -0.5640 -0.3671 -0.3622 0.2206 0.2939 0.4661 0.4698 1.1986 1.2707 1.3747 1.3757 2.1437 2.1499 2.5653 2.5681 2.9250 2.9259 2.9892 2.9971 3.2329 3.2452 3.2659 3.2669 3.7760 3.7801 8.0053 8.3826 9.8228 9.9258 10.6320 10.7026 11.8116 11.8305 12.0840 12.0845 k = 0.6286 0.1597 0.1797 ( 4084 PWs) bands (ev): -15.6391 -15.6349 -15.0822 -15.0819 -14.6995 -14.6988 -14.0931 -14.0929 -13.7107 -13.7083 -13.5863 -13.5848 -5.9007 -5.9002 -4.4619 -4.4363 -3.0230 -3.0177 -2.5891 -2.5871 -1.5471 -1.5450 -1.3563 -1.2637 -0.5964 -0.5738 -0.3732 -0.3672 0.2366 0.3123 0.4654 0.4691 1.2217 1.2978 1.4001 1.4014 2.1725 2.1789 2.5445 2.5476 2.9344 2.9354 2.9856 2.9924 3.2364 3.2450 3.2565 3.2604 3.7548 3.7590 8.0089 8.4080 9.8264 9.9329 10.6222 10.7037 11.7857 11.8052 12.0641 12.0646 k = 0.6362 0.1488 0.1797 ( 4082 PWs) bands (ev): -15.6548 -15.6506 -15.0864 -15.0861 -14.6846 -14.6841 -14.0928 -14.0927 -13.7043 -13.7020 -13.5830 -13.5815 -5.8920 -5.8914 -4.4718 -4.4460 -3.0170 -3.0141 -2.5941 -2.5921 -1.5754 -1.5734 -1.3614 -1.2675 -0.6051 -0.5822 -0.3782 -0.3713 0.2523 0.3302 0.4645 0.4683 1.2444 1.3244 1.4255 1.4271 2.2006 2.2071 2.5243 2.5275 2.9441 2.9454 2.9821 2.9879 3.2336 3.2367 3.2525 3.2611 3.7333 3.7376 8.0122 8.4326 9.8302 9.9397 10.6125 10.7057 11.7607 11.7803 12.0446 12.0451 k = 0.6438 0.1379 0.1797 ( 4082 PWs) bands (ev): -15.6709 -15.6667 -15.0911 -15.0908 -14.6692 -14.6690 -14.0922 -14.0920 -13.6979 -13.6955 -13.5796 -13.5781 -5.8826 -5.8820 -4.4820 -4.4562 -3.0111 -3.0109 -2.6001 -2.5982 -1.6042 -1.6022 -1.3651 -1.2703 -0.6125 -0.5892 -0.3822 -0.3743 0.2675 0.3476 0.4636 0.4674 1.2663 1.3502 1.4508 1.4526 2.2276 2.2343 2.5048 2.5082 2.9541 2.9556 2.9788 2.9835 3.2239 3.2251 3.2545 3.2643 3.7117 3.7160 8.0151 8.4560 9.8340 9.9460 10.6031 10.7088 11.7367 11.7561 12.0256 12.0260 k = 0.6513 0.1269 0.1797 ( 4078 PWs) bands (ev): -15.6873 -15.6831 -15.0961 -15.0957 -14.6535 -14.6534 -14.0911 -14.0910 -13.6915 -13.6890 -13.5761 -13.5746 -5.8725 -5.8719 -4.4925 -4.4669 -3.0081 -3.0055 -2.6072 -2.6053 -1.6332 -1.6314 -1.3673 -1.2721 -0.6184 -0.5948 -0.3850 -0.3761 0.2820 0.3642 0.4628 0.4665 1.2874 1.3752 1.4758 1.4780 2.2532 2.2600 2.4864 2.4899 2.9641 2.9658 2.9759 2.9796 3.2121 3.2125 3.2579 3.2676 3.6901 3.6945 8.0175 8.4781 9.8376 9.9517 10.5943 10.7131 11.7140 11.7328 12.0071 12.0075 k = 0.6589 0.1160 0.1797 ( 4076 PWs) bands (ev): -15.7040 -15.6999 -15.1014 -15.1011 -14.6376 -14.6372 -14.0896 -14.0895 -13.6850 -13.6825 -13.5725 -13.5711 -5.8616 -5.8610 -4.5033 -4.4779 -3.0059 -3.0001 -2.6153 -2.6135 -1.6625 -1.6608 -1.3682 -1.2728 -0.6229 -0.5989 -0.3867 -0.3767 0.2957 0.3799 0.4621 0.4658 1.3073 1.3990 1.5004 1.5030 2.2769 2.2838 2.4692 2.4727 2.9706 2.9710 2.9790 2.9793 3.1997 3.1997 3.2613 3.2706 3.6687 3.6731 8.0193 8.4987 9.8407 9.9565 10.5863 10.7186 11.6927 11.7104 11.9895 11.9898 k = 0.3411-0.4932 0.3468 ( 4076 PWs) bands (ev): -15.7040 -15.6999 -15.1014 -15.1011 -14.6376 -14.6372 -14.0896 -14.0895 -13.6850 -13.6825 -13.5725 -13.5711 -5.8616 -5.8610 -4.5033 -4.4779 -3.0059 -3.0001 -2.6153 -2.6135 -1.6625 -1.6608 -1.3682 -1.2728 -0.6229 -0.5989 -0.3867 -0.3767 0.2957 0.3799 0.4621 0.4658 1.3073 1.3990 1.5004 1.5030 2.2769 2.2838 2.4692 2.4727 2.9706 2.9710 2.9790 2.9793 3.1997 3.1997 3.2613 3.2706 3.6687 3.6731 8.0193 8.4987 9.8407 9.9565 10.5863 10.7186 11.6927 11.7104 11.9895 11.9898 k = 0.3333-0.4820 0.3468 ( 4072 PWs) bands (ev): -15.7214 -15.7173 -15.1073 -15.1069 -14.6209 -14.6203 -14.0876 -14.0875 -13.6784 -13.6759 -13.5688 -13.5675 -5.8498 -5.8491 -4.5147 -4.4896 -3.0041 -2.9949 -2.6246 -2.6230 -1.6927 -1.6911 -1.3676 -1.2724 -0.6261 -0.6018 -0.3870 -0.3759 0.3088 0.3950 0.4617 0.4655 1.3265 1.4221 1.5253 1.5283 2.2988 2.3058 2.4531 2.4566 2.9681 2.9690 2.9881 2.9897 3.1866 3.1869 3.2645 3.2733 3.6470 3.6514 8.0203 8.5179 9.8430 9.9605 10.5794 10.7255 11.6725 11.6888 11.9723 11.9725 k = 0.3256-0.4708 0.3468 ( 4076 PWs) bands (ev): -15.7391 -15.7350 -15.1135 -15.1131 -14.6039 -14.6030 -14.0851 -14.0850 -13.6719 -13.6693 -13.5651 -13.5638 -5.8371 -5.8365 -4.5262 -4.5016 -3.0028 -2.9899 -2.6350 -2.6334 -1.7229 -1.7215 -1.3656 -1.2709 -0.6279 -0.6034 -0.3860 -0.3737 0.3208 0.4089 0.4619 0.4656 1.3441 1.4437 1.5495 1.5530 2.3179 2.3249 2.4388 2.4422 2.9652 2.9652 2.9987 3.0010 3.1738 3.1745 3.2671 3.2754 3.6257 3.6302 8.0205 8.5350 9.8442 9.9634 10.5739 10.7336 11.6542 11.6686 11.9562 11.9563 k = 0.3178-0.4596 0.3468 ( 4068 PWs) bands (ev): -15.7569 -15.7529 -15.1200 -15.1196 -14.5866 -14.5854 -14.0821 -14.0820 -13.6654 -13.6628 -13.5613 -13.5602 -5.8237 -5.8230 -4.5380 -4.5139 -3.0020 -2.9854 -2.6464 -2.6449 -1.7532 -1.7519 -1.3622 -1.2683 -0.6286 -0.6038 -0.3835 -0.3700 0.3316 0.4214 0.4631 0.4664 1.3601 1.4636 1.5731 1.5771 2.3337 2.3406 2.4268 2.4301 2.9614 2.9623 3.0090 3.0120 3.1618 3.1630 3.2693 3.2771 3.6050 3.6095 8.0197 8.5498 9.8439 9.9651 10.5703 10.7428 11.6378 11.6499 11.9413 11.9413 k = 0.3101-0.4484 0.3468 ( 4074 PWs) bands (ev): -15.7749 -15.7709 -15.1270 -15.1265 -14.5690 -14.5674 -14.0785 -14.0785 -13.6589 -13.6563 -13.5576 -13.5566 -5.8095 -5.8088 -4.5500 -4.5265 -3.0016 -2.9811 -2.6586 -2.6572 -1.7833 -1.7822 -1.3576 -1.2647 -0.6281 -0.6032 -0.3795 -0.3647 0.3411 0.4322 0.4655 0.4681 1.3744 1.4819 1.5958 1.6004 2.3454 2.3522 2.4175 2.4207 2.9577 2.9595 3.0183 3.0220 3.1511 3.1530 3.2709 3.2783 3.5849 3.5896 8.0179 8.5622 9.8421 9.9655 10.5686 10.7529 11.6235 11.6331 11.9276 11.9277 k = 0.3023-0.4372 0.3468 ( 4078 PWs) bands (ev): -15.7930 -15.7891 -15.1343 -15.1338 -14.5511 -14.5492 -14.0745 -14.0745 -13.6525 -13.6499 -13.5539 -13.5530 -5.7945 -5.7938 -4.5621 -4.5394 -3.0017 -2.9773 -2.6716 -2.6703 -1.8134 -1.8124 -1.3519 -1.2601 -0.6268 -0.6018 -0.3741 -0.3579 0.3494 0.4411 0.4695 0.4707 1.3870 1.4983 1.6174 1.6226 2.3526 2.3589 2.4116 2.4148 2.9542 2.9569 3.0257 3.0302 3.1428 3.1455 3.2719 3.2789 3.5657 3.5704 8.0149 8.5719 9.8385 9.9647 10.5690 10.7636 11.6113 11.6182 11.9152 11.9155 k = 0.2946-0.4260 0.3468 ( 4082 PWs) bands (ev): -15.8111 -15.8073 -15.1419 -15.1414 -14.5330 -14.5308 -14.0700 -14.0700 -13.6463 -13.6437 -13.5502 -13.5495 -5.7788 -5.7780 -4.5743 -4.5524 -3.0021 -2.9737 -2.6853 -2.6842 -1.8432 -1.8424 -1.3452 -1.2548 -0.6248 -0.5998 -0.3672 -0.3495 0.3563 0.4482 0.4745 0.4751 1.3978 1.5131 1.6378 1.6437 2.3552 2.3607 2.4090 2.4125 2.9509 2.9545 3.0299 3.0352 3.1380 3.1415 3.2724 3.2791 3.5474 3.5522 8.0108 8.5788 9.8330 9.9626 10.5715 10.7746 11.6012 11.6053 11.9044 11.9047 k = 0.2868-0.4148 0.3468 ( 4078 PWs) bands (ev): -15.8293 -15.8256 -15.1498 -15.1493 -14.5147 -14.5122 -14.0650 -14.0650 -13.6401 -13.6375 -13.5466 -13.5460 -5.7623 -5.7615 -4.5867 -4.5655 -3.0029 -2.9705 -2.6996 -2.6986 -1.8728 -1.8721 -1.3375 -1.2486 -0.6223 -0.5974 -0.3588 -0.3396 0.3621 0.4542 0.4795 0.4818 1.4068 1.5260 1.6566 1.6633 2.3545 2.3589 2.4086 2.4124 2.9478 2.9523 3.0300 3.0359 3.1380 3.1419 3.2724 3.2788 3.5301 3.5350 8.0055 8.5828 9.8258 9.9594 10.5757 10.7854 11.5934 11.5946 11.8950 11.8955 k = 0.2791-0.4036 0.3468 ( 4076 PWs) bands (ev): -15.8475 -15.8438 -15.1580 -15.1574 -14.4962 -14.4934 -14.0596 -14.0596 -13.6341 -13.6315 -13.5431 -13.5427 -5.7450 -5.7443 -4.5991 -4.5788 -3.0039 -2.9677 -2.7144 -2.7135 -1.9021 -1.9015 -1.3290 -1.2418 -0.6195 -0.5948 -0.3489 -0.3281 0.3667 0.4597 0.4857 0.4890 1.4141 1.5374 1.6737 1.6813 2.3520 2.3556 2.4089 2.4127 2.9450 2.9504 3.0261 3.0320 3.1426 3.1467 3.2719 3.2780 3.5139 3.5190 7.9990 8.5838 9.8171 9.9551 10.5815 10.7957 11.5862 11.5877 11.8872 11.8879 k = 0.2713-0.3924 0.3468 ( 4076 PWs) bands (ev): -15.8656 -15.8620 -15.1664 -15.1659 -14.4776 -14.4744 -14.0537 -14.0537 -13.6282 -13.6257 -13.5397 -13.5394 -5.7271 -5.7263 -4.6115 -4.5921 -3.0051 -2.9651 -2.7295 -2.7288 -1.9310 -1.9305 -1.3199 -1.2345 -0.6166 -0.5921 -0.3377 -0.3151 0.3703 0.4652 0.4932 0.4963 1.4198 1.5472 1.6887 1.6974 2.3492 2.3520 2.4087 2.4125 2.9423 2.9486 3.0187 3.0245 3.1510 3.1549 3.2709 3.2768 3.4989 3.5041 7.9913 8.5817 9.8071 9.9499 10.5885 10.8050 11.5800 11.5841 11.8811 11.8819 k = 0.2636-0.3811 0.3468 ( 4076 PWs) bands (ev): -15.8837 -15.8802 -15.1751 -15.1746 -14.4588 -14.4553 -14.0473 -14.0473 -13.6225 -13.6200 -13.5364 -13.5363 -5.7085 -5.7077 -4.6239 -4.6054 -3.0064 -2.9627 -2.7449 -2.7444 -1.9595 -1.9590 -1.3102 -1.2266 -0.6137 -0.5895 -0.3252 -0.3007 0.3730 0.4708 0.5019 0.5039 1.4239 1.5555 1.7012 1.7113 2.3465 2.3487 2.4078 2.4113 2.9399 2.9470 3.0091 3.0145 3.1618 3.1655 3.2694 3.2752 3.4852 3.4905 7.9824 8.5765 9.7960 9.9437 10.5961 10.8129 11.5762 11.5826 11.8765 11.8775 k = 0.2558-0.3699 0.3468 ( 4072 PWs) bands (ev): -15.9016 -15.8982 -15.1840 -15.1834 -14.4399 -14.4361 -14.0406 -14.0406 -13.6170 -13.6145 -13.5333 -13.5332 -5.6893 -5.6885 -4.6363 -4.6187 -3.0079 -2.9607 -2.7605 -2.7601 -1.9875 -1.9872 -1.3000 -1.2183 -0.6110 -0.5872 -0.3116 -0.2851 0.3749 0.4761 0.5120 0.5122 1.4265 1.5625 1.7110 1.7226 2.3444 2.3459 2.4062 2.4092 2.9377 2.9456 2.9979 3.0028 3.1739 3.1774 3.2674 3.2733 3.4728 3.4783 7.9724 8.5681 9.7842 9.9368 10.6041 10.8190 11.5747 11.5829 11.8737 11.8748 k = 0.2481-0.3587 0.3468 ( 4076 PWs) bands (ev): -15.9194 -15.9161 -15.1931 -15.1925 -14.4210 -14.4169 -14.0335 -14.0335 -13.6116 -13.6091 -13.5305 -13.5302 -5.6694 -5.6687 -4.6486 -4.6320 -3.0094 -2.9588 -2.7762 -2.7760 -2.0150 -2.0147 -1.2895 -1.2098 -0.6086 -0.5852 -0.2969 -0.2682 0.3762 0.4808 0.5215 0.5235 1.4278 1.5682 1.7177 1.7312 2.3428 2.3438 2.4041 2.4066 2.9357 2.9445 2.9859 2.9902 3.1865 3.1899 3.2651 3.2710 3.4617 3.4674 7.9611 8.5566 9.7721 9.9293 10.6119 10.8231 11.5751 11.5849 11.8724 11.8737 k = 0.2403-0.3475 0.3468 ( 4074 PWs) bands (ev): -15.9370 -15.9338 -15.2023 -15.2018 -14.4020 -14.3976 -14.0260 -14.0260 -13.6064 -13.6040 -13.5278 -13.5273 -5.6490 -5.6482 -4.6608 -4.6452 -3.0109 -2.9572 -2.7920 -2.7919 -2.0420 -2.0418 -1.2786 -1.2009 -0.6065 -0.5836 -0.2813 -0.2503 0.3769 0.4845 0.5325 0.5362 1.4278 1.5729 1.7210 1.7366 2.3418 2.3424 2.4019 2.4038 2.9335 2.9435 2.9734 2.9768 3.1990 3.2025 3.2624 3.2686 3.4521 3.4579 7.9488 8.5421 9.7599 9.9212 10.6191 10.8250 11.5774 11.5884 11.8728 11.8743 k = 0.2326-0.3363 0.3468 ( 4080 PWs) bands (ev): -15.9544 -15.9513 -15.2117 -15.2111 -14.3830 -14.3783 -14.0182 -14.0182 -13.6014 -13.5990 -13.5253 -13.5246 -5.6281 -5.6274 -4.6728 -4.6582 -3.0123 -2.9557 -2.8077 -2.8076 -2.0685 -2.0682 -1.2675 -1.1919 -0.6048 -0.5823 -0.2650 -0.2316 0.3772 0.4870 0.5452 0.5503 1.4267 1.5765 1.7206 1.7386 2.3413 2.3415 2.4001 2.4012 2.9309 2.9426 2.9611 2.9631 3.2109 3.2146 3.2594 3.2661 3.4439 3.4498 7.9355 8.5245 9.7478 9.9126 10.6255 10.8246 11.5810 11.5929 11.8746 11.8763 k = 0.2248-0.3251 0.3468 ( 4080 PWs) bands (ev): -15.9715 -15.9685 -15.2211 -15.2205 -14.3641 -14.3591 -14.0101 -14.0101 -13.5966 -13.5942 -13.5231 -13.5221 -5.6068 -5.6060 -4.6848 -4.6710 -3.0137 -2.9544 -2.8235 -2.8232 -2.0943 -2.0941 -1.2563 -1.1826 -0.6034 -0.5814 -0.2483 -0.2123 0.3773 0.4884 0.5596 0.5656 1.4244 1.5790 1.7165 1.7372 2.3411 2.3412 2.3991 2.3994 2.9267 2.9410 2.9498 2.9504 3.2218 3.2259 3.2565 3.2639 3.4373 3.4433 7.9212 8.5042 9.7360 9.9037 10.6307 10.8219 11.5856 11.5981 11.8780 11.8799 k = 0.2171-0.3139 0.3468 ( 4078 PWs) bands (ev): -15.9884 -15.9855 -15.2306 -15.2300 -14.3451 -14.3399 -14.0017 -14.0017 -13.5920 -13.5897 -13.5210 -13.5198 -5.5850 -5.5842 -4.6965 -4.6837 -3.0149 -2.9532 -2.8390 -2.8385 -2.1194 -2.1192 -1.2450 -1.1733 -0.6023 -0.5807 -0.2314 -0.1926 0.3774 0.4890 0.5755 0.5821 1.4209 1.5805 1.7086 1.7322 2.3411 2.3413 2.3987 2.3992 2.9189 2.9322 2.9431 2.9436 3.2306 3.2353 3.2543 3.2627 3.4321 3.4382 7.9060 8.4811 9.7248 9.8945 10.6347 10.8172 11.5906 11.6036 11.8827 11.8848 k = 0.2093-0.3027 0.3468 ( 4084 PWs) bands (ev): -16.0050 -16.0022 -15.2402 -15.2396 -14.3263 -14.3208 -13.9932 -13.9932 -13.5876 -13.5854 -13.5191 -13.5177 -5.5629 -5.5621 -4.7080 -4.6961 -3.0160 -2.9521 -2.8543 -2.8537 -2.1439 -2.1437 -1.2336 -1.1639 -0.6014 -0.5803 -0.2146 -0.1728 0.3776 0.4889 0.5928 0.5996 1.4163 1.5806 1.6971 1.7239 2.3413 2.3416 2.3994 2.4008 2.9074 2.9179 2.9396 2.9428 3.2361 3.2400 3.2557 3.2636 3.4285 3.4346 7.8901 8.4556 9.7141 9.8850 10.6373 10.8104 11.5957 11.6089 11.8887 11.8909 k = 0.2016-0.2915 0.3468 ( 4080 PWs) bands (ev): -16.0212 -16.0185 -15.2497 -15.2491 -14.3076 -14.3018 -13.9844 -13.9844 -13.5835 -13.5813 -13.5175 -13.5159 -5.5405 -5.5397 -4.7192 -4.7082 -3.0169 -2.9512 -2.8694 -2.8685 -2.1677 -2.1675 -1.2221 -1.1544 -0.6005 -0.5798 -0.1982 -0.1532 0.3782 0.4884 0.6110 0.6179 1.4104 1.5791 1.6829 1.7125 2.3417 2.3417 2.4018 2.4041 2.8939 2.9029 2.9381 2.9427 3.2375 3.2386 3.2617 3.2675 3.4264 3.4324 7.8735 8.4279 9.7042 9.8753 10.6386 10.8020 11.6004 11.6137 11.8958 11.8983 k = 0.1938-0.2803 0.3468 ( 4078 PWs) bands (ev): -16.0371 -16.0345 -15.2591 -15.2585 -14.2890 -14.2830 -13.9755 -13.9755 -13.5795 -13.5774 -13.5160 -13.5143 -5.5179 -5.5172 -4.7302 -4.7201 -3.0177 -2.9504 -2.8841 -2.8830 -2.1908 -2.1905 -1.2106 -1.1449 -0.5997 -0.5793 -0.1824 -0.1340 0.3795 0.4879 0.6300 0.6367 1.4031 1.5750 1.6668 1.6984 2.3417 2.3419 2.4058 2.4091 2.8795 2.8876 2.9376 2.9428 3.2349 3.2358 3.2688 3.2731 3.4259 3.4317 7.8563 8.3981 9.6949 9.8654 10.6385 10.7921 11.6042 11.6176 11.9040 11.9066 k = 0.1861-0.2690 0.3468 ( 4076 PWs) bands (ev): -16.0525 -16.0500 -15.2685 -15.2679 -14.2706 -14.2644 -13.9665 -13.9665 -13.5758 -13.5738 -13.5149 -13.5129 -5.4952 -5.4944 -4.7409 -4.7316 -3.0182 -2.9497 -2.8986 -2.8972 -2.2131 -2.2128 -1.1992 -1.1353 -0.5986 -0.5786 -0.1677 -0.1156 0.3816 0.4875 0.6495 0.6559 1.3941 1.5670 1.6508 1.6824 2.3414 2.3420 2.4115 2.4156 2.8648 2.8723 2.9376 2.9431 3.2304 3.2325 3.2752 3.2789 3.4267 3.4323 7.8387 8.3666 9.6862 9.8554 10.6373 10.7810 11.6069 11.6201 11.9131 11.9159 k = 0.1783-0.2578 0.3468 ( 4076 PWs) bands (ev): -16.0676 -16.0652 -15.2778 -15.2772 -14.2524 -14.2460 -13.9574 -13.9574 -13.5724 -13.5704 -13.5139 -13.5117 -5.4724 -5.4717 -4.7513 -4.7427 -3.0186 -2.9491 -2.9126 -2.9111 -2.2346 -2.2342 -1.1878 -1.1257 -0.5972 -0.5774 -0.1542 -0.0983 0.3849 0.4876 0.6690 0.6750 1.3834 1.5534 1.6371 1.6651 2.3410 2.3419 2.4186 2.4235 2.8499 2.8570 2.9381 2.9436 3.2255 3.2285 3.2808 3.2843 3.4289 3.4342 7.8207 8.3335 9.6782 9.8453 10.6349 10.7689 11.6082 11.6211 11.9229 11.9258 k = 0.1705-0.2466 0.3468 ( 4072 PWs) bands (ev): -16.0822 -16.0799 -15.2869 -15.2863 -14.2345 -14.2279 -13.9483 -13.9483 -13.5691 -13.5672 -13.5132 -13.5108 -5.4496 -5.4489 -4.7613 -4.7535 -3.0188 -2.9488 -2.9261 -2.9244 -2.2553 -2.2549 -1.1764 -1.1162 -0.5952 -0.5757 -0.1423 -0.0824 0.3895 0.4882 0.6882 0.6937 1.3706 1.5334 1.6269 1.6474 2.3404 2.3417 2.4270 2.4325 2.8352 2.8418 2.9388 2.9441 3.2204 3.2240 3.2854 3.2891 3.4323 3.4373 7.8026 8.2992 9.6709 9.8351 10.6315 10.7560 11.6079 11.6205 11.9333 11.9364 k = 0.1628-0.2354 0.3468 ( 4080 PWs) bands (ev): -16.0963 -16.0941 -15.2959 -15.2953 -14.2168 -14.2102 -13.9392 -13.9392 -13.5661 -13.5643 -13.5127 -13.5102 -5.4269 -5.4263 -4.7710 -4.7639 -3.0189 -2.9493 -2.9386 -2.9374 -2.2753 -2.2748 -1.1651 -1.1067 -0.5925 -0.5732 -0.1320 -0.0682 0.3955 0.4898 0.7066 0.7116 1.3557 1.5080 1.6199 1.6299 2.3396 2.3414 2.4362 2.4422 2.8206 2.8268 2.9398 2.9448 3.2151 3.2192 3.2892 3.2931 3.4366 3.4412 7.7845 8.2639 9.6641 9.8248 10.6274 10.7427 11.6060 11.6181 11.9442 11.9473 k = 0.1550-0.2242 0.3468 ( 4078 PWs) bands (ev): -16.1099 -16.1078 -15.3046 -15.3041 -14.1995 -14.1927 -13.9302 -13.9301 -13.5633 -13.5616 -13.5125 -13.5098 -5.4044 -5.4038 -4.7803 -4.7739 -3.0189 -2.9552 -2.9497 -2.9454 -2.2943 -2.2939 -1.1538 -1.0972 -0.5890 -0.5699 -0.1235 -0.0558 0.4030 0.4923 0.7239 0.7283 1.3387 1.4791 1.6135 1.6149 2.3388 2.3409 2.4460 2.4524 2.8065 2.8123 2.9410 2.9455 3.2098 3.2142 3.2922 3.2964 3.4418 3.4460 7.7664 8.2278 9.6579 9.8145 10.6226 10.7291 11.6025 11.6139 11.9554 11.9587 k = 0.1473-0.2130 0.3468 ( 4078 PWs) bands (ev): -16.1230 -16.1211 -15.3132 -15.3126 -14.1826 -14.1757 -13.9212 -13.9211 -13.5608 -13.5592 -13.5125 -13.5096 -5.3822 -5.3816 -4.7893 -4.7835 -3.0190 -2.9668 -2.9615 -2.9463 -2.3126 -2.3121 -1.1426 -1.0879 -0.5845 -0.5656 -0.1168 -0.0455 0.4119 0.4958 0.7394 0.7432 1.3200 1.4484 1.5986 1.6109 2.3379 2.3404 2.4561 2.4627 2.7928 2.7982 2.9424 2.9464 3.2043 3.2091 3.2946 3.2991 3.4475 3.4513 7.7486 8.1912 9.6522 9.8041 10.6172 10.7154 11.5974 11.6081 11.9669 11.9702 k = 0.1395-0.2018 0.3468 ( 4072 PWs) bands (ev): -16.1356 -16.1337 -15.3214 -15.3209 -14.1660 -14.1591 -13.9124 -13.9123 -13.5585 -13.5569 -13.5127 -13.5097 -5.3603 -5.3597 -4.7978 -4.7926 -3.0193 -2.9788 -2.9723 -2.9464 -2.3300 -2.3294 -1.1316 -1.0786 -0.5790 -0.5602 -0.1118 -0.0373 0.4221 0.5005 0.7524 0.7558 1.3001 1.4171 1.5855 1.6074 2.3371 2.3398 2.4661 2.4728 2.7799 2.7848 2.9440 2.9474 3.1989 3.2040 3.2965 3.3014 3.4536 3.4571 7.7313 8.1543 9.6470 9.7937 10.6115 10.7017 11.5910 11.6008 11.9786 11.9818 k = 0.1318-0.1906 0.3468 ( 4074 PWs) bands (ev): -16.1476 -16.1458 -15.3294 -15.3289 -14.1499 -14.1431 -13.9037 -13.9036 -13.5564 -13.5549 -13.5131 -13.5100 -5.3389 -5.3383 -4.8059 -4.8013 -3.0202 -2.9906 -2.9819 -2.9464 -2.3465 -2.3459 -1.1206 -1.0695 -0.5722 -0.5535 -0.1084 -0.0313 0.4335 0.5062 0.7624 0.7653 1.2798 1.3866 1.5744 1.6041 2.3363 2.3391 2.4757 2.4824 2.7678 2.7722 2.9457 2.9485 3.1934 3.1988 3.2981 3.3032 3.4600 3.4632 7.7144 8.1172 9.6423 9.7834 10.6056 10.6883 11.5833 11.5922 11.9902 11.9935 k = 0.1240-0.1794 0.3468 ( 4074 PWs) bands (ev): -16.1590 -16.1574 -15.3370 -15.3366 -14.1343 -14.1275 -13.8952 -13.8951 -13.5545 -13.5532 -13.5136 -13.5106 -5.3180 -5.3175 -4.8136 -4.8095 -3.0225 -3.0020 -2.9895 -2.9466 -2.3622 -2.3615 -1.1098 -1.0606 -0.5641 -0.5456 -0.1064 -0.0274 0.4456 0.5128 0.7684 0.7712 1.2604 1.3579 1.5652 1.6009 2.3355 2.3385 2.4847 2.4911 2.7568 2.7606 2.9476 2.9497 3.1880 3.1936 3.2994 3.3048 3.4666 3.4694 7.6983 8.0804 9.6380 9.7730 10.5995 10.6751 11.5746 11.5825 12.0019 12.0051 k = 0.1163-0.1682 0.3468 ( 4072 PWs) bands (ev): -16.1699 -16.1683 -15.3444 -15.3439 -14.1192 -14.1125 -13.8870 -13.8869 -13.5528 -13.5516 -13.5144 -13.5113 -5.2978 -5.2973 -4.8208 -4.8172 -3.0267 -3.0131 -2.9944 -2.9468 -2.3769 -2.3762 -1.0992 -1.0519 -0.5547 -0.5364 -0.1055 -0.0256 0.4584 0.5201 0.7697 0.7727 1.2429 1.3319 1.5577 1.5976 2.3348 2.3379 2.4928 2.4989 2.7470 2.7503 2.9497 2.9511 3.1827 3.1884 3.3005 3.3061 3.4732 3.4757 7.6829 8.0438 9.6342 9.7627 10.5934 10.6623 11.5651 11.5719 12.0134 12.0165 k = 0.1085-0.1569 0.3468 ( 4066 PWs) bands (ev): -16.1801 -16.1786 -15.3513 -15.3509 -14.1048 -14.0982 -13.8791 -13.8790 -13.5513 -13.5502 -13.5153 -13.5122 -5.2782 -5.2778 -4.8276 -4.8244 -3.0330 -3.0236 -2.9968 -2.9472 -2.3908 -2.3901 -1.0887 -1.0435 -0.5439 -0.5258 -0.1056 -0.0255 0.4714 0.5279 0.7658 0.7694 1.2284 1.3095 1.5518 1.5942 2.3342 2.3373 2.4997 2.5053 2.7387 2.7412 2.9518 2.9525 3.1775 3.1833 3.3015 3.3072 3.4798 3.4820 7.6686 8.0078 9.6308 9.7524 10.5875 10.6500 11.5549 11.5608 12.0248 12.0278 k = 0.1008-0.1457 0.3468 ( 4070 PWs) bands (ev): -16.1896 -16.1883 -15.3579 -15.3575 -14.0909 -14.0845 -13.8715 -13.8713 -13.5500 -13.5491 -13.5164 -13.5133 -5.2596 -5.2591 -4.8340 -4.8312 -3.0405 -3.0338 -2.9972 -2.9477 -2.4037 -2.4030 -1.0785 -1.0355 -0.5318 -0.5140 -0.1063 -0.0270 0.4844 0.5358 0.7564 0.7609 1.2176 1.2912 1.5473 1.5908 2.3336 2.3367 2.5052 2.5102 2.7319 2.7338 2.9540 2.9541 3.1724 3.1783 3.3024 3.3081 3.4863 3.4883 7.6555 7.9724 9.6278 9.7423 10.5817 10.6383 11.5444 11.5494 12.0359 12.0387 k = 0.0930-0.1345 0.3468 ( 4068 PWs) bands (ev): -16.1986 -16.1973 -15.3641 -15.3637 -14.0778 -14.0716 -13.8642 -13.8641 -13.5489 -13.5481 -13.5175 -13.5145 -5.2418 -5.2414 -4.8399 -4.8375 -3.0485 -3.0434 -2.9964 -2.9483 -2.4157 -2.4150 -1.0686 -1.0279 -0.5185 -0.5010 -0.1074 -0.0300 0.4970 0.5437 0.7417 0.7474 1.2108 1.2772 1.5440 1.5874 2.3331 2.3361 2.5092 2.5135 2.7268 2.7279 2.9557 2.9564 3.1675 3.1734 3.3032 3.3089 3.4925 3.4943 7.6436 7.9379 9.6254 9.7323 10.5762 10.6271 11.5338 11.5379 12.0466 12.0494 k = 0.0853-0.1233 0.3468 ( 4054 PWs) bands (ev): -16.2068 -16.2057 -15.3698 -15.3694 -14.0654 -14.0594 -13.8574 -13.8573 -13.5480 -13.5472 -13.5187 -13.5158 -5.2250 -5.2246 -4.8453 -4.8432 -3.0565 -3.0524 -2.9950 -2.9491 -2.4268 -2.4261 -1.0590 -1.0207 -0.5040 -0.4869 -0.1087 -0.0341 0.5090 0.5511 0.7225 0.7295 1.2078 1.2674 1.5418 1.5841 2.3327 2.3355 2.5117 2.5152 2.7233 2.7237 2.9574 2.9587 3.1629 3.1687 3.3039 3.3095 3.4986 3.5001 7.6332 7.9045 9.6234 9.7225 10.5710 10.6167 11.5232 11.5265 12.0570 12.0596 k = 0.0775-0.1121 0.3468 ( 4050 PWs) bands (ev): -16.2144 -16.2134 -15.3751 -15.3748 -14.0538 -14.0481 -13.8510 -13.8508 -13.5472 -13.5466 -13.5199 -13.5172 -5.2093 -5.2089 -4.8503 -4.8485 -3.0643 -3.0609 -2.9932 -2.9501 -2.4369 -2.4363 -1.0498 -1.0141 -0.4885 -0.4719 -0.1101 -0.0391 0.5200 0.5577 0.7000 0.7081 1.2081 1.2612 1.5405 1.5807 2.3323 2.3350 2.5126 2.5155 2.7210 2.7213 2.9592 2.9610 3.1585 3.1642 3.3046 3.3100 3.5043 3.5057 7.6243 7.8722 9.6218 9.7129 10.5662 10.6069 11.5129 11.5155 12.0669 12.0693 k = 0.0698-0.1009 0.3468 ( 4052 PWs) bands (ev): -16.2213 -16.2204 -15.3799 -15.3796 -14.0430 -14.0378 -13.8451 -13.8449 -13.5465 -13.5460 -13.5212 -13.5186 -5.1948 -5.1945 -4.8548 -4.8533 -3.0716 -3.0688 -2.9910 -2.9512 -2.4461 -2.4455 -1.0410 -1.0081 -0.4722 -0.4563 -0.1113 -0.0449 0.5296 0.5629 0.6756 0.6845 1.2110 1.2579 1.5399 1.5774 2.3320 2.3345 2.5123 2.5145 2.7198 2.7206 2.9610 2.9633 3.1543 3.1598 3.3053 3.3104 3.5097 3.5109 7.6171 7.8413 9.6208 9.7036 10.5619 10.5978 11.5030 11.5050 12.0762 12.0784 k = 0.0620-0.0897 0.3468 ( 4052 PWs) bands (ev): -16.2275 -16.2267 -15.3843 -15.3840 -14.0332 -14.0283 -13.8396 -13.8395 -13.5460 -13.5456 -13.5224 -13.5200 -5.1816 -5.1813 -4.8588 -4.8575 -3.0783 -3.0760 -2.9887 -2.9525 -2.4544 -2.4538 -1.0327 -1.0028 -0.4555 -0.4404 -0.1123 -0.0512 0.5371 0.5658 0.6516 0.6604 1.2157 1.2568 1.5400 1.5743 2.3318 2.3340 2.5109 2.5126 2.7196 2.7208 2.9629 2.9654 3.1506 3.1558 3.3059 3.3107 3.5147 3.5157 7.6117 7.8118 9.6204 9.6945 10.5581 10.5895 11.4938 11.4952 12.0849 12.0869 k = 0.0543-0.0785 0.3468 ( 4054 PWs) bands (ev): -16.2330 -16.2322 -15.3882 -15.3880 -14.0243 -14.0199 -13.8348 -13.8347 -13.5456 -13.5453 -13.5236 -13.5214 -5.1697 -5.1695 -4.8624 -4.8613 -3.0845 -3.0825 -2.9862 -2.9539 -2.4617 -2.4611 -1.0249 -0.9982 -0.4387 -0.4245 -0.1128 -0.0578 0.5414 0.5643 0.6309 0.6379 1.2215 1.2571 1.5406 1.5712 2.3316 2.3335 2.5089 2.5100 2.7203 2.7218 2.9647 2.9673 3.1472 3.1520 3.3065 3.3109 3.5192 3.5201 7.6082 7.7840 9.6205 9.6859 10.5549 10.5820 11.4852 11.4863 12.0929 12.0946 k = 0.0465-0.0673 0.3468 ( 4054 PWs) bands (ev): -16.2377 -16.2371 -15.3916 -15.3914 -14.0164 -14.0125 -13.8305 -13.8304 -13.5452 -13.5451 -13.5247 -13.5228 -5.1593 -5.1591 -4.8654 -4.8646 -3.0899 -3.0883 -2.9837 -2.9555 -2.4680 -2.4675 -1.0177 -0.9944 -0.4222 -0.4092 -0.1128 -0.0646 0.5408 0.5559 0.6174 0.6200 1.2279 1.2582 1.5417 1.5683 2.3314 2.3331 2.5063 2.5071 2.7216 2.7231 2.9664 2.9691 3.1442 3.1486 3.3071 3.3110 3.5232 3.5240 7.6067 7.7579 9.6212 9.6776 10.5523 10.5752 11.4776 11.4784 12.1000 12.1016 k = 0.0388-0.0561 0.3468 ( 4058 PWs) bands (ev): -16.2418 -16.2412 -15.3945 -15.3943 -14.0095 -14.0062 -13.8268 -13.8267 -13.5450 -13.5449 -13.5256 -13.5240 -5.1503 -5.1501 -4.8680 -4.8674 -3.0946 -3.0933 -2.9810 -2.9573 -2.4733 -2.4729 -1.0112 -0.9914 -0.4065 -0.3950 -0.1123 -0.0714 0.5336 0.5409 0.6093 0.6114 1.2344 1.2595 1.5431 1.5656 2.3313 2.3327 2.5037 2.5042 2.7231 2.7246 2.9680 2.9705 3.1417 3.1455 3.3076 3.3109 3.5267 3.5274 7.6072 7.7336 9.6225 9.6698 10.5503 10.5691 11.4710 11.4715 12.1063 12.1076 k = 0.0310-0.0448 0.3468 ( 4056 PWs) bands (ev): -16.2451 -16.2446 -15.3968 -15.3967 -14.0038 -14.0011 -13.8237 -13.8237 -13.5448 -13.5448 -13.5264 -13.5251 -5.1429 -5.1427 -4.8702 -4.8696 -3.0984 -3.0974 -2.9784 -2.9592 -2.4777 -2.4774 -1.0054 -0.9894 -0.3922 -0.3825 -0.1112 -0.0780 0.5214 0.5239 0.6052 0.6097 1.2406 1.2607 1.5448 1.5629 2.3312 2.3324 2.5012 2.5015 2.7248 2.7261 2.9695 2.9717 3.1397 3.1429 3.3082 3.3109 3.5297 3.5302 7.6099 7.7113 9.6245 9.6625 10.5489 10.5639 11.4654 11.4657 12.1116 12.1126 k = 0.0233-0.0336 0.3468 ( 4056 PWs) bands (ev): -16.2476 -16.2473 -15.3987 -15.3986 -13.9992 -13.9972 -13.8213 -13.8213 -13.5447 -13.5447 -13.5270 -13.5260 -5.1370 -5.1369 -4.8718 -4.8714 -3.1015 -3.1007 -2.9758 -2.9613 -2.4811 -2.4808 -1.0004 -0.9882 -0.3798 -0.3722 -0.1094 -0.0842 0.5081 0.5083 0.6049 0.6095 1.2463 1.2613 1.5467 1.5604 2.3312 2.3321 2.4990 2.4992 2.7263 2.7273 2.9708 2.9726 3.1382 3.1406 3.3087 3.3107 3.5320 3.5324 7.6148 7.6910 9.6270 9.6556 10.5482 10.5594 11.4610 11.4612 12.1158 12.1166 k = 0.0155-0.0224 0.3468 ( 4048 PWs) bands (ev): -16.2494 -16.2492 -15.4000 -15.3999 -13.9958 -13.9944 -13.8196 -13.8196 -13.5447 -13.5447 -13.5274 -13.5267 -5.1328 -5.1328 -4.8729 -4.8727 -3.1036 -3.1031 -2.9732 -2.9634 -2.4835 -2.4833 -0.9961 -0.9879 -0.3700 -0.3648 -0.1069 -0.0900 0.4962 0.4967 0.6060 0.6095 1.2512 1.2612 1.5488 1.5579 2.3313 2.3318 2.4974 2.4975 2.7275 2.7283 2.9719 2.9732 3.1372 3.1389 3.3091 3.3105 3.5337 3.5340 7.6219 7.6728 9.6302 9.6493 10.5483 10.5556 11.4578 11.4579 12.1189 12.1195 k = 0.0078-0.0112 0.3468 ( 4044 PWs) bands (ev): -16.2505 -16.2504 -15.4008 -15.4007 -13.9936 -13.9929 -13.8185 -13.8185 -13.5446 -13.5446 -13.5276 -13.5272 -5.1303 -5.1302 -4.8736 -4.8735 -3.1049 -3.1046 -2.9706 -2.9657 -2.4849 -2.4848 -0.9927 -0.9886 -0.3634 -0.3607 -0.1037 -0.0953 0.4887 0.4891 0.6073 0.6092 1.2553 1.2603 1.5510 1.5555 2.3313 2.3316 2.4963 2.4964 2.7284 2.7288 2.9727 2.9734 3.1368 3.1377 3.3095 3.3103 3.5348 3.5349 7.6313 7.6567 9.6341 9.6437 10.5490 10.5527 11.4559 11.4560 12.1209 12.1211 k = 0.0000 0.0000 0.3468 ( 4038 PWs) bands (ev): -16.2508 -16.2508 -15.4010 -15.4010 -13.9926 -13.9926 -13.8182 -13.8182 -13.5446 -13.5446 -13.5275 -13.5275 -5.1294 -5.1294 -4.8738 -4.8738 -3.1052 -3.1052 -2.9681 -2.9681 -2.4854 -2.4854 -0.9902 -0.9902 -0.3602 -0.3602 -0.0998 -0.0998 0.4863 0.4863 0.6085 0.6085 1.2583 1.2583 1.5532 1.5532 2.3315 2.3315 2.4960 2.4960 2.7288 2.7288 2.9732 2.9732 3.1370 3.1370 3.3099 3.3099 3.5352 3.5352 7.6429 7.6429 9.6386 9.6386 10.5505 10.5505 11.4553 11.4553 12.1216 12.1216 k = 0.0000 0.0000 0.3468 ( 4038 PWs) bands (ev): -16.2508 -16.2508 -15.4010 -15.4010 -13.9926 -13.9926 -13.8182 -13.8182 -13.5446 -13.5446 -13.5275 -13.5275 -5.1294 -5.1294 -4.8738 -4.8738 -3.1052 -3.1052 -2.9681 -2.9681 -2.4854 -2.4854 -0.9902 -0.9902 -0.3602 -0.3602 -0.0998 -0.0998 0.4863 0.4863 0.6085 0.6085 1.2583 1.2583 1.5532 1.5532 2.3315 2.3315 2.4960 2.4960 2.7288 2.7288 2.9732 2.9732 3.1370 3.1370 3.3099 3.3099 3.5352 3.5352 7.6429 7.6429 9.6386 9.6386 10.5505 10.5505 11.4553 11.4553 12.1216 12.1216 k = 0.0112 0.0077 0.3468 ( 4043 PWs) bands (ev): -16.2503 -16.2502 -15.4010 -15.4003 -13.9933 -13.9930 -13.8186 -13.8183 -13.5525 -13.5470 -13.5254 -13.5205 -5.1321 -5.1300 -4.8731 -4.8731 -3.1068 -3.1030 -2.9674 -2.9641 -2.4882 -2.4836 -0.9944 -0.9894 -0.3711 -0.3533 -0.1062 -0.0911 0.4749 0.4977 0.5982 0.6220 1.2566 1.2619 1.5535 1.5567 2.3301 2.3309 2.4957 2.4958 2.7251 2.7267 2.9723 2.9742 3.1334 3.1388 3.3073 3.3151 3.5349 3.5351 7.6325 7.6557 9.6235 9.6542 10.5435 10.5576 11.4555 11.4567 12.1179 12.1266 k = 0.0224 0.0155 0.3468 ( 4045 PWs) bands (ev): -16.2486 -16.2485 -15.4002 -15.3989 -13.9950 -13.9945 -13.8195 -13.8189 -13.5632 -13.5565 -13.5173 -13.5118 -5.1379 -5.1338 -4.8711 -4.8710 -3.1075 -3.1002 -2.9617 -2.9556 -2.4920 -2.4827 -1.0018 -0.9920 -0.3853 -0.3508 -0.1097 -0.0807 0.4641 0.5072 0.5927 0.6379 1.2570 1.2675 1.5578 1.5640 2.3267 2.3284 2.4948 2.4952 2.7159 2.7188 2.9716 2.9753 3.1282 3.1386 3.3073 3.3224 3.5342 3.5348 7.6247 7.6709 9.6091 9.6704 10.5365 10.5648 11.4573 11.4598 12.1156 12.1330 k = 0.0336 0.0232 0.3468 ( 4051 PWs) bands (ev): -16.2457 -16.2456 -15.3986 -15.3967 -13.9977 -13.9970 -13.8210 -13.8201 -13.5748 -13.5675 -13.5086 -13.5033 -5.1468 -5.1407 -4.8677 -4.8676 -3.1070 -3.0968 -2.9514 -2.9431 -2.4966 -2.4829 -1.0123 -0.9979 -0.4021 -0.3529 -0.1101 -0.0690 0.4543 0.5129 0.5940 0.6555 1.2597 1.2748 1.5658 1.5749 2.3215 2.3240 2.4931 2.4938 2.7017 2.7058 2.9709 2.9761 3.1220 3.1365 3.3099 3.3317 3.5333 3.5341 7.6193 7.6884 9.5952 9.6871 10.5295 10.5724 11.4608 11.4645 12.1146 12.1406 k = 0.0448 0.0310 0.3468 ( 4050 PWs) bands (ev): -16.2417 -16.2415 -15.3963 -15.3938 -14.0014 -14.0005 -13.8231 -13.8220 -13.5866 -13.5790 -13.5004 -13.4954 -5.1586 -5.1506 -4.8630 -4.8628 -3.1048 -3.0924 -2.9370 -2.9272 -2.5019 -2.4839 -1.0258 -1.0071 -0.4208 -0.3594 -0.1074 -0.0565 0.4454 0.5135 0.6028 0.6745 1.2645 1.2838 1.5776 1.5892 2.3144 2.3176 2.4903 2.4914 2.6834 2.6883 2.9700 2.9765 3.1149 3.1327 3.3149 3.3424 3.5321 3.5331 7.6165 7.7081 9.5820 9.7043 10.5223 10.5802 11.4660 11.4709 12.1150 12.1494 k = 0.0560 0.0387 0.3468 ( 4047 PWs) bands (ev): -16.2365 -16.2363 -15.3933 -15.3901 -14.0061 -14.0051 -13.8261 -13.8249 -13.5984 -13.5907 -13.4928 -13.4882 -5.1731 -5.1635 -4.8572 -4.8568 -3.1008 -3.0866 -2.9191 -2.9085 -2.5078 -2.4857 -1.0418 -1.0194 -0.4410 -0.3695 -0.1018 -0.0433 0.4374 0.5101 0.6176 0.6944 1.2717 1.2945 1.5928 1.6067 2.3053 2.3091 2.4859 2.4877 2.6618 2.6673 2.9686 2.9764 3.1074 3.1275 3.3217 3.3543 3.5306 3.5318 7.6160 7.7298 9.5695 9.7219 10.5148 10.5884 11.4729 11.4790 12.1165 12.1593 k = 0.0672 0.0465 0.3468 ( 4049 PWs) bands (ev): -16.2303 -16.2299 -15.3895 -15.3857 -14.0117 -14.0105 -13.8302 -13.8290 -13.6100 -13.6022 -13.4860 -13.4817 -5.1903 -5.1791 -4.8501 -4.8496 -3.0947 -3.0794 -2.8982 -2.8876 -2.5140 -2.4879 -1.0603 -1.0345 -0.4619 -0.3824 -0.0938 -0.0299 0.4301 0.5045 0.6360 0.7150 1.2810 1.3067 1.6112 1.6271 2.2939 2.2983 2.4794 2.4821 2.6382 2.6439 2.9668 2.9756 3.0996 3.1214 3.3301 3.3672 3.5290 3.5302 7.6179 7.7533 9.5576 9.7398 10.5071 10.5971 11.4814 11.4888 12.1192 12.1703 k = 0.0784 0.0542 0.3468 ( 4055 PWs) bands (ev): -16.2228 -16.2225 -15.3851 -15.3807 -14.0182 -14.0170 -13.8355 -13.8344 -13.6211 -13.6133 -13.4799 -13.4760 -5.2099 -5.1973 -4.8419 -4.8411 -3.0866 -3.0704 -2.8751 -2.8651 -2.5201 -2.4903 -1.0808 -1.0521 -0.4831 -0.3973 -0.0842 -0.0163 0.4232 0.4977 0.6566 0.7359 1.2925 1.3206 1.6322 1.6499 2.2800 2.2847 2.4706 2.4745 2.6139 2.6196 2.9643 2.9740 3.0919 3.1148 3.3395 3.3808 3.5271 3.5285 7.6220 7.7786 9.5465 9.7579 10.4990 10.6061 11.4918 11.5003 12.1229 12.1821 k = 0.0896 0.0620 0.3468 ( 4061 PWs) bands (ev): -16.2143 -16.2139 -15.3799 -15.3749 -14.0255 -14.0243 -13.8422 -13.8415 -13.6315 -13.6238 -13.4746 -13.4711 -5.2318 -5.2178 -4.8325 -4.8314 -3.0763 -3.0596 -2.8505 -2.8414 -2.5258 -2.4924 -1.1030 -1.0718 -0.5042 -0.4134 -0.0732 -0.0028 0.4166 0.4904 0.6783 0.7569 1.3060 1.3360 1.6554 1.6746 2.2626 2.2678 2.4595 2.4646 2.5899 2.5955 2.9611 2.9715 3.0846 3.1082 3.3496 3.3949 3.5252 3.5268 7.6282 7.8052 9.5360 9.7762 10.4905 10.6157 11.5038 11.5135 12.1276 12.1946 k = 0.1008 0.0697 0.3468 ( 4057 PWs) bands (ev): -16.2046 -16.2041 -15.3741 -15.3685 -14.0337 -14.0325 -13.8505 -13.8502 -13.6409 -13.6335 -13.4701 -13.4669 -5.2557 -5.2405 -4.8221 -4.8206 -3.0642 -3.0470 -2.8252 -2.8174 -2.5304 -2.4937 -1.1264 -1.0933 -0.5247 -0.4299 -0.0615 0.0105 0.4099 0.4828 0.7004 0.7776 1.3214 1.3531 1.6801 1.7008 2.2407 2.2465 2.4463 2.4532 2.5673 2.5727 2.9571 2.9679 3.0783 3.1022 3.3601 3.4093 3.5232 3.5253 7.6364 7.8331 9.5264 9.7945 10.4817 10.6256 11.5176 11.5284 12.1331 12.2077 k = 0.1120 0.0775 0.3468 ( 4061 PWs) bands (ev): -16.1938 -16.1933 -15.3675 -15.3614 -14.0428 -14.0417 -13.8608 -13.8606 -13.6492 -13.6421 -13.4663 -13.4634 -5.2814 -5.2652 -4.8105 -4.8087 -3.0503 -3.0329 -2.8005 -2.7935 -2.5333 -2.4933 -1.1507 -1.1159 -0.5445 -0.4463 -0.0494 0.0232 0.4032 0.4750 0.7223 0.7979 1.3384 1.3718 1.7057 1.7277 2.2132 2.2201 2.4322 2.4416 2.5464 2.5518 2.9521 2.9630 3.0732 3.0972 3.3706 3.4238 3.5213 3.5241 7.6463 7.8619 9.5177 9.8127 10.4725 10.6360 11.5331 11.5451 12.1393 12.2212 k = 0.1232 0.0852 0.3468 ( 4065 PWs) bands (ev): -16.1819 -16.1813 -15.3604 -15.3537 -14.0529 -14.0519 -13.8731 -13.8723 -13.6564 -13.6497 -13.4633 -13.4607 -5.3088 -5.2917 -4.7979 -4.7956 -3.0348 -3.0173 -2.7780 -2.7703 -2.5335 -2.4902 -1.1754 -1.1392 -0.5633 -0.4623 -0.0373 0.0353 0.3963 0.4671 0.7438 0.8176 1.3569 1.3921 1.7313 1.7545 2.1794 2.1879 2.4184 2.4315 2.5271 2.5324 2.9461 2.9564 3.0701 3.0938 3.3808 3.4379 3.5197 3.5237 7.6578 7.8914 9.5098 9.8307 10.4631 10.6467 11.5504 11.5635 12.1460 12.2348 k = 0.1345 0.0930 0.3468 ( 4059 PWs) bands (ev): -16.1689 -16.1683 -15.3526 -15.3453 -14.0640 -14.0632 -13.8870 -13.8855 -13.6624 -13.6562 -13.4610 -13.4586 -5.3376 -5.3197 -4.7842 -4.7815 -3.0182 -3.0005 -2.7591 -2.7489 -2.5295 -2.4833 -1.2001 -1.1626 -0.5808 -0.4774 -0.0254 0.0463 0.3890 0.4592 0.7646 0.8364 1.3765 1.4140 1.7562 1.7803 2.1396 2.1499 2.4061 2.4243 2.5089 2.5142 2.9391 2.9481 3.0692 3.0925 3.3903 3.4512 3.5189 3.5244 7.6707 7.9213 9.5030 9.8483 10.4534 10.6577 11.5693 11.5836 12.1531 12.2485 k = 0.1457 0.1007 0.3468 ( 4057 PWs) bands (ev): -16.1548 -16.1541 -15.3442 -15.3364 -14.0763 -14.0756 -13.9022 -13.9000 -13.6674 -13.6616 -13.4595 -13.4572 -5.3677 -5.3492 -4.7695 -4.7663 -3.0007 -2.9828 -2.7444 -2.7311 -2.5200 -2.4715 -1.2244 -1.1856 -0.5969 -0.4914 -0.0142 0.0561 0.3814 0.4514 0.7844 0.8541 1.3969 1.4373 1.7794 1.8037 2.0948 2.1067 2.3958 2.4206 2.4914 2.4970 2.9311 2.9381 3.0707 3.0933 3.3988 3.4626 3.5196 3.5267 7.6847 7.9514 9.4973 9.8653 10.4437 10.6690 11.5899 11.6053 12.1605 12.2621 k = 0.1569 0.1085 0.3468 ( 4061 PWs) bands (ev): -16.1396 -16.1389 -15.3353 -15.3270 -14.0899 -14.0894 -13.9183 -13.9154 -13.6715 -13.6662 -13.4587 -13.4564 -5.3989 -5.3798 -4.7537 -4.7501 -2.9828 -2.9646 -2.7343 -2.7184 -2.5040 -2.4541 -1.2477 -1.2077 -0.6116 -0.5041 -0.0038 0.0644 0.3734 0.4437 0.8030 0.8706 1.4177 1.4618 1.7993 1.8227 2.0474 2.0601 2.3872 2.4202 2.4747 2.4807 2.9223 2.9270 3.0744 3.0965 3.4059 3.4707 3.5225 3.5318 7.6998 7.9813 9.4928 9.8816 10.4341 10.6805 11.6121 11.6287 12.1680 12.2754 k = 0.1681 0.1162 0.3468 ( 4067 PWs) bands (ev): -16.1235 -16.1227 -15.3259 -15.3171 -14.1052 -14.1047 -13.9347 -13.9314 -13.6749 -13.6701 -13.4586 -13.4562 -5.4311 -5.4115 -4.7369 -4.7328 -2.9649 -2.9463 -2.7283 -2.7112 -2.4811 -2.4312 -1.2696 -1.2284 -0.6247 -0.5153 0.0055 0.0710 0.3651 0.4364 0.8203 0.8858 1.4383 1.4873 1.8137 1.8337 2.0014 2.0129 2.3797 2.4223 2.4595 2.4657 2.9127 2.9159 3.0801 3.1018 3.4114 3.4749 3.5277 3.5406 7.7155 8.0107 9.4897 9.8970 10.4248 10.6921 11.6358 11.6535 12.1755 12.2882 k = 0.1793 0.1240 0.3468 ( 4072 PWs) bands (ev): -16.1062 -16.1054 -15.3159 -15.3067 -14.1224 -14.1217 -13.9512 -13.9474 -13.6777 -13.6734 -13.4592 -13.4566 -5.4640 -5.4441 -4.7191 -4.7146 -2.9474 -2.9282 -2.7258 -2.7088 -2.4521 -2.4031 -1.2898 -1.2472 -0.6362 -0.5250 0.0134 0.0757 0.3563 0.4293 0.8361 0.8996 1.4583 1.5130 1.8174 1.8287 1.9645 1.9714 2.3722 2.4227 2.4497 2.4526 2.9016 2.9068 3.0876 3.1089 3.4152 3.4759 3.5346 3.5529 7.7317 8.0394 9.4879 9.9114 10.4159 10.7036 11.6610 11.6797 12.1828 12.3004 k = 0.1905 0.1317 0.3468 ( 4077 PWs) bands (ev): -16.0880 -16.0871 -15.3056 -15.2959 -14.1415 -14.1405 -13.9672 -13.9632 -13.6802 -13.6762 -13.4604 -13.4575 -5.4974 -5.4773 -4.7003 -4.6953 -2.9310 -2.9108 -2.7259 -2.7101 -2.4182 -2.3707 -1.3078 -1.2636 -0.6461 -0.5330 0.0198 0.0783 0.3472 0.4225 0.8505 0.9117 1.4768 1.5382 1.8002 1.8018 1.9408 1.9496 2.3639 2.4142 2.4420 2.4521 2.8905 2.8998 3.0963 3.1176 3.4174 3.4749 3.5431 3.5679 7.7483 8.0671 9.4877 9.9245 10.4079 10.7151 11.6875 11.7073 12.1899 12.3120 k = 0.2017 0.1395 0.3468 ( 4078 PWs) bands (ev): -16.0687 -16.0678 -15.2948 -15.2847 -14.1627 -14.1613 -13.9825 -13.9783 -13.6824 -13.6788 -13.4622 -13.4589 -5.5313 -5.5110 -4.6806 -4.6751 -2.9160 -2.8945 -2.7277 -2.7139 -2.3803 -2.3347 -1.3233 -1.2773 -0.6543 -0.5394 0.0246 0.0789 0.3376 0.4161 0.8631 0.9221 1.4928 1.5614 1.7545 1.7643 1.9314 1.9447 2.3544 2.4008 2.4342 2.4626 2.8807 2.8948 3.1060 3.1273 3.4183 3.4729 3.5531 3.5844 7.7649 8.0935 9.4891 9.9363 10.4008 10.7264 11.7152 11.7359 12.1966 12.3228 k = 0.2129 0.1472 0.3468 ( 4080 PWs) bands (ev): -16.0485 -16.0475 -15.2836 -15.2732 -14.1861 -14.1842 -13.9967 -13.9925 -13.6845 -13.6812 -13.4645 -13.4609 -5.5654 -5.5451 -4.6600 -4.6540 -2.9029 -2.8798 -2.7308 -2.7191 -2.3392 -2.2956 -1.3359 -1.2880 -0.6609 -0.5441 0.0275 0.0772 0.3277 0.4099 0.8740 0.9305 1.5041 1.5792 1.7037 1.7161 1.9311 1.9442 2.3444 2.3867 2.4286 2.4765 2.8732 2.8926 3.1164 3.1379 3.4182 3.4705 3.5642 3.6019 7.7815 8.1184 9.4920 9.9467 10.3949 10.7374 11.7440 11.7656 12.2029 12.3327 k = 0.2241 0.1550 0.3468 ( 4078 PWs) bands (ev): -16.0273 -16.0263 -15.2722 -15.2614 -14.2115 -14.2092 -14.0098 -14.0056 -13.6865 -13.6836 -13.4673 -13.4633 -5.5997 -5.5794 -4.6384 -4.6320 -2.8920 -2.8669 -2.7347 -2.7248 -2.2956 -2.2540 -1.3455 -1.2955 -0.6658 -0.5471 0.0286 0.0735 0.3173 0.4039 0.8826 0.9366 1.5063 1.5815 1.6558 1.6759 1.9327 1.9428 2.3352 2.3732 2.4245 2.4924 2.8686 2.8933 3.1272 3.1487 3.4177 3.4681 3.5763 3.6201 7.7978 8.1414 9.4967 9.9556 10.3904 10.7481 11.7736 11.7961 12.2086 12.3418 k = 0.2353 0.1627 0.3468 ( 4081 PWs) bands (ev): -16.0052 -16.0041 -15.2605 -15.2494 -14.2388 -14.2361 -14.0217 -14.0176 -13.6885 -13.6860 -13.4706 -13.4662 -5.6339 -5.6137 -4.6160 -4.6092 -2.8836 -2.8563 -2.7396 -2.7300 -2.2497 -2.2101 -1.3518 -1.2996 -0.6691 -0.5484 0.0275 0.0676 0.3066 0.3979 0.8887 0.9399 1.4904 1.5541 1.6173 1.6661 1.9330 1.9387 2.3275 2.3604 2.4218 2.5097 2.8675 2.8972 3.1380 3.1596 3.4171 3.4659 3.5891 3.6388 7.8136 8.1624 9.5029 9.9629 10.3876 10.7583 11.8039 11.8272 12.2137 12.3500 k = 0.2465 0.1705 0.3468 ( 4087 PWs) bands (ev): -15.9822 -15.9811 -15.2486 -15.2373 -14.2678 -14.2647 -14.0324 -14.0286 -13.6906 -13.6885 -13.4744 -13.4695 -5.6680 -5.6480 -4.5928 -4.5855 -2.8777 -2.8483 -2.7453 -2.7345 -2.2019 -2.1642 -1.3548 -1.3003 -0.6708 -0.5481 0.0244 0.0597 0.2956 0.3919 0.8917 0.9398 1.4526 1.5065 1.5994 1.6725 1.9306 1.9314 2.3218 2.3486 2.4210 2.5281 2.8703 2.9042 3.1486 3.1701 3.4168 3.4642 3.6025 3.6578 7.8288 8.1812 9.5106 9.9687 10.3867 10.7681 11.8348 11.8587 12.2181 12.3573 k = 0.2577 0.1782 0.3468 ( 4085 PWs) bands (ev): -15.9583 -15.9572 -15.2365 -15.2251 -14.2983 -14.2948 -14.0421 -14.0384 -13.6929 -13.6911 -13.4785 -13.4732 -5.7018 -5.6820 -4.5687 -4.5611 -2.8743 -2.8431 -2.7513 -2.7382 -2.1525 -2.1165 -1.3545 -1.2976 -0.6710 -0.5462 0.0190 0.0497 0.2844 0.3859 0.8906 0.9351 1.4043 1.4531 1.5935 1.6801 1.9207 1.9256 2.3169 2.3377 2.4236 2.5477 2.8767 2.9141 3.1586 3.1798 3.4171 3.4632 3.6163 3.6771 7.8433 8.1977 9.5198 9.9729 10.3877 10.7772 11.8658 11.8904 12.2220 12.3637 k = 0.2689 0.1860 0.3468 ( 4080 PWs) bands (ev): -15.9336 -15.9324 -15.2245 -15.2129 -14.3301 -14.3263 -14.0507 -14.0473 -13.6954 -13.6939 -13.4829 -13.4772 -5.7352 -5.7157 -4.5440 -4.5360 -2.8731 -2.8408 -2.7570 -2.7417 -2.1015 -2.0673 -1.3510 -1.2916 -0.6697 -0.5428 0.0113 0.0379 0.2730 0.3797 0.8845 0.9249 1.3554 1.4012 1.5897 1.6840 1.9076 1.9182 2.3110 2.3282 2.4314 2.5686 2.8867 2.9264 3.1678 3.1884 3.4184 3.4630 3.6304 3.6965 7.8570 8.2117 9.5303 9.9758 10.3908 10.7858 11.8968 11.9220 12.2251 12.3692 k = 0.2801 0.1937 0.3468 ( 4081 PWs) bands (ev): -15.9081 -15.9068 -15.2124 -15.2008 -14.3628 -14.3588 -14.0584 -14.0552 -13.6981 -13.6968 -13.4877 -13.4816 -5.7680 -5.7490 -4.5185 -4.5103 -2.8740 -2.8412 -2.7623 -2.7451 -2.0493 -2.0168 -1.3442 -1.2827 -0.6671 -0.5379 0.0011 0.0240 0.2616 0.3733 0.8722 0.9077 1.3111 1.3540 1.5839 1.6820 1.8933 1.9093 2.3028 2.3197 2.4458 2.5911 2.8995 2.9405 3.1760 3.1956 3.4210 3.4637 3.6446 3.7160 7.8699 8.2231 9.5418 9.9773 10.3960 10.7936 11.9275 11.9534 12.2275 12.3738 k = 0.2913 0.2015 0.3468 ( 4081 PWs) bands (ev): -15.8818 -15.8805 -15.2005 -15.1888 -14.3963 -14.3921 -14.0652 -14.0623 -13.7011 -13.7000 -13.4928 -13.4863 -5.8002 -5.7816 -4.4924 -4.4840 -2.8766 -2.8442 -2.7671 -2.7486 -1.9960 -1.9651 -1.3346 -1.2709 -0.6631 -0.5317 -0.0116 0.0081 0.2503 0.3666 0.8527 0.8829 1.2738 1.3134 1.5744 1.6728 1.8790 1.9001 2.2929 2.3114 2.4669 2.6151 2.9145 2.9559 3.1829 3.2011 3.4251 3.4655 3.6590 3.7353 7.8819 8.2318 9.5543 9.9777 10.4033 10.8008 11.9575 11.9843 12.2294 12.3775 k = 0.3025 0.2092 0.3468 ( 4080 PWs) bands (ev): -15.8548 -15.8535 -15.1887 -15.1772 -14.4304 -14.4261 -14.0712 -14.0685 -13.7044 -13.7033 -13.4981 -13.4913 -5.8316 -5.8135 -4.4657 -4.4572 -2.8809 -2.8492 -2.7714 -2.7520 -1.9419 -1.9126 -1.3223 -1.2568 -0.6579 -0.5242 -0.0268 -0.0100 0.2392 0.3596 0.8257 0.8506 1.2448 1.2806 1.5604 1.6558 1.8658 1.8916 2.2825 2.3027 2.4936 2.6406 2.9310 2.9721 3.1885 3.2048 3.4307 3.4685 3.6734 3.7546 7.8929 8.2379 9.5674 9.9769 10.4128 10.8072 11.9866 12.0144 12.2306 12.3804 k = 0.3137 0.2169 0.3468 ( 4078 PWs) bands (ev): -15.8272 -15.8258 -15.1773 -15.1659 -14.4648 -14.4604 -14.0763 -14.0738 -13.7080 -13.7068 -13.5037 -13.4966 -5.8621 -5.8446 -4.4385 -4.4300 -2.8865 -2.8560 -2.7753 -2.7555 -1.8872 -1.8595 -1.3077 -1.2405 -0.6517 -0.5155 -0.0447 -0.0302 0.2281 0.3520 0.7920 0.8124 1.2234 1.2551 1.5416 1.6315 1.8544 1.8844 2.2724 2.2939 2.5246 2.6673 2.9484 2.9887 3.1927 3.2067 3.4379 3.4725 3.6878 3.7735 7.9032 8.2412 9.5811 9.9751 10.4244 10.8129 12.0145 12.0435 12.2312 12.3825 k = 0.3249 0.2247 0.3468 ( 4081 PWs) bands (ev): -15.7990 -15.7976 -15.1663 -15.1552 -14.4994 -14.4950 -14.0808 -14.0784 -13.7119 -13.7105 -13.5094 -13.5020 -5.8916 -5.8747 -4.4110 -4.4026 -2.8934 -2.8642 -2.7788 -2.7587 -1.8323 -1.8061 -1.2911 -1.2226 -0.6444 -0.5057 -0.0657 -0.0522 0.2169 0.3436 0.7533 0.7704 1.2084 1.2360 1.5182 1.6009 1.8447 1.8789 2.2632 2.2855 2.5586 2.6948 2.9660 3.0051 3.1954 3.2069 3.4464 3.4776 3.7022 3.7921 7.9126 8.2419 9.5951 9.9724 10.4382 10.8179 12.0407 12.0713 12.2314 12.3838 k = 0.3361 0.2324 0.3468 ( 4089 PWs) bands (ev): -15.7703 -15.7689 -15.1559 -15.1451 -14.5338 -14.5295 -14.0844 -14.0821 -13.7162 -13.7144 -13.5152 -13.5077 -5.9200 -5.9038 -4.3831 -4.3749 -2.9014 -2.8736 -2.7819 -2.7616 -1.7774 -1.7528 -1.2729 -1.2034 -0.6363 -0.4950 -0.0902 -0.0756 0.2054 0.3340 0.7122 0.7272 1.1979 1.2216 1.4909 1.5657 1.8366 1.8748 2.2553 2.2780 2.5943 2.7227 2.9835 3.0211 3.1968 3.2056 3.4559 3.4835 3.7166 3.8102 7.9212 8.2400 9.6092 9.9686 10.4539 10.8220 12.0651 12.0976 12.2312 12.3846 k = 0.3473 0.2402 0.3468 ( 4090 PWs) bands (ev): -15.7412 -15.7397 -15.1462 -15.1359 -14.5678 -14.5636 -14.0874 -14.0851 -13.7207 -13.7185 -13.5212 -13.5135 -5.9471 -5.9317 -4.3550 -4.3472 -2.9105 -2.8840 -2.7842 -2.7639 -1.7230 -1.6999 -1.2534 -1.1834 -0.6274 -0.4834 -0.1184 -0.1000 0.1930 0.3223 0.6712 0.6851 1.1902 1.2101 1.4604 1.5274 1.8298 1.8721 2.2490 2.2717 2.6308 2.7506 3.0005 3.0365 3.1968 3.2030 3.4662 3.4902 3.7312 3.8278 7.9292 8.2355 9.6235 9.9639 10.4716 10.8254 12.0872 12.1219 12.2309 12.3848 k = 0.3585 0.2479 0.3468 ( 4086 PWs) bands (ev): -15.7118 -15.7102 -15.1374 -15.1276 -14.6011 -14.5972 -14.0897 -14.0872 -13.7254 -13.7229 -13.5272 -13.5194 -5.9730 -5.9583 -4.3269 -4.3196 -2.9206 -2.8952 -2.7856 -2.7653 -1.6694 -1.6480 -1.2331 -1.1629 -0.6178 -0.4710 -0.1500 -0.1254 0.1792 0.3077 0.6331 0.6465 1.1837 1.1997 1.4279 1.4877 1.8243 1.8704 2.2446 2.2669 2.6672 2.7780 3.0166 3.0510 3.1957 3.1996 3.4768 3.4972 3.7458 3.8447 7.9367 8.2286 9.6377 9.9583 10.4910 10.8280 12.1069 12.1436 12.2311 12.3848 k = 0.3697 0.2557 0.3468 ( 4076 PWs) bands (ev): -15.6822 -15.6806 -15.1296 -15.1206 -14.6334 -14.6299 -14.0912 -14.0886 -13.7303 -13.7275 -13.5333 -13.5254 -5.9974 -5.9835 -4.2989 -4.2922 -2.9314 -2.9072 -2.7860 -2.7658 -1.6172 -1.5974 -1.2123 -1.1424 -0.6077 -0.4579 -0.1844 -0.1519 0.1634 0.2890 0.6002 0.6132 1.1767 1.1889 1.3949 1.4482 1.8199 1.8695 2.2420 2.2639 2.7029 2.8046 3.0317 3.0644 3.1934 3.1956 3.4874 3.5045 3.7607 3.8608 7.9438 8.2194 9.6520 9.9516 10.5119 10.8297 12.1238 12.1617 12.2325 12.3847 k = 0.3809 0.2634 0.3468 ( 4075 PWs) bands (ev): -15.6526 -15.6510 -15.1231 -15.1151 -14.6643 -14.6614 -14.0920 -14.0892 -13.7355 -13.7323 -13.5393 -13.5315 -6.0204 -6.0072 -4.2711 -4.2652 -2.9428 -2.9197 -2.7852 -2.7651 -1.5668 -1.5488 -1.1914 -1.1224 -0.5972 -0.4442 -0.2211 -0.1795 0.1451 0.2656 0.5741 0.5866 1.1673 1.1758 1.3633 1.4109 1.8169 1.8694 2.2415 2.2626 2.7371 2.8299 3.0454 3.0768 3.1894 3.1920 3.4976 3.5116 3.7759 3.8760 7.9505 8.2080 9.6661 9.9439 10.5342 10.8306 12.1376 12.1746 12.2366 12.3848 k = 0.3922 0.2712 0.3468 ( 4083 PWs) bands (ev): -15.6233 -15.6216 -15.1181 -15.1111 -14.6934 -14.6911 -14.0922 -14.0890 -13.7409 -13.7374 -13.5453 -13.5376 -6.0418 -6.0294 -4.2439 -4.2389 -2.9548 -2.9326 -2.7831 -2.7632 -1.5189 -1.5028 -1.1709 -1.1032 -0.5864 -0.4300 -0.2594 -0.2077 0.1242 0.2372 0.5558 0.5677 1.1535 1.1584 1.3356 1.3779 1.8151 1.8701 2.2429 2.2632 2.7695 2.8536 3.0578 3.0878 3.1844 3.1884 3.5070 3.5183 3.7914 3.8904 7.9571 8.1946 9.6803 9.9352 10.5576 10.8305 12.1481 12.1814 12.2444 12.3854 k = 0.4034 0.2789 0.3468 ( 4085 PWs) bands (ev): -15.5944 -15.5927 -15.1147 -15.1090 -14.7203 -14.7188 -14.0916 -14.0882 -13.7464 -13.7426 -13.5512 -13.5437 -6.0614 -6.0499 -4.2173 -4.2134 -2.9670 -2.9458 -2.7794 -2.7599 -1.4742 -1.4600 -1.1510 -1.0853 -0.5753 -0.4153 -0.2983 -0.2364 0.1006 0.2048 0.5448 0.5568 1.1332 1.1352 1.3139 1.3512 1.8148 1.8718 2.2463 2.2656 2.7996 2.8753 3.0686 3.0977 3.1791 3.1844 3.5151 3.5242 3.8074 3.9037 7.9636 8.1795 9.6944 9.9255 10.5817 10.8295 12.1550 12.1827 12.2553 12.3869 k = 0.4146 0.2867 0.3468 ( 4087 PWs) bands (ev): -15.5665 -15.5647 -15.1131 -15.1088 -14.7446 -14.7438 -14.0904 -14.0866 -13.7520 -13.7480 -13.5570 -13.5498 -6.0794 -6.0687 -4.1917 -4.1889 -2.9793 -2.9590 -2.7742 -2.7550 -1.4333 -1.4212 -1.1322 -1.0692 -0.5640 -0.4006 -0.3364 -0.2651 0.0749 0.1696 0.5406 0.5537 1.1056 1.1058 1.2994 1.3317 1.8161 1.8746 2.2514 2.2697 2.8271 2.8949 3.0777 3.1062 3.1738 3.1801 3.5218 3.5293 3.8239 3.9159 7.9702 8.1629 9.7085 9.9150 10.6062 10.8274 12.1582 12.1803 12.2676 12.3894 k = 0.4258 0.2944 0.3468 ( 4088 PWs) bands (ev): -15.5399 -15.5382 -15.1130 -15.1103 -14.7663 -14.7653 -14.0885 -14.0843 -13.7578 -13.7535 -13.5626 -13.5558 -6.0955 -6.0856 -4.1674 -4.1659 -2.9916 -2.9721 -2.7673 -2.7485 -1.3973 -1.3872 -1.1148 -1.0553 -0.5526 -0.3914 -0.3671 -0.2931 0.0475 0.1330 0.5426 0.5573 1.0709 1.0718 1.2913 1.3190 1.8191 1.8786 2.2581 2.2755 2.8517 2.9121 3.0850 3.1134 3.1689 3.1755 3.5267 3.5330 3.8408 3.9270 7.9769 8.1451 9.7225 9.9038 10.6309 10.8242 12.1577 12.1753 12.2800 12.3929 k = 0.4370 0.3022 0.3468 ( 4089 PWs) bands (ev): -15.5154 -15.5137 -15.1144 -15.1132 -14.7851 -14.7831 -14.0860 -14.0815 -13.7637 -13.7592 -13.5679 -13.5616 -6.1096 -6.1006 -4.1448 -4.1442 -3.0036 -2.9849 -2.7586 -2.7401 -1.3668 -1.3588 -1.0989 -1.0442 -0.5417 -0.4141 -0.3623 -0.3201 0.0193 0.0961 0.5502 0.5666 1.0323 1.0336 1.2882 1.3118 1.8240 1.8840 2.2663 2.2828 2.8733 2.9268 3.0905 3.1193 3.1644 3.1706 3.5296 3.5354 3.8579 3.9367 7.9837 8.1264 9.7364 9.8919 10.6553 10.8198 12.1541 12.1683 12.2919 12.3974 k = 0.4482 0.3099 0.3468 ( 4091 PWs) bands (ev): -15.4938 -15.4923 -15.1168 -15.1162 -14.8005 -14.7975 -14.0828 -14.0780 -13.7696 -13.7649 -13.5730 -13.5673 -6.1219 -6.1136 -4.1250 -4.1235 -3.0153 -2.9973 -2.7481 -2.7298 -1.3429 -1.3367 -1.0849 -1.0361 -0.5323 -0.4425 -0.3462 -0.3453 -0.0093 0.0598 0.5631 0.5807 0.9914 0.9931 1.2887 1.3088 1.8310 1.8911 2.2758 2.2915 2.8918 2.9387 3.0940 3.1241 3.1605 3.1656 3.5303 3.5360 3.8752 3.9452 7.9907 8.1072 9.7500 9.8798 10.6791 10.8141 12.1476 12.1596 12.3031 12.4027 k = 0.4594 0.3177 0.3468 ( 4095 PWs) bands (ev): -15.4763 -15.4750 -15.1196 -15.1177 -14.8125 -14.8085 -14.0792 -14.0740 -13.7755 -13.7708 -13.5777 -13.5727 -6.1320 -6.1246 -4.1076 -4.1047 -3.0264 -3.0091 -2.7357 -2.7175 -1.3264 -1.3216 -1.0728 -1.0315 -0.5279 -0.4623 -0.3686 -0.3284 -0.0375 0.0248 0.5806 0.5992 0.9496 0.9516 1.2919 1.3090 1.8401 1.8999 2.2865 2.3014 2.9072 2.9478 3.0955 3.1276 3.1572 3.1604 3.5288 3.5348 3.8922 3.9522 7.9976 8.0882 9.7632 9.8678 10.7020 10.8071 12.1390 12.1491 12.3134 12.4085 k = 0.5000 0.3458-0.1671 ( 4086 PWs) bands (ev): -15.4344 -15.4344 -15.1627 -15.1627 -14.8103 -14.8103 -14.0436 -14.0436 -13.8139 -13.8139 -13.5599 -13.5599 -6.3129 -6.3129 -3.7725 -3.7725 -2.9094 -2.9094 -2.8094 -2.8094 -1.4716 -1.4716 -0.8959 -0.8959 -0.5802 -0.5802 -0.4938 -0.4938 -0.1789 -0.1789 0.7272 0.7272 0.9697 0.9697 1.3820 1.3820 1.7984 1.7984 2.3352 2.3352 2.8772 2.8772 3.0332 3.0332 3.1875 3.1875 3.6381 3.6381 3.9349 3.9349 8.0190 8.0190 9.8036 9.8036 10.8327 10.8327 12.1171 12.1171 12.4434 12.4434 k = 0.5076 0.3348-0.1671 ( 4084 PWs) bands (ev): -15.4354 -15.4353 -15.1627 -15.1623 -14.8096 -14.8095 -14.0436 -14.0434 -13.8140 -13.8139 -13.5600 -13.5596 -6.3123 -6.3122 -3.7743 -3.7742 -2.9096 -2.9096 -2.8081 -2.8081 -1.4775 -1.4701 -0.9088 -0.8838 -0.5956 -0.5638 -0.4937 -0.4935 -0.1784 -0.1773 0.7275 0.7276 0.9682 0.9699 1.3834 1.3840 1.7983 1.7989 2.3358 2.3359 2.8755 2.8786 3.0315 3.0355 3.1869 3.1872 3.6373 3.6382 3.9343 3.9345 8.0126 8.0268 9.8037 9.8038 10.8271 10.8361 12.1133 12.1203 12.4411 12.4412 k = 0.5152 0.3238-0.1671 ( 4086 PWs) bands (ev): -15.4383 -15.4382 -15.1625 -15.1617 -14.8072 -14.8070 -14.0433 -14.0429 -13.8144 -13.8143 -13.5599 -13.5592 -6.3105 -6.3105 -3.7793 -3.7792 -2.9103 -2.9103 -2.8040 -2.8040 -1.4877 -1.4731 -0.9220 -0.8730 -0.6088 -0.5487 -0.4933 -0.4913 -0.1755 -0.1734 0.7286 0.7288 0.9657 0.9690 1.3881 1.3893 1.7987 1.7999 2.3376 2.3378 2.8733 2.8793 3.0303 3.0383 3.1857 3.1861 3.6359 3.6376 3.9327 3.9330 8.0074 8.0358 9.8042 9.8045 10.8195 10.8374 12.1091 12.1229 12.4344 12.4346 k = 0.5228 0.3128-0.1671 ( 4086 PWs) bands (ev): -15.4430 -15.4429 -15.1619 -15.1607 -14.8032 -14.8029 -14.0428 -14.0421 -13.8151 -13.8148 -13.5596 -13.5586 -6.3075 -6.3075 -3.7876 -3.7874 -2.9115 -2.9114 -2.7974 -2.7974 -1.5019 -1.4804 -0.9354 -0.8644 -0.6192 -0.5390 -0.4932 -0.4829 -0.1705 -0.1674 0.7304 0.7308 0.9622 0.9670 1.3960 1.3979 1.7996 1.8014 2.3407 2.3410 2.8708 2.8795 3.0299 3.0415 3.1836 3.1843 3.6337 3.6363 3.9300 3.9304 8.0035 8.0462 9.8052 9.8055 10.8101 10.8364 12.1043 12.1250 12.4234 12.4237 k = 0.5304 0.3019-0.1671 ( 4094 PWs) bands (ev): -15.4496 -15.4494 -15.1610 -15.1595 -14.7978 -14.7974 -14.0420 -14.0411 -13.8159 -13.8156 -13.5592 -13.5579 -6.3034 -6.3033 -3.7989 -3.7986 -2.9132 -2.9131 -2.7883 -2.7883 -1.5198 -1.4917 -0.9490 -0.8589 -0.6263 -0.5374 -0.4927 -0.4661 -0.1634 -0.1594 0.7330 0.7335 0.9581 0.9642 1.4066 1.4094 1.8010 1.8034 2.3449 2.3453 2.8679 2.8790 3.0302 3.0450 3.1807 3.1816 3.6309 3.6343 3.9262 3.9267 8.0006 8.0579 9.8067 9.8067 10.7989 10.8332 12.0990 12.1264 12.4084 12.4089 k = 0.5379 0.2909-0.1671 ( 4092 PWs) bands (ev): -15.4578 -15.4576 -15.1599 -15.1579 -14.7909 -14.7905 -14.0409 -14.0399 -13.8170 -13.8166 -13.5586 -13.5569 -6.2981 -6.2980 -3.8130 -3.8127 -2.9154 -2.9152 -2.7770 -2.7769 -1.5410 -1.5068 -0.9628 -0.8573 -0.6304 -0.5418 -0.4910 -0.4434 -0.1541 -0.1493 0.7364 0.7370 0.9536 0.9610 1.4197 1.4237 1.8030 1.8060 2.3503 2.3508 2.8647 2.8777 3.0313 3.0488 3.1771 3.1783 3.6274 3.6316 3.9214 3.9221 7.9989 8.0710 9.8083 9.8087 10.7861 10.8278 12.0933 12.1273 12.3896 12.3905 k = 0.5455 0.2799-0.1671 ( 4090 PWs) bands (ev): -15.4676 -15.4674 -15.1584 -15.1561 -14.7828 -14.7822 -14.0396 -14.0384 -13.8183 -13.8178 -13.5578 -13.5558 -6.2916 -6.2915 -3.8296 -3.8292 -2.9180 -2.9178 -2.7636 -2.7636 -1.5651 -1.5253 -0.9771 -0.8598 -0.6325 -0.5497 -0.4872 -0.4173 -0.1428 -0.1373 0.7404 0.7413 0.9490 0.9575 1.4349 1.4404 1.8056 1.8091 2.3567 2.3574 2.8611 2.8755 3.0332 3.0529 3.1728 3.1742 3.6232 3.6283 3.9155 3.9163 7.9980 8.0853 9.8100 9.8112 10.7720 10.8202 12.0871 12.1276 12.3675 12.3690 k = 0.5531 0.2690-0.1671 ( 4088 PWs) bands (ev): -15.4789 -15.4786 -15.1567 -15.1540 -14.7734 -14.7728 -14.0381 -14.0367 -13.8198 -13.8192 -13.5568 -13.5546 -6.2840 -6.2838 -3.8484 -3.8480 -2.9211 -2.9209 -2.7486 -2.7485 -1.5916 -1.5468 -0.9919 -0.8664 -0.6342 -0.5599 -0.4801 -0.3892 -0.1297 -0.1236 0.7452 0.7464 0.9447 0.9541 1.4521 1.4591 1.8089 1.8130 2.3642 2.3650 2.8571 2.8724 3.0359 3.0572 3.1677 3.1693 3.6185 3.6243 3.9086 3.9095 7.9979 8.1008 9.8120 9.8143 10.7566 10.8104 12.0804 12.1272 12.3425 12.3446 k = 0.5607 0.2580-0.1671 ( 4090 PWs) bands (ev): -15.4915 -15.4912 -15.1547 -15.1516 -14.7631 -14.7624 -14.0363 -14.0347 -13.8215 -13.8208 -13.5556 -13.5531 -6.2753 -6.2751 -3.8692 -3.8687 -2.9246 -2.9244 -2.7320 -2.7319 -1.6202 -1.5710 -1.0073 -0.8765 -0.6370 -0.5720 -0.4688 -0.3597 -0.1148 -0.1082 0.7507 0.7522 0.9409 0.9510 1.4707 1.4796 1.8128 1.8175 2.3725 2.3734 2.8526 2.8684 3.0394 3.0615 3.1619 3.1638 3.6132 3.6196 3.9006 3.9017 7.9985 8.1175 9.8141 9.8180 10.7403 10.7987 12.0734 12.1261 12.3151 12.3181 k = 0.5683 0.2470-0.1671 ( 4084 PWs) bands (ev): -15.5053 -15.5050 -15.1524 -15.1489 -14.7517 -14.7510 -14.0342 -14.0325 -13.8234 -13.8226 -13.5543 -13.5515 -6.2654 -6.2652 -3.8916 -3.8911 -2.9285 -2.9283 -2.7142 -2.7140 -1.6505 -1.5974 -1.0236 -0.8896 -0.6420 -0.5857 -0.4531 -0.3292 -0.0983 -0.0914 0.7570 0.7589 0.9377 0.9486 1.4907 1.5015 1.8176 1.8228 2.3817 2.3828 2.8476 2.8634 3.0435 3.0659 3.1555 3.1576 3.6073 3.6144 3.8915 3.8928 7.9997 8.1352 9.8163 9.8223 10.7233 10.7851 12.0659 12.1243 12.2860 12.2899 k = 0.5759 0.2360-0.1671 ( 4080 PWs) bands (ev): -15.5202 -15.5199 -15.1499 -15.1460 -14.7396 -14.7388 -14.0319 -14.0301 -13.8254 -13.8246 -13.5527 -13.5497 -6.2545 -6.2542 -3.9153 -3.9148 -2.9329 -2.9326 -2.6954 -2.6952 -1.6822 -1.6257 -1.0406 -0.9050 -0.6497 -0.6007 -0.4333 -0.2981 -0.0805 -0.0734 0.7640 0.7663 0.9355 0.9469 1.5117 1.5247 1.8232 1.8290 2.3916 2.3928 2.8421 2.8574 3.0481 3.0701 3.1484 3.1509 3.6009 3.6087 3.8815 3.8829 8.0012 8.1538 9.8185 9.8272 10.7058 10.7699 12.0579 12.1216 12.2556 12.2605 k = 0.5835 0.2251-0.1671 ( 4080 PWs) bands (ev): -15.5361 -15.5358 -15.1471 -15.1429 -14.7268 -14.7259 -14.0294 -14.0274 -13.8276 -13.8267 -13.5510 -13.5477 -6.2425 -6.2422 -3.9402 -3.9396 -2.9376 -2.9373 -2.6757 -2.6755 -1.7150 -1.6556 -1.0584 -0.9224 -0.6600 -0.6168 -0.4100 -0.2665 -0.0614 -0.0543 0.7718 0.7747 0.9343 0.9462 1.5335 1.5489 1.8297 1.8360 2.4022 2.4035 2.8361 2.8506 3.0531 3.0741 3.1408 3.1437 3.5941 3.6024 3.8704 3.8720 8.0029 8.1733 9.8207 9.8326 10.6881 10.7531 12.0493 12.1177 12.2247 12.2304 k = 0.5911 0.2141-0.1671 ( 4076 PWs) bands (ev): -15.5529 -15.5525 -15.1441 -15.1395 -14.7134 -14.7125 -14.0267 -14.0246 -13.8299 -13.8289 -13.5491 -13.5455 -6.2294 -6.2291 -3.9659 -3.9654 -2.9426 -2.9423 -2.6555 -2.6552 -1.7487 -1.6867 -1.0770 -0.9412 -0.6725 -0.6340 -0.3841 -0.2346 -0.0415 -0.0344 0.7804 0.7839 0.9343 0.9466 1.5561 1.5739 1.8371 1.8440 2.4134 2.4148 2.8295 2.8429 3.0580 3.0775 3.1329 3.1363 3.5869 3.5956 3.8582 3.8600 8.0047 8.1934 9.8227 9.8386 10.6706 10.7352 12.0399 12.1121 12.1944 12.2004 k = 0.5986 0.2031-0.1671 ( 4072 PWs) bands (ev): -15.5705 -15.5701 -15.1409 -15.1360 -14.6994 -14.6985 -14.0237 -14.0215 -13.8324 -13.8313 -13.5469 -13.5431 -6.2154 -6.2150 -3.9923 -3.9918 -2.9480 -2.9477 -2.6348 -2.6345 -1.7831 -1.7189 -1.0965 -0.9614 -0.6868 -0.6520 -0.3563 -0.2026 -0.0208 -0.0140 0.7898 0.7940 0.9354 0.9482 1.5791 1.5995 1.8455 1.8528 2.4250 2.4266 2.8223 2.8344 3.0627 3.0798 3.1248 3.1291 3.5793 3.5884 3.8451 3.8470 8.0063 8.2140 9.8246 9.8450 10.6535 10.7164 12.0296 12.1033 12.1664 12.1710 k = 0.6062 0.1921-0.1671 ( 4074 PWs) bands (ev): -15.5887 -15.5883 -15.1375 -15.1322 -14.6851 -14.6842 -14.0205 -14.0182 -13.8349 -13.8337 -13.5446 -13.5405 -6.2004 -6.2000 -4.0192 -4.0186 -2.9537 -2.9533 -2.6139 -2.6135 -1.8179 -1.7519 -1.1166 -0.9826 -0.7026 -0.6708 -0.3270 -0.1707 0.0004 0.0068 0.8002 0.8053 0.9379 0.9509 1.6026 1.6255 1.8548 1.8627 2.4371 2.4388 2.8144 2.8252 3.0663 3.0804 3.1171 3.1228 3.5714 3.5808 3.8309 3.8331 8.0076 8.2350 9.8261 9.8518 10.6373 10.6971 12.0180 12.0885 12.1429 12.1439 k = 0.6138 0.1812-0.1671 ( 4074 PWs) bands (ev): -15.6076 -15.6072 -15.1339 -15.1283 -14.6705 -14.6695 -14.0171 -14.0147 -13.8375 -13.8363 -13.5421 -13.5378 -6.1844 -6.1840 -4.0463 -4.0458 -2.9597 -2.9592 -2.5928 -2.5923 -1.8530 -1.7855 -1.1373 -1.0047 -0.7195 -0.6902 -0.2969 -0.1390 0.0216 0.0276 0.8116 0.8176 0.9416 0.9550 1.6263 1.6519 1.8651 1.8734 2.4494 2.4513 2.8060 2.8152 3.0680 3.0782 3.1108 3.1182 3.5633 3.5728 3.8157 3.8181 8.0084 8.2561 9.8272 9.8589 10.6222 10.6774 12.0045 12.0663 12.1170 12.1286 k = 0.6214 0.1702-0.1671 ( 4076 PWs) bands (ev): -15.6269 -15.6266 -15.1301 -15.1242 -14.6556 -14.6546 -14.0135 -14.0111 -13.8401 -13.8388 -13.5393 -13.5349 -6.1675 -6.1671 -4.0736 -4.0731 -2.9659 -2.9654 -2.5717 -2.5712 -1.8884 -1.8194 -1.1586 -1.0275 -0.7372 -0.7100 -0.2662 -0.1075 0.0427 0.0481 0.8242 0.8311 0.9466 0.9602 1.6502 1.6784 1.8763 1.8852 2.4621 2.4640 2.7969 2.8046 3.0662 3.0727 3.1070 3.1158 3.5551 3.5646 3.7996 3.8022 8.0087 8.2772 9.8277 9.8660 10.6088 10.6580 11.9888 12.0390 12.0939 12.1184 k = 0.3786-0.5475-0.0000 ( 4076 PWs) bands (ev): -15.6269 -15.6266 -15.1301 -15.1242 -14.6556 -14.6546 -14.0135 -14.0111 -13.8401 -13.8388 -13.5393 -13.5349 -6.1675 -6.1671 -4.0736 -4.0731 -2.9659 -2.9654 -2.5717 -2.5712 -1.8884 -1.8194 -1.1586 -1.0275 -0.7372 -0.7100 -0.2662 -0.1075 0.0427 0.0481 0.8242 0.8311 0.9466 0.9602 1.6502 1.6784 1.8763 1.8852 2.4621 2.4640 2.7969 2.8046 3.0662 3.0727 3.1070 3.1158 3.5551 3.5646 3.7996 3.8022 8.0087 8.2772 9.8277 9.8660 10.6088 10.6580 11.9888 12.0390 12.0939 12.1184 k = 0.3709-0.5363-0.0000 ( 4078 PWs) bands (ev): -15.6472 -15.6468 -15.1262 -15.1199 -14.6403 -14.6393 -14.0096 -14.0071 -13.8428 -13.8415 -13.5363 -13.5317 -6.1495 -6.1490 -4.1014 -4.1009 -2.9725 -2.9719 -2.5503 -2.5497 -1.9243 -1.8542 -1.1807 -1.0511 -0.7559 -0.7304 -0.2347 -0.0759 0.0638 0.0685 0.8381 0.8462 0.9530 0.9668 1.6747 1.7055 1.8886 1.8980 2.4751 2.4772 2.7870 2.7932 3.0602 3.0643 3.1063 3.1151 3.5466 3.5561 3.7821 3.7850 8.0082 8.2984 9.8274 9.8730 10.5973 10.6387 11.9702 12.0094 12.0738 12.1101 k = 0.3631-0.5251-0.0000 ( 4076 PWs) bands (ev): -15.6678 -15.6674 -15.1220 -15.1155 -14.6249 -14.6238 -14.0055 -14.0030 -13.8455 -13.8441 -13.5331 -13.5283 -6.1305 -6.1299 -4.1291 -4.1286 -2.9795 -2.9787 -2.5290 -2.5284 -1.9601 -1.8890 -1.2031 -1.0752 -0.7750 -0.7509 -0.2031 -0.0449 0.0840 0.0880 0.8534 0.8628 0.9607 0.9747 1.6991 1.7326 1.9018 1.9117 2.4883 2.4904 2.7765 2.7811 3.0511 3.0538 3.1078 3.1153 3.5382 3.5474 3.7638 3.7670 8.0068 8.3192 9.8263 9.8797 10.5884 10.6203 11.9492 11.9794 12.0572 12.1026 k = 0.3554-0.5139-0.0000 ( 4080 PWs) bands (ev): -15.6887 -15.6884 -15.1178 -15.1109 -14.6095 -14.6084 -14.0012 -13.9987 -13.8482 -13.8467 -13.5296 -13.5247 -6.1106 -6.1101 -4.1565 -4.1561 -2.9867 -2.9858 -2.5081 -2.5074 -1.9957 -1.9238 -1.2257 -1.0995 -0.7941 -0.7713 -0.1717 -0.0144 0.1032 0.1064 0.8700 0.8809 0.9697 0.9838 1.7236 1.7594 1.9159 1.9262 2.5015 2.5036 2.7654 2.7686 3.0400 3.0420 3.1100 3.1155 3.5298 3.5387 3.7445 3.7480 8.0045 8.3394 9.8240 9.8855 10.5825 10.6033 11.9265 11.9499 12.0435 12.0951 k = 0.3477-0.5028-0.0000 ( 4084 PWs) bands (ev): -15.7100 -15.7097 -15.1135 -15.1063 -14.5941 -14.5930 -13.9967 -13.9942 -13.8507 -13.8492 -13.5259 -13.5209 -6.0900 -6.0894 -4.1836 -4.1833 -2.9942 -2.9931 -2.4876 -2.4868 -2.0310 -1.9583 -1.2483 -1.1239 -0.8132 -0.7915 -0.1406 0.0152 0.1211 0.1234 0.8880 0.9005 0.9800 0.9939 1.7479 1.7860 1.9307 1.9414 2.5146 2.5168 2.7536 2.7555 3.0278 3.0293 3.1122 3.1153 3.5216 3.5301 3.7243 3.7281 8.0011 8.3587 9.8205 9.8903 10.5801 10.5879 11.9029 11.9212 12.0321 12.0874 k = 0.3400-0.4916-0.0000 ( 4078 PWs) bands (ev): -15.7315 -15.7312 -15.1091 -15.1016 -14.5788 -14.5777 -13.9921 -13.9896 -13.8532 -13.8516 -13.5221 -13.5169 -6.0686 -6.0679 -4.2103 -4.2100 -3.0020 -3.0006 -2.4676 -2.4668 -2.0657 -1.9925 -1.2708 -1.1481 -0.8319 -0.8112 -0.1101 0.0440 0.1375 0.1389 0.9073 0.9217 0.9916 1.0052 1.7720 1.8122 1.9461 1.9573 2.5276 2.5298 2.7413 2.7420 3.0149 3.0160 3.1137 3.1144 3.5137 3.5216 3.7033 3.7075 7.9967 8.3771 9.8156 9.8938 10.5746 10.5815 11.8790 11.8934 12.0225 12.0793 k = 0.3322-0.4804-0.0000 ( 4074 PWs) bands (ev): -15.7532 -15.7529 -15.1046 -15.0969 -14.5637 -14.5625 -13.9872 -13.9848 -13.8555 -13.8539 -13.5179 -13.5127 -6.0465 -6.0457 -4.2365 -4.2363 -3.0101 -3.0084 -2.4483 -2.4474 -2.0999 -2.0261 -1.2931 -1.1721 -0.8501 -0.8302 -0.0802 0.0718 0.1522 0.1527 0.9276 0.9443 1.0046 1.0176 1.7959 1.8379 1.9622 1.9737 2.5402 2.5425 2.7281 2.7285 3.0016 3.0024 3.1127 3.1144 3.5061 3.5133 3.6815 3.6861 7.9913 8.3942 9.8092 9.8956 10.5636 10.5870 11.8553 11.8667 12.0142 12.0709 k = 0.3245-0.4693-0.0000 ( 4080 PWs) bands (ev): -15.7750 -15.7747 -15.1001 -15.0921 -14.5489 -14.5476 -13.9822 -13.9799 -13.8576 -13.8560 -13.5136 -13.5083 -6.0236 -6.0229 -4.2621 -4.2620 -3.0186 -3.0166 -2.4297 -2.4287 -2.1334 -2.0592 -1.3149 -1.1956 -0.8675 -0.8483 -0.0511 0.0983 0.1647 0.1653 0.9487 0.9681 1.0193 1.0312 1.8196 1.8631 1.9786 1.9904 2.5524 2.5548 2.7139 2.7152 2.9881 2.9886 3.1101 3.1140 3.4988 3.5053 3.6589 3.6640 7.9848 8.4100 9.8013 9.8957 10.5549 10.5967 11.8321 11.8411 12.0071 12.0621 k = 0.3168-0.4581-0.0000 ( 4080 PWs) bands (ev): -15.7969 -15.7966 -15.0956 -15.0874 -14.5343 -14.5330 -13.9770 -13.9748 -13.8595 -13.8578 -13.5091 -13.5037 -6.0002 -5.9993 -4.2872 -4.2871 -3.0274 -3.0250 -2.4121 -2.4109 -2.1662 -2.0916 -1.3361 -1.2186 -0.8839 -0.8653 -0.0229 0.1233 0.1748 0.1769 0.9700 0.9929 1.0360 1.0461 1.8429 1.8875 1.9955 2.0075 2.5639 2.5665 2.6994 2.7016 2.9746 2.9748 3.1064 3.1124 3.4920 3.4978 3.6358 3.6413 7.9775 8.4244 9.7919 9.8941 10.5486 10.6105 11.8094 11.8165 12.0012 12.0529 k = 0.3091-0.4469-0.0000 ( 4084 PWs) bands (ev): -15.8188 -15.8186 -15.0911 -15.0826 -14.5200 -14.5188 -13.9717 -13.9695 -13.8612 -13.8594 -13.5044 -13.4990 -5.9761 -5.9752 -4.3115 -4.3115 -3.0367 -3.0339 -2.3955 -2.3942 -2.1980 -2.1233 -1.3566 -1.2408 -0.8990 -0.8810 0.0042 0.1460 0.1833 0.1878 0.9908 1.0177 1.0551 1.0628 1.8658 1.9112 2.0125 2.0246 2.5745 2.5773 2.6849 2.6879 2.9613 2.9614 3.1016 3.1095 3.4856 3.4906 3.6120 3.6180 7.9693 8.4372 9.7810 9.8907 10.5447 10.6281 11.7874 11.7928 11.9963 12.0433 k = 0.3013-0.4357-0.0000 ( 4092 PWs) bands (ev): -15.8407 -15.8405 -15.0866 -15.0779 -14.5062 -14.5049 -13.9662 -13.9642 -13.8625 -13.8607 -13.4995 -13.4941 -5.9514 -5.9505 -4.3352 -4.3351 -3.0463 -3.0431 -2.3801 -2.3787 -2.2289 -2.1541 -1.3762 -1.2622 -0.9126 -0.8951 0.0300 0.1646 0.1901 0.1994 1.0106 1.0415 1.0770 1.0822 1.8882 1.9340 2.0296 2.0418 2.5835 2.5869 2.6705 2.6745 2.9482 2.9486 3.0957 3.1052 3.4796 3.4839 3.5878 3.5944 7.9604 8.4483 9.7690 9.8858 10.5429 10.6493 11.7660 11.7700 11.9926 12.0334 k = 0.2936-0.4246-0.0000 ( 4086 PWs) bands (ev): -15.8627 -15.8624 -15.0821 -15.0733 -14.4928 -14.4915 -13.9606 -13.9587 -13.8635 -13.8617 -13.4944 -13.4890 -5.9262 -5.9253 -4.3582 -4.3580 -3.0565 -3.0528 -2.3662 -2.3645 -2.2587 -2.1839 -1.3948 -1.2825 -0.9244 -0.9075 0.0544 0.1771 0.1956 0.2142 1.0290 1.0630 1.1016 1.1053 1.9102 1.9557 2.0467 2.0588 2.5902 2.5946 2.6568 2.6620 2.9358 2.9365 3.0888 3.0996 3.4742 3.4777 3.5632 3.5704 7.9509 8.4579 9.7558 9.8796 10.5430 10.6736 11.7452 11.7481 11.9902 12.0233 k = 0.2859-0.4134-0.0000 ( 4090 PWs) bands (ev): -15.8845 -15.8843 -15.0777 -15.0687 -14.4799 -14.4786 -13.9548 -13.9530 -13.8641 -13.8623 -13.4891 -13.4837 -5.9006 -5.8996 -4.3804 -4.3801 -3.0671 -3.0629 -2.3542 -2.3517 -2.2870 -2.2128 -1.4122 -1.3016 -0.9342 -0.9178 0.0769 0.1837 0.2000 0.2317 1.0462 1.0821 1.1285 1.1318 1.9315 1.9763 2.0636 2.0755 2.5932 2.5990 2.6449 2.6517 2.9243 2.9255 3.0809 3.0925 3.4691 3.4719 3.5383 3.5462 7.9410 8.4658 9.7419 9.8722 10.5446 10.7002 11.7249 11.7268 11.9891 12.0131 k = 0.2781-0.4022-0.0000 ( 4092 PWs) bands (ev): -15.9062 -15.9060 -15.0733 -15.0643 -14.4676 -14.4662 -13.9489 -13.9473 -13.8642 -13.8624 -13.4836 -13.4784 -5.8745 -5.8734 -4.4017 -4.4014 -3.0782 -3.0735 -2.3455 -2.3407 -2.3125 -2.2407 -1.4284 -1.3194 -0.9419 -0.9259 0.0971 0.1863 0.2039 0.2502 1.0623 1.0995 1.1571 1.1607 1.9522 1.9956 2.0803 2.0919 2.5907 2.5977 2.6372 2.6452 2.9142 2.9157 3.0720 3.0842 3.4644 3.4664 3.5133 3.5220 7.9309 8.4720 9.7274 9.8641 10.5473 10.7286 11.7050 11.7061 11.9895 12.0029 k = 0.2704-0.3910-0.0000 ( 4096 PWs) bands (ev): -15.9278 -15.9276 -15.0691 -15.0599 -14.4559 -14.4545 -13.9429 -13.9414 -13.8640 -13.8622 -13.4780 -13.4728 -5.8481 -5.8469 -4.4222 -4.4218 -3.0898 -3.0846 -2.3505 -2.3316 -2.3251 -2.2675 -1.4431 -1.3358 -0.9471 -0.9316 0.1143 0.1863 0.2081 0.2683 1.0778 1.1159 1.1869 1.1909 1.9722 2.0134 2.0965 2.1077 2.5828 2.5896 2.6345 2.6423 2.9056 2.9075 3.0623 3.0745 3.4601 3.4608 3.4883 3.4982 7.9207 8.4768 9.7127 9.8555 10.5505 10.7580 11.6854 11.6859 11.9915 11.9930 k = 0.2627-0.3799-0.0000 ( 4090 PWs) bands (ev): -15.9491 -15.9490 -15.0649 -15.0557 -14.4448 -14.4434 -13.9368 -13.9355 -13.8632 -13.8614 -13.4723 -13.4672 -5.8213 -5.8201 -4.4419 -4.4413 -3.1019 -3.0962 -2.3721 -2.3247 -2.3218 -2.2930 -1.4562 -1.3506 -0.9497 -0.9346 0.1276 0.1843 0.2136 0.2855 1.0926 1.1316 1.2172 1.2217 1.9912 2.0297 2.1122 2.1229 2.5713 2.5772 2.6341 2.6411 2.8989 2.9012 3.0517 3.0637 3.4539 3.4553 3.4641 3.4763 7.9107 8.4800 9.6980 9.8466 10.5540 10.7877 11.6660 11.6660 11.9835 11.9950 k = 0.2550-0.3687-0.0000 ( 4096 PWs) bands (ev): -15.9703 -15.9701 -15.0609 -15.0515 -14.4344 -14.4329 -13.9306 -13.9294 -13.8619 -13.8601 -13.4665 -13.4614 -5.7942 -5.7930 -4.4606 -4.4599 -3.1145 -3.1084 -2.3956 -2.3239 -2.3174 -2.3134 -1.4677 -1.3638 -0.9494 -0.9348 0.1362 0.1807 0.2212 0.3016 1.1070 1.1470 1.2476 1.2525 2.0093 2.0441 2.1272 2.1373 2.5581 2.5631 2.6335 2.6398 2.8942 2.8968 3.0404 3.0519 3.4376 3.4404 3.4534 3.4614 7.9010 8.4819 9.6835 9.8377 10.5572 10.8169 11.6464 11.6467 11.9748 12.0003 k = 0.2472-0.3575-0.0000 ( 4088 PWs) bands (ev): -15.9912 -15.9910 -15.0570 -15.0476 -14.4247 -14.4232 -13.9243 -13.9233 -13.8601 -13.8584 -13.4605 -13.4556 -5.7670 -5.7657 -4.4783 -4.4775 -3.1276 -3.1211 -2.4186 -2.3436 -2.3147 -2.3144 -1.4774 -1.3751 -0.9463 -0.9322 0.1401 0.1759 0.2312 0.3163 1.1211 1.1620 1.2778 1.2829 2.0262 2.0564 2.1414 2.1507 2.5445 2.5485 2.6317 2.6373 2.8915 2.8944 3.0286 3.0391 3.4135 3.4196 3.4497 3.4546 7.8918 8.4825 9.6696 9.8290 10.5598 10.8449 11.6269 11.6273 11.9671 12.0071 k = 0.2395-0.3464-0.0000 ( 4088 PWs) bands (ev): -16.0118 -16.0116 -15.0532 -15.0438 -14.4157 -14.4142 -13.9180 -13.9171 -13.8578 -13.8560 -13.4544 -13.4496 -5.7396 -5.7383 -4.4951 -4.4942 -3.1411 -3.1343 -2.4406 -2.3661 -2.3140 -2.3140 -1.4853 -1.3847 -0.9401 -0.9265 0.1401 0.1698 0.2427 0.3297 1.1348 1.1767 1.3073 1.3126 2.0417 2.0665 2.1547 2.1632 2.5312 2.5339 2.6284 2.6332 2.8908 2.8940 3.0161 3.0256 3.3898 3.3971 3.4464 3.4501 7.8832 8.4820 9.6563 9.8208 10.5614 10.8709 11.6074 11.6079 11.9607 12.0156 k = 0.2318-0.3352-0.0000 ( 4094 PWs) bands (ev): -16.0321 -16.0319 -15.0496 -15.0402 -14.4075 -14.4060 -13.9115 -13.9109 -13.8549 -13.8532 -13.4483 -13.4437 -5.7122 -5.7108 -4.5109 -4.5099 -3.1551 -3.1479 -2.4616 -2.3879 -2.3155 -2.3154 -1.4913 -1.3924 -0.9309 -0.9178 0.1372 0.1629 0.2549 0.3415 1.1483 1.1910 1.3359 1.3412 2.0556 2.0741 2.1668 2.1745 2.5189 2.5197 2.6236 2.6275 2.8917 2.8952 3.0033 3.0114 3.3668 3.3747 3.4432 3.4464 7.8755 8.4805 9.6440 9.8131 10.5618 10.8942 11.5879 11.5884 11.9559 12.0256 k = 0.2241-0.3240-0.0000 ( 4084 PWs) bands (ev): -16.0520 -16.0519 -15.0461 -15.0367 -14.4001 -14.3986 -13.9050 -13.9045 -13.8514 -13.8498 -13.4421 -13.4376 -5.6847 -5.6833 -4.5256 -4.5245 -3.1695 -3.1620 -2.4816 -2.4088 -2.3192 -2.3191 -1.4953 -1.3982 -0.9186 -0.9060 0.1323 0.1551 0.2671 0.3519 1.1615 1.2050 1.3632 1.3685 2.0678 2.0789 2.1778 2.1847 2.5062 2.5080 2.6176 2.6205 2.8939 2.8978 2.9903 2.9966 3.3448 3.3530 3.4402 3.4430 7.8687 8.4782 9.6327 9.8061 10.5608 10.9141 11.5682 11.5687 11.9531 12.0370 k = 0.2163-0.3128-0.0000 ( 4088 PWs) bands (ev): -16.0716 -16.0715 -15.0428 -15.0334 -14.3934 -14.3918 -13.8985 -13.8982 -13.8475 -13.8459 -13.4359 -13.4316 -5.6574 -5.6559 -4.5393 -4.5381 -3.1841 -3.1765 -2.5006 -2.4290 -2.3251 -2.3249 -1.4974 -1.4020 -0.9032 -0.8912 0.1259 0.1467 0.2788 0.3607 1.1744 1.2186 1.3891 1.3942 2.0778 2.0808 2.1875 2.1935 2.4938 2.4989 2.6106 2.6123 2.8969 2.9013 2.9771 2.9816 3.3239 3.3322 3.4372 3.4397 7.8631 8.4750 9.6227 9.8000 10.5583 10.9300 11.5484 11.5488 11.9524 12.0494 k = 0.2086-0.3017-0.0000 ( 4090 PWs) bands (ev): -16.0907 -16.0906 -15.0396 -15.0304 -14.3874 -14.3859 -13.8920 -13.8918 -13.8430 -13.8414 -13.4297 -13.4255 -5.6302 -5.6287 -4.5519 -4.5506 -3.1991 -3.1913 -2.5186 -2.4483 -2.3331 -2.3329 -1.4976 -1.4040 -0.8849 -0.8734 0.1186 0.1378 0.2896 0.3680 1.1869 1.2317 1.4132 1.4181 2.0796 2.0854 2.1958 2.2010 2.4827 2.4917 2.6031 2.6034 2.9001 2.9054 2.9641 2.9663 3.3043 3.3125 3.4342 3.4364 7.8587 8.4713 9.6139 9.7949 10.5542 10.9417 11.5284 11.5288 11.9539 12.0628 k = 0.2009-0.2905-0.0000 ( 4088 PWs) bands (ev): -16.1094 -16.1093 -15.0366 -15.0275 -14.3822 -14.3806 -13.8855 -13.8854 -13.8381 -13.8366 -13.4235 -13.4194 -5.6034 -5.6018 -4.5633 -4.5619 -3.2142 -3.2063 -2.5357 -2.4669 -2.3431 -2.3428 -1.4958 -1.4040 -0.8638 -0.8529 0.1105 0.1286 0.2994 0.3739 1.1991 1.2442 1.4354 1.4400 2.0754 2.0905 2.2028 2.2072 2.4732 2.4867 2.5938 2.5952 2.9029 2.9097 2.9510 2.9516 3.2862 3.2942 3.4311 3.4331 7.8556 8.4671 9.6066 9.7909 10.5486 10.9486 11.5081 11.5085 11.9579 12.0769 k = 0.1932-0.2793-0.0000 ( 4086 PWs) bands (ev): -16.1277 -16.1276 -15.0338 -15.0248 -14.3777 -14.3761 -13.8790 -13.8789 -13.8327 -13.8312 -13.4173 -13.4134 -5.5768 -5.5753 -4.5735 -4.5720 -3.2293 -3.2215 -2.5520 -2.4847 -2.3550 -2.3546 -1.4921 -1.4022 -0.8401 -0.8297 0.1019 0.1190 0.3082 0.3783 1.2109 1.2562 1.4556 1.4598 2.0684 2.0926 2.2084 2.2120 2.4655 2.4836 2.5839 2.5872 2.9042 2.9137 2.9361 2.9408 3.2698 3.2774 3.4280 3.4297 7.8540 8.4625 9.6008 9.7880 10.5416 10.9509 11.4875 11.4879 11.9642 12.0914 k = 0.1854-0.2681-0.0000 ( 4088 PWs) bands (ev): -16.1454 -16.1453 -15.0312 -15.0223 -14.3738 -14.3722 -13.8727 -13.8724 -13.8269 -13.8255 -13.4111 -13.4074 -5.5508 -5.5492 -4.5825 -4.5810 -3.2446 -3.2368 -2.5674 -2.5019 -2.3686 -2.3681 -1.4865 -1.3985 -0.8140 -0.8042 0.0930 0.1094 0.3159 0.3813 1.2222 1.2673 1.4736 1.4773 2.0588 2.0919 2.2127 2.2156 2.4596 2.4824 2.5737 2.5792 2.9018 2.9146 2.9243 2.9334 3.2552 3.2622 3.4248 3.4262 7.8538 8.4576 9.5966 9.7864 10.5333 10.9483 11.4666 11.4671 11.9726 12.1061 k = 0.1777-0.2570-0.0000 ( 4086 PWs) bands (ev): -16.1627 -16.1626 -15.0287 -15.0200 -14.3706 -14.3690 -13.8663 -13.8660 -13.8208 -13.8194 -13.4050 -13.4015 -5.5254 -5.5237 -4.5903 -4.5886 -3.2597 -3.2521 -2.5821 -2.5185 -2.3837 -2.3831 -1.4792 -1.3932 -0.7856 -0.7764 0.0841 0.0998 0.3224 0.3830 1.2329 1.2775 1.4893 1.4925 2.0471 2.0882 2.2158 2.2180 2.4556 2.4827 2.5634 2.5712 2.8947 2.9036 2.9243 2.9309 3.2424 3.2488 3.4215 3.4226 7.8553 8.4525 9.5941 9.7861 10.5239 10.9413 11.4454 11.4460 11.9829 12.1207 k = 0.1700-0.2458-0.0000 ( 4086 PWs) bands (ev): -16.1793 -16.1793 -15.0263 -15.0178 -14.3679 -14.3664 -13.8601 -13.8596 -13.8144 -13.8131 -13.3990 -13.3956 -5.5006 -5.4990 -4.5967 -4.5950 -3.2748 -3.2672 -2.5960 -2.5345 -2.4001 -2.3994 -1.4702 -1.3862 -0.7554 -0.7468 0.0751 0.0902 0.3278 0.3834 1.2429 1.2867 1.5027 1.5053 2.0339 2.0819 2.2177 2.2193 2.4533 2.4840 2.5530 2.5632 2.8844 2.8897 2.9273 2.9314 3.2315 3.2372 3.4181 3.4188 7.8582 8.4472 9.5933 9.7872 10.5136 10.9300 11.4239 11.4246 11.9948 12.1350 k = 0.1623-0.2346-0.0000 ( 4084 PWs) bands (ev): -16.1955 -16.1954 -15.0242 -15.0159 -14.3658 -14.3643 -13.8539 -13.8534 -13.8077 -13.8065 -13.3931 -13.3899 -5.4767 -5.4750 -4.6019 -4.6001 -3.2896 -3.2823 -2.6093 -2.5499 -2.4177 -2.4169 -1.4596 -1.3777 -0.7235 -0.7155 0.0663 0.0809 0.3322 0.3827 1.2520 1.2945 1.5138 1.5159 2.0195 2.0731 2.2187 2.2199 2.4523 2.4860 2.5425 2.5551 2.8730 2.8760 2.9304 2.9331 3.2224 3.2274 3.4145 3.4150 7.8628 8.4417 9.5942 9.7896 10.5027 10.9149 11.4019 11.4029 12.0079 12.1488 k = 0.1545-0.2235-0.0000 ( 4080 PWs) bands (ev): -16.2110 -16.2109 -15.0222 -15.0141 -14.3642 -14.3627 -13.8478 -13.8472 -13.8009 -13.7997 -13.3873 -13.3843 -5.4537 -5.4520 -4.6056 -4.6038 -3.3042 -3.2970 -2.6220 -2.5647 -2.4363 -2.4354 -1.4474 -1.3679 -0.6902 -0.6829 0.0579 0.0720 0.3355 0.3811 1.2600 1.3007 1.5227 1.5243 2.0046 2.0623 2.2189 2.2197 2.4522 2.4880 2.5322 2.5470 2.8616 2.8629 2.9332 2.9352 3.2150 3.2193 3.4108 3.4109 7.8690 8.4360 9.5969 9.7936 10.4915 10.8963 11.3795 11.3807 12.0220 12.1619 k = 0.1468-0.2123-0.0000 ( 4074 PWs) bands (ev): -16.2259 -16.2258 -15.0203 -15.0125 -14.3630 -14.3615 -13.8418 -13.8412 -13.7940 -13.7929 -13.3816 -13.3788 -5.4317 -5.4300 -4.6080 -4.6061 -3.3184 -3.3115 -2.6340 -2.5790 -2.4556 -2.4546 -1.4340 -1.3568 -0.6560 -0.6493 0.0499 0.0636 0.3380 0.3785 1.2668 1.3051 1.5295 1.5307 1.9896 2.0500 2.2185 2.2191 2.4524 2.4892 2.5222 2.5388 2.8506 2.8507 2.9358 2.9376 3.2092 3.2127 3.4068 3.4069 7.8767 8.4302 9.6014 9.7990 10.4803 10.8749 11.3566 11.3581 12.0365 12.1742 k = 0.1391-0.2011-0.0000 ( 4074 PWs) bands (ev): -16.2402 -16.2401 -15.0186 -15.0111 -14.3622 -14.3607 -13.8360 -13.8353 -13.7870 -13.7860 -13.3762 -13.3735 -5.4108 -5.4092 -4.6090 -4.6071 -3.3322 -3.3256 -2.6454 -2.5928 -2.4754 -2.4743 -1.4193 -1.3447 -0.6211 -0.6150 0.0425 0.0558 0.3396 0.3752 1.2722 1.3073 1.5344 1.5353 1.9750 2.0366 2.2176 2.2182 2.4524 2.4883 2.5136 2.5306 2.8394 2.8405 2.9383 2.9400 3.2046 3.2076 3.4025 3.4030 7.8860 8.4242 9.6076 9.8059 10.4693 10.8511 11.3332 11.3349 12.0513 12.1856 k = 0.1313-0.1899-0.0000 ( 4072 PWs) bands (ev): -16.2538 -16.2537 -15.0170 -15.0098 -14.3617 -14.3603 -13.8303 -13.8296 -13.7800 -13.7790 -13.3709 -13.3684 -5.3912 -5.3895 -4.6087 -4.6068 -3.3455 -3.3392 -2.6563 -2.6062 -2.4956 -2.4944 -1.4037 -1.3317 -0.5859 -0.5805 0.0358 0.0487 0.3404 0.3712 1.2758 1.3073 1.5375 1.5384 1.9611 2.0227 2.2165 2.2172 2.4517 2.4834 2.5080 2.5225 2.8293 2.8313 2.9408 2.9426 3.2012 3.2037 3.3981 3.3989 7.8968 8.4180 9.6157 9.8142 10.4588 10.8253 11.3092 11.3112 12.0661 12.1960 k = 0.1236-0.1788-0.0000 ( 4070 PWs) bands (ev): -16.2667 -16.2667 -15.0156 -15.0087 -14.3615 -14.3601 -13.8248 -13.8241 -13.7731 -13.7722 -13.3658 -13.3634 -5.3728 -5.3712 -4.6071 -4.6052 -3.3583 -3.3523 -2.6666 -2.6190 -2.5160 -2.5147 -1.3871 -1.3180 -0.5508 -0.5460 0.0301 0.0426 0.3406 0.3668 1.2777 1.3048 1.5390 1.5403 1.9482 2.0087 2.2152 2.2162 2.4496 2.4742 2.5053 2.5146 2.8206 2.8232 2.9434 2.9453 3.1988 3.2008 3.3937 3.3947 7.9090 8.4115 9.6255 9.8239 10.4491 10.7980 11.2845 11.2868 12.0806 12.2053 k = 0.1159-0.1676-0.0000 ( 4070 PWs) bands (ev): -16.2790 -16.2789 -15.0143 -15.0077 -14.3616 -14.3603 -13.8195 -13.8188 -13.7663 -13.7655 -13.3609 -13.3587 -5.3558 -5.3543 -4.6042 -4.6024 -3.3705 -3.3649 -2.6764 -2.6314 -2.5363 -2.5349 -1.3699 -1.3037 -0.5162 -0.5121 0.0255 0.0376 0.3402 0.3621 1.2776 1.2998 1.5392 1.5411 1.9366 1.9950 2.2139 2.2153 2.4457 2.4628 2.5036 2.5073 2.8132 2.8164 2.9460 2.9481 3.1971 3.1987 3.3892 3.3905 7.9226 8.4046 9.6371 9.8348 10.4405 10.7698 11.2593 11.2619 12.0947 12.2135 k = 0.1082-0.1564-0.0000 ( 4074 PWs) bands (ev): -16.2905 -16.2905 -15.0131 -15.0069 -14.3618 -14.3606 -13.8145 -13.8137 -13.7597 -13.7589 -13.3562 -13.3542 -5.3402 -5.3387 -4.6003 -4.5984 -3.3821 -3.3768 -2.6856 -2.6433 -2.5563 -2.5549 -1.3521 -1.2892 -0.4826 -0.4792 0.0222 0.0339 0.3393 0.3571 1.2754 1.2925 1.5382 1.5409 1.9266 1.9820 2.2127 2.2146 2.4397 2.4502 2.5006 2.5015 2.8072 2.8110 2.9487 2.9510 3.1960 3.1973 3.3847 3.3862 7.9375 8.3972 9.6503 9.8468 10.4332 10.7410 11.2334 11.2362 12.1083 12.2207 k = 0.1004-0.1452-0.0000 ( 4069 PWs) bands (ev): -16.3013 -16.3013 -15.0120 -15.0062 -14.3622 -14.3610 -13.8097 -13.8089 -13.7533 -13.7526 -13.3518 -13.3500 -5.3260 -5.3245 -4.5952 -4.5935 -3.3930 -3.3881 -2.6943 -2.6547 -2.5758 -2.5744 -1.3341 -1.2746 -0.4504 -0.4476 0.0203 0.0316 0.3381 0.3521 1.2712 1.2829 1.5362 1.5399 1.9182 1.9701 2.2117 2.2141 2.4318 2.4372 2.4945 2.4987 2.8027 2.8068 2.9515 2.9540 3.1954 3.1965 3.3802 3.3819 7.9535 8.3894 9.6651 9.8597 10.4274 10.7121 11.2069 11.2100 12.1212 12.2268 k = 0.0927-0.1341-0.0000 ( 4065 PWs) bands (ev): -16.3114 -16.3114 -15.0110 -15.0056 -14.3628 -14.3616 -13.8051 -13.8044 -13.7472 -13.7466 -13.3476 -13.3460 -5.3132 -5.3118 -4.5894 -4.5877 -3.4033 -3.3987 -2.7025 -2.6658 -2.5946 -2.5933 -1.3160 -1.2600 -0.4201 -0.4179 0.0202 0.0310 0.3366 0.3472 1.2651 1.2715 1.5334 1.5382 1.9115 1.9594 2.2109 2.2139 2.4223 2.4240 2.4886 2.4949 2.7995 2.8040 2.9544 2.9570 3.1951 3.1961 3.3759 3.3777 7.9706 8.3809 9.6813 9.8732 10.4233 10.6836 11.1799 11.1831 12.1335 12.2319 k = 0.0850-0.1229-0.0000 ( 4059 PWs) bands (ev): -16.3207 -16.3207 -15.0101 -15.0051 -14.3634 -14.3623 -13.8009 -13.8002 -13.7414 -13.7408 -13.3437 -13.3422 -5.3017 -5.3004 -4.5828 -4.5812 -3.4128 -3.4085 -2.7102 -2.6765 -2.6125 -2.6113 -1.2980 -1.2459 -0.3921 -0.3905 0.0218 0.0320 0.3348 0.3424 1.2571 1.2588 1.5299 1.5356 1.9067 1.9502 2.2104 2.2138 2.4108 2.4117 2.4829 2.4902 2.7977 2.8022 2.9572 2.9599 3.1951 3.1960 3.3716 3.3735 7.9887 8.3717 9.6989 9.8870 10.4211 10.6558 11.1525 11.1558 12.1451 12.2359 k = 0.0773-0.1117-0.0000 ( 4063 PWs) bands (ev): -16.3293 -16.3293 -15.0093 -15.0047 -14.3640 -14.3630 -13.7969 -13.7962 -13.7360 -13.7355 -13.3402 -13.3388 -5.2915 -5.2903 -4.5758 -4.5743 -3.4215 -3.4176 -2.7175 -2.6870 -2.6291 -2.6282 -1.2804 -1.2322 -0.3668 -0.3658 0.0252 0.0348 0.3330 0.3380 1.2451 1.2477 1.5259 1.5322 1.9035 1.9425 2.2101 2.2139 2.3980 2.4004 2.4771 2.4847 2.7969 2.8015 2.9599 2.9627 3.1953 3.1961 3.3675 3.3694 8.0075 8.3618 9.7177 9.9007 10.4207 10.6292 11.1249 11.1282 12.1559 12.2390 k = 0.0695-0.1006-0.0000 ( 4065 PWs) bands (ev): -16.3371 -16.3371 -15.0085 -15.0044 -14.3647 -14.3638 -13.7933 -13.7926 -13.7310 -13.7305 -13.3369 -13.3357 -5.2826 -5.2815 -4.5685 -4.5671 -3.4295 -3.4260 -2.7243 -2.6972 -2.6442 -2.6438 -1.2634 -1.2194 -0.3445 -0.3439 0.0305 0.0393 0.3311 0.3339 1.2310 1.2370 1.5214 1.5282 1.9019 1.9364 2.2100 2.2142 2.3856 2.3888 2.4712 2.4787 2.7971 2.8015 2.9626 2.9653 3.1957 3.1963 3.3636 3.3656 8.0271 8.3510 9.7374 9.9137 10.4222 10.6042 11.0974 11.1006 12.1660 12.2412 k = 0.0618-0.0894-0.0000 ( 4067 PWs) bands (ev): -16.3441 -16.3441 -15.0079 -15.0041 -14.3654 -14.3646 -13.7900 -13.7894 -13.7264 -13.7260 -13.3339 -13.3328 -5.2749 -5.2740 -4.5612 -4.5599 -3.4366 -3.4335 -2.7307 -2.7071 -2.6579 -2.6577 -1.2472 -1.2075 -0.3254 -0.3251 0.0374 0.0453 0.3292 0.3303 1.2170 1.2256 1.5167 1.5237 1.9017 1.9317 2.2102 2.2147 2.3738 2.3774 2.4653 2.4724 2.7980 2.8021 2.9650 2.9677 3.1961 3.1967 3.3600 3.3619 8.0472 8.3393 9.7580 9.9254 10.4255 10.5813 11.0702 11.0733 12.1754 12.2425 k = 0.0541-0.0782-0.0000 ( 4063 PWs) bands (ev): -16.3503 -16.3502 -15.0073 -15.0040 -14.3660 -14.3653 -13.7870 -13.7865 -13.7223 -13.7220 -13.3312 -13.3303 -5.2683 -5.2675 -4.5540 -4.5529 -3.4429 -3.4402 -2.7367 -2.7168 -2.6703 -2.6694 -1.2319 -1.1968 -0.3095 -0.3094 0.0455 0.0525 0.3272 0.3273 1.2036 1.2138 1.5119 1.5187 1.9026 1.9282 2.2105 2.2151 2.3629 2.3665 2.4596 2.4660 2.7994 2.8032 2.9673 2.9698 3.1965 3.1971 3.3567 3.3585 8.0678 8.3266 9.7791 9.9354 10.4305 10.5609 11.0438 11.0466 12.1842 12.2430 k = 0.0464-0.0670-0.0000 ( 4071 PWs) bands (ev): -16.3556 -16.3556 -15.0067 -15.0039 -14.3666 -14.3660 -13.7844 -13.7839 -13.7187 -13.7184 -13.3289 -13.3281 -5.2628 -5.2621 -4.5473 -4.5463 -3.4484 -3.4461 -2.7424 -2.7260 -2.6808 -2.6793 -1.2179 -1.1875 -0.2966 -0.2965 0.0544 0.0603 0.3246 0.3256 1.1912 1.2021 1.5073 1.5137 1.9043 1.9258 2.2111 2.2156 2.3531 2.3563 2.4541 2.4598 2.8010 2.8044 2.9692 2.9716 3.1970 3.1975 3.3538 3.3554 8.0886 8.3130 9.8005 9.9428 10.4369 10.5432 11.0188 11.0212 12.1922 12.2428 k = 0.0386-0.0559-0.0000 ( 4069 PWs) bands (ev): -16.3602 -16.3602 -15.0062 -15.0039 -14.3671 -14.3666 -13.7822 -13.7818 -13.7156 -13.7153 -13.3269 -13.3263 -5.2583 -5.2576 -4.5411 -4.5403 -3.4530 -3.4511 -2.7474 -2.7345 -2.6894 -2.6874 -1.2052 -1.1796 -0.2864 -0.2863 0.0634 0.0683 0.3226 0.3241 1.1803 1.1910 1.5030 1.5088 1.9066 1.9241 2.2118 2.2161 2.3444 2.3472 2.4491 2.4540 2.8028 2.8058 2.9710 2.9730 3.1975 3.1979 3.3512 3.3526 8.1096 8.2984 9.8219 9.9472 10.4445 10.5284 10.9956 10.9977 12.1996 12.2419 k = 0.0309-0.0447-0.0000 ( 4065 PWs) bands (ev): -16.3639 -16.3639 -15.0058 -15.0039 -14.3675 -14.3671 -13.7803 -13.7800 -13.7130 -13.7128 -13.3253 -13.3247 -5.2546 -5.2541 -4.5358 -4.5351 -3.4568 -3.4552 -2.7519 -2.7420 -2.6962 -2.6940 -1.1942 -1.1735 -0.2787 -0.2786 0.0719 0.0757 0.3211 0.3227 1.1712 1.1808 1.4993 1.5042 1.9093 1.9230 2.2126 2.2165 2.3371 2.3393 2.4449 2.4488 2.8046 2.8070 2.9725 2.9742 3.1979 3.1983 3.3491 3.3503 8.1305 8.2828 9.8430 9.9481 10.4527 10.5163 10.9751 10.9768 12.2064 12.2403 k = 0.0232-0.0335-0.0000 ( 4061 PWs) bands (ev): -16.3669 -16.3669 -15.0054 -15.0040 -14.3679 -14.3676 -13.7789 -13.7786 -13.7110 -13.7108 -13.3239 -13.3236 -5.2518 -5.2514 -4.5315 -4.5310 -3.4597 -3.4585 -2.7554 -2.7484 -2.7011 -2.6991 -1.1848 -1.1692 -0.2730 -0.2729 0.0793 0.0821 0.3201 0.3216 1.1641 1.1720 1.4964 1.5002 1.9119 1.9221 2.2135 2.2167 2.3312 2.3328 2.4414 2.4444 2.8061 2.8080 2.9737 2.9750 3.1983 3.1985 3.3475 3.3484 8.1514 8.2663 9.8634 9.9454 10.4612 10.5065 10.9581 10.9593 12.2126 12.2380 k = 0.0155-0.0223-0.0000 ( 4059 PWs) bands (ev): -16.3689 -16.3689 -15.0051 -15.0041 -14.3681 -14.3679 -13.7778 -13.7777 -13.7095 -13.7094 -13.3230 -13.3227 -5.2498 -5.2496 -4.5282 -4.5279 -3.4617 -3.4609 -2.7579 -2.7534 -2.7044 -2.7029 -1.1772 -1.1668 -0.2692 -0.2691 0.0851 0.0869 0.3196 0.3207 1.1594 1.1650 1.4944 1.4970 1.9145 1.9211 2.2144 2.2167 2.3270 2.3280 2.4390 2.4410 2.8074 2.8086 2.9746 2.9755 3.1985 3.1987 3.3464 3.3470 8.1719 8.2489 9.8827 9.9389 10.4695 10.4985 10.9452 10.9460 12.2183 12.2352 k = 0.0077-0.0112-0.0000 ( 4061 PWs) bands (ev): -16.3702 -16.3702 -15.0048 -15.0043 -14.3682 -14.3681 -13.7772 -13.7771 -13.7086 -13.7086 -13.3224 -13.3223 -5.2486 -5.2485 -4.5262 -4.5261 -3.4628 -3.4624 -2.7590 -2.7568 -2.7061 -2.7053 -1.1716 -1.1664 -0.2669 -0.2669 0.0889 0.0898 0.3194 0.3200 1.1572 1.1601 1.4934 1.4947 1.9167 1.9200 2.2152 2.2164 2.3245 2.3250 2.4377 2.4387 2.8083 2.8090 2.9752 2.9757 3.1987 3.1988 3.3457 3.3460 8.1920 8.2306 9.9004 9.9290 10.4773 10.4914 10.9372 10.9377 12.2233 12.2318 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3706 -16.3706 -15.0045 -15.0045 -14.3682 -14.3682 -13.7769 -13.7769 -13.7083 -13.7083 -13.3222 -13.3222 -5.2482 -5.2482 -4.5255 -4.5255 -3.4631 -3.4631 -2.7587 -2.7587 -2.7063 -2.7063 -1.1680 -1.1680 -0.2662 -0.2662 0.0905 0.0905 0.3196 0.3196 1.1574 1.1574 1.4935 1.4935 1.9185 1.9185 2.2159 2.2159 2.3238 2.3238 2.4376 2.4376 2.8089 2.8089 2.9756 2.9756 3.1988 3.1988 3.3456 3.3456 8.2117 8.2117 9.9160 9.9160 10.4845 10.4845 10.9347 10.9347 12.2278 12.2278 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3706 -16.3706 -15.0045 -15.0045 -14.3682 -14.3682 -13.7769 -13.7769 -13.7083 -13.7083 -13.3222 -13.3222 -5.2482 -5.2482 -4.5255 -4.5255 -3.4631 -3.4631 -2.7587 -2.7587 -2.7063 -2.7063 -1.1680 -1.1680 -0.2662 -0.2662 0.0905 0.0905 0.3196 0.3196 1.1574 1.1574 1.4935 1.4935 1.9185 1.9185 2.2159 2.2159 2.3238 2.3238 2.4376 2.4376 2.8089 2.8089 2.9756 2.9756 3.1988 3.1988 3.3456 3.3456 8.2117 8.2117 9.9160 9.9160 10.4845 10.4845 10.9347 10.9347 12.2278 12.2278 k = 0.0125-0.0047-0.0021 ( 4060 PWs) bands (ev): -16.3702 -16.3701 -15.0047 -15.0042 -14.3683 -14.3679 -13.7774 -13.7773 -13.7087 -13.7082 -13.3227 -13.3221 -5.2485 -5.2482 -4.5269 -4.5266 -3.4626 -3.4621 -2.7619 -2.7534 -2.7086 -2.7020 -1.1727 -1.1649 -0.2680 -0.2664 0.0804 0.0983 0.3160 0.3239 1.1534 1.1631 1.4843 1.5036 1.9130 1.9171 2.2145 2.2223 2.3242 2.3265 2.4378 2.4387 2.8082 2.8089 2.9754 2.9760 3.1986 3.1988 3.3455 3.3458 8.1941 8.2286 9.9015 9.9284 10.4757 10.4923 10.9292 10.9455 12.2213 12.2345 k = 0.0250-0.0094-0.0042 ( 4060 PWs) bands (ev): -16.3688 -16.3687 -15.0050 -15.0040 -14.3683 -14.3674 -13.7787 -13.7784 -13.7094 -13.7084 -13.3239 -13.3227 -5.2492 -5.2485 -4.5308 -4.5303 -3.4609 -3.4599 -2.7630 -2.7466 -2.7083 -2.6955 -1.1789 -1.1635 -0.2720 -0.2686 0.0686 0.1035 0.3135 0.3286 1.1511 1.1700 1.4762 1.5142 1.9014 1.9090 2.2183 2.2320 2.3273 2.3325 2.4391 2.4411 2.8069 2.8083 2.9755 2.9766 3.1982 3.1986 3.3456 3.3461 8.1760 8.2449 9.8849 9.9386 10.4666 10.4989 10.9297 10.9611 12.2149 12.2410 k = 0.0375-0.0141-0.0063 ( 4065 PWs) bands (ev): -16.3666 -16.3663 -15.0053 -15.0037 -14.3681 -14.3668 -13.7808 -13.7804 -13.7102 -13.7088 -13.3255 -13.3237 -5.2502 -5.2492 -4.5370 -4.5362 -3.4578 -3.4562 -2.7626 -2.7397 -2.7043 -2.6865 -1.1867 -1.1637 -0.2782 -0.2726 0.0558 0.1057 0.3122 0.3334 1.1504 1.1776 1.4699 1.5251 1.8850 1.8955 2.2265 2.2434 2.3328 2.3421 2.4419 2.4451 2.8050 2.8070 2.9759 2.9774 3.1976 3.1981 3.3457 3.3466 8.1574 8.2605 9.8663 9.9466 10.4577 10.5045 10.9363 10.9805 12.2086 12.2475 k = 0.0500-0.0189-0.0084 ( 4059 PWs) bands (ev): -16.3633 -16.3630 -15.0055 -15.0035 -14.3677 -14.3660 -13.7837 -13.7833 -13.7113 -13.7095 -13.3277 -13.3253 -5.2517 -5.2503 -4.5454 -4.5443 -3.4533 -3.4512 -2.7610 -2.7344 -2.6948 -2.6748 -1.1959 -1.1655 -0.2866 -0.2785 0.0426 0.1050 0.3123 0.3382 1.1508 1.1848 1.4658 1.5360 1.8651 1.8783 2.2377 2.2549 2.3401 2.3548 2.4464 2.4513 2.8026 2.8053 2.9765 2.9785 3.1967 3.1973 3.3461 3.3472 8.1385 8.2753 9.8459 9.9525 10.4494 10.5093 10.9486 11.0028 12.2026 12.2536 k = 0.0625-0.0236-0.0104 ( 4063 PWs) bands (ev): -16.3592 -16.3588 -15.0058 -15.0033 -14.3672 -14.3651 -13.7875 -13.7870 -13.7125 -13.7103 -13.3304 -13.3275 -5.2538 -5.2520 -4.5557 -4.5542 -3.4475 -3.4447 -2.7587 -2.7314 -2.6799 -2.6600 -1.2064 -1.1688 -0.2974 -0.2860 0.0297 0.1017 0.3138 0.3429 1.1518 1.1904 1.4647 1.5466 1.8428 1.8593 2.2503 2.2660 2.3488 2.3692 2.4530 2.4605 2.7998 2.8030 2.9773 2.9798 3.1954 3.1962 3.3466 3.3480 8.1192 8.2894 9.8239 9.9563 10.4423 10.5142 10.9660 11.0273 12.1967 12.2593 k = 0.0750-0.0283-0.0125 ( 4070 PWs) bands (ev): -16.3542 -16.3537 -15.0060 -15.0030 -14.3666 -14.3641 -13.7921 -13.7916 -13.7137 -13.7113 -13.3336 -13.3301 -5.2565 -5.2543 -4.5676 -4.5656 -3.4404 -3.4369 -2.7561 -2.7297 -2.6609 -2.6422 -1.2181 -1.1735 -0.3103 -0.2952 0.0176 0.0964 0.3164 0.3473 1.1527 1.1934 1.4670 1.5567 1.8193 1.8401 2.2628 2.2767 2.3582 2.3833 2.4623 2.4738 2.7966 2.8003 2.9785 2.9814 3.1938 3.1946 3.3475 3.3492 8.0998 8.3028 9.8005 9.9581 10.4367 10.5200 10.9876 11.0533 12.1911 12.2645 k = 0.0875-0.0330-0.0146 ( 4074 PWs) bands (ev): -16.3483 -16.3477 -15.0063 -15.0029 -14.3659 -14.3630 -13.7976 -13.7970 -13.7150 -13.7124 -13.3373 -13.3332 -5.2601 -5.2575 -4.5806 -4.5781 -3.4319 -3.4276 -2.7535 -2.7285 -2.6388 -2.6214 -1.2308 -1.1796 -0.3252 -0.3059 0.0066 0.0898 0.3197 0.3514 1.1528 1.1930 1.4727 1.5658 1.7958 1.8216 2.2746 2.2875 2.3674 2.3956 2.4747 2.4916 2.7935 2.7974 2.9799 2.9833 3.1917 3.1926 3.3487 3.3506 8.0804 8.3154 9.7759 9.9581 10.4326 10.5275 11.0126 11.0804 12.1856 12.2690 k = 0.1000-0.0377-0.0167 ( 4071 PWs) bands (ev): -16.3415 -16.3408 -15.0066 -15.0027 -14.3652 -14.3620 -13.8040 -13.8032 -13.7163 -13.7135 -13.3414 -13.3368 -5.2646 -5.2616 -4.5945 -4.5913 -3.4220 -3.4168 -2.7508 -2.7273 -2.6147 -2.5979 -1.2442 -1.1868 -0.3419 -0.3179 -0.0031 0.0823 0.3235 0.3552 1.1512 1.1890 1.4812 1.5735 1.7734 1.8049 2.2850 2.2985 2.3759 2.4056 2.4901 2.5131 2.7907 2.7946 2.9816 2.9856 3.1892 3.1902 3.3503 3.3524 8.0611 8.3273 9.7504 9.9564 10.4303 10.5370 11.0402 11.1080 12.1801 12.2727 k = 0.1125-0.0424-0.0188 ( 4072 PWs) bands (ev): -16.3338 -16.3330 -15.0070 -15.0026 -14.3645 -14.3609 -13.8111 -13.8101 -13.7175 -13.7147 -13.3459 -13.3408 -5.2703 -5.2669 -4.6087 -4.6048 -3.4109 -3.4046 -2.7481 -2.7261 -2.5889 -2.5724 -1.2582 -1.1949 -0.3598 -0.3311 -0.0114 0.0745 0.3276 0.3587 1.1471 1.1816 1.4912 1.5797 1.7531 1.7907 2.2945 2.3095 2.3835 2.4139 2.5081 2.5368 2.7887 2.7925 2.9836 2.9881 3.1864 3.1875 3.3522 3.3547 8.0420 8.3384 9.7245 9.9533 10.4300 10.5490 11.0697 11.1360 12.1746 12.2756 k = 0.1250-0.0472-0.0209 ( 4072 PWs) bands (ev): -16.3253 -16.3245 -15.0074 -15.0025 -14.3639 -14.3600 -13.8190 -13.8177 -13.7188 -13.7159 -13.3508 -13.3452 -5.2773 -5.2735 -4.6228 -4.6183 -3.3985 -3.3911 -2.7454 -2.7248 -2.5621 -2.5453 -1.2724 -1.2037 -0.3787 -0.3453 -0.0184 0.0669 0.3315 0.3618 1.1394 1.1720 1.5009 1.5842 1.7359 1.7797 2.3033 2.3200 2.3903 2.4210 2.5276 2.5606 2.7882 2.7919 2.9858 2.9910 3.1832 3.1845 3.3547 3.3573 8.0234 8.3488 9.6983 9.9490 10.4315 10.5634 11.1004 11.1640 12.1690 12.2777 k = 0.1375-0.0519-0.0230 ( 4070 PWs) bands (ev): -16.3160 -16.3151 -15.0078 -15.0025 -14.3635 -14.3592 -13.8275 -13.8258 -13.7199 -13.7170 -13.3561 -13.3501 -5.2858 -5.2815 -4.6365 -4.6313 -3.3849 -3.3762 -2.7426 -2.7231 -2.5347 -2.5172 -1.2865 -1.2128 -0.3981 -0.3602 -0.0240 0.0596 0.3352 0.3646 1.1274 1.1609 1.5078 1.5875 1.7226 1.7723 2.3116 2.3299 2.3964 2.4275 2.5471 2.5822 2.7898 2.7946 2.9883 2.9942 3.1799 3.1815 3.3575 3.3604 8.0054 8.3584 9.6722 9.9438 10.4350 10.5801 11.1319 11.1920 12.1633 12.2789 k = 0.1500-0.0566-0.0251 ( 4073 PWs) bands (ev): -16.3059 -16.3049 -15.0083 -15.0026 -14.3632 -14.3587 -13.8364 -13.8344 -13.7211 -13.7181 -13.3617 -13.3552 -5.2957 -5.2910 -4.6495 -4.6436 -3.3701 -3.3601 -2.7397 -2.7213 -2.5071 -2.4888 -1.3000 -1.2219 -0.4175 -0.3756 -0.0286 0.0529 0.3384 0.3670 1.1112 1.1487 1.5105 1.5900 1.7137 1.7684 2.3194 2.3390 2.4021 2.4336 2.5649 2.5995 2.7940 2.8026 2.9910 2.9977 3.1766 3.1786 3.3608 3.3638 7.9882 8.3673 9.6464 9.9379 10.4404 10.5991 11.1639 11.2197 12.1572 12.2793 k = 0.1625-0.0613-0.0272 ( 4072 PWs) bands (ev): -16.2951 -16.2940 -15.0089 -15.0028 -14.3633 -14.3584 -13.8458 -13.8434 -13.7221 -13.7192 -13.3677 -13.3608 -5.3073 -5.3022 -4.6615 -4.6549 -3.3543 -3.3429 -2.7366 -2.7190 -2.4797 -2.4606 -1.3125 -1.2306 -0.4367 -0.3913 -0.0322 0.0468 0.3410 0.3690 1.0916 1.1349 1.5088 1.5911 1.7099 1.7672 2.3267 2.3474 2.4074 2.4394 2.5794 2.6107 2.8025 2.8169 2.9939 3.0017 3.1735 3.1761 3.3645 3.3677 7.9720 8.3754 9.6213 9.9314 10.4475 10.6199 11.1960 11.2474 12.1508 12.2788 k = 0.1750-0.0660-0.0292 ( 4070 PWs) bands (ev): -16.2835 -16.2824 -15.0095 -15.0031 -14.3637 -14.3586 -13.8553 -13.8526 -13.7232 -13.7203 -13.3738 -13.3666 -5.3206 -5.3150 -4.6722 -4.6650 -3.3376 -3.3247 -2.7333 -2.7164 -2.4530 -2.4331 -1.3236 -1.2383 -0.4554 -0.4071 -0.0350 0.0414 0.3428 0.3707 1.0695 1.1190 1.5038 1.5898 1.7109 1.7679 2.3337 2.3551 2.4123 2.4448 2.5892 2.6154 2.8164 2.8373 2.9969 3.0062 3.1709 3.1745 3.3687 3.3719 7.9568 8.3828 9.5970 9.9246 10.4564 10.6423 11.2281 11.2748 12.1440 12.2775 k = 0.1875-0.0707-0.0313 ( 4065 PWs) bands (ev): -16.2713 -16.2701 -15.0103 -15.0035 -14.3645 -14.3592 -13.8650 -13.8619 -13.7242 -13.7213 -13.3803 -13.3726 -5.3353 -5.3294 -4.6816 -4.6738 -3.3201 -3.3057 -2.7296 -2.7134 -2.4275 -2.4070 -1.3327 -1.2447 -0.4732 -0.4228 -0.0372 0.0367 0.3436 0.3721 1.0458 1.1010 1.4972 1.5857 1.7156 1.7694 2.3405 2.3623 2.4167 2.4497 2.5937 2.6144 2.8358 2.8623 3.0002 3.0113 3.1690 3.1741 3.3732 3.3765 7.9429 8.3893 9.5737 9.9176 10.4667 10.6659 11.2598 11.3020 12.1368 12.2755 k = 0.2000-0.0755-0.0334 ( 4065 PWs) bands (ev): -16.2584 -16.2572 -15.0112 -15.0041 -14.3659 -14.3604 -13.8745 -13.8711 -13.7251 -13.7222 -13.3869 -13.3789 -5.3516 -5.3453 -4.6896 -4.6812 -3.3020 -3.2861 -2.7255 -2.7100 -2.4037 -2.3825 -1.3394 -1.2492 -0.4902 -0.4382 -0.0389 0.0326 0.3434 0.3732 1.0209 1.0809 1.4901 1.5794 1.7221 1.7709 2.3469 2.3690 2.4204 2.4538 2.5935 2.6093 2.8599 2.8894 3.0038 3.0173 3.1683 3.1757 3.3782 3.3815 7.9304 8.3950 9.5516 9.9104 10.4782 10.6905 11.2912 11.3291 12.1292 12.2728 k = 0.2125-0.0802-0.0355 ( 4068 PWs) bands (ev): -16.2450 -16.2437 -15.0123 -15.0048 -14.3679 -14.3622 -13.8838 -13.8802 -13.7261 -13.7231 -13.3937 -13.3855 -5.3692 -5.3625 -4.6961 -4.6874 -3.2836 -3.2662 -2.7210 -2.7060 -2.3818 -2.3600 -1.3431 -1.2515 -0.5060 -0.4532 -0.0404 0.0291 0.3422 0.3740 0.9953 1.0589 1.4833 1.5717 1.7285 1.7717 2.3533 2.3753 2.4231 2.4568 2.5894 2.6018 2.8869 2.9163 3.0078 3.0250 3.1691 3.1799 3.3836 3.3869 7.9194 8.3998 9.5309 9.9030 10.4909 10.7155 11.3219 11.3561 12.1212 12.2693 k = 0.2250-0.0849-0.0376 ( 4070 PWs) bands (ev): -16.2310 -16.2297 -15.0135 -15.0057 -14.3705 -14.3646 -13.8927 -13.8888 -13.7270 -13.7240 -13.4006 -13.3922 -5.3879 -5.3810 -4.7013 -4.6922 -3.2649 -3.2461 -2.7160 -2.7014 -2.3623 -2.3399 -1.3436 -1.2510 -0.5208 -0.4678 -0.0416 0.0261 0.3398 0.3744 0.9693 1.0355 1.4772 1.5632 1.7335 1.7716 2.3596 2.3812 2.4245 2.4583 2.5824 2.5935 2.9145 2.9404 3.0129 3.0348 3.1719 3.1876 3.3895 3.3929 7.9100 8.4037 9.5116 9.8956 10.5044 10.7408 11.3521 11.3829 12.1128 12.2652 k = 0.2375-0.0896-0.0397 ( 4074 PWs) bands (ev): -16.2165 -16.2152 -15.0148 -15.0069 -14.3738 -14.3679 -13.9011 -13.8970 -13.7279 -13.7249 -13.4077 -13.3990 -5.4076 -5.4004 -4.7051 -4.6958 -3.2464 -3.2262 -2.7103 -2.6962 -2.3452 -2.3222 -1.3405 -1.2476 -0.5344 -0.4819 -0.0428 0.0236 0.3365 0.3745 0.9434 1.0109 1.4717 1.5543 1.7359 1.7703 2.3659 2.3864 2.4246 2.4581 2.5736 2.5855 2.9396 2.9600 3.0204 3.0469 3.1772 3.1998 3.3959 3.3995 7.9024 8.4065 9.4940 9.8879 10.5186 10.7658 11.3814 11.4096 12.1041 12.2604 k = 0.2500-0.0943-0.0418 ( 4074 PWs) bands (ev): -16.2016 -16.2002 -15.0164 -15.0082 -14.3779 -14.3719 -13.9088 -13.9046 -13.7287 -13.7257 -13.4148 -13.4060 -5.4279 -5.4205 -4.7078 -4.6983 -3.2282 -3.2068 -2.7040 -2.6904 -2.3306 -2.3070 -1.3336 -1.2410 -0.5469 -0.4954 -0.0440 0.0214 0.3323 0.3741 0.9178 0.9857 1.4670 1.5453 1.7349 1.7679 2.3721 2.3902 2.4236 2.4561 2.5644 2.5784 2.9586 2.9746 3.0320 3.0603 3.1859 3.2169 3.4030 3.4071 7.8966 8.4083 9.4782 9.8801 10.5332 10.7903 11.4099 11.4361 12.0952 12.2549 k = 0.2625-0.0990-0.0439 ( 4077 PWs) bands (ev): -16.1864 -16.1850 -15.0182 -15.0098 -14.3828 -14.3767 -13.9157 -13.9114 -13.7296 -13.7265 -13.4220 -13.4130 -5.4487 -5.4412 -4.7095 -4.6999 -3.2106 -3.1881 -2.6970 -2.6840 -2.3185 -2.2943 -1.3230 -1.2313 -0.5582 -0.5083 -0.0454 0.0195 0.3271 0.3732 0.8926 0.9601 1.4628 1.5363 1.7301 1.7642 2.3778 2.3915 2.4222 2.4528 2.5558 2.5724 2.9705 2.9843 3.0482 3.0735 3.1987 3.2386 3.4109 3.4161 7.8926 8.4088 9.4641 9.8719 10.5482 10.8138 11.4375 11.4622 12.0862 12.2487 k = 0.2750-0.1037-0.0460 ( 4080 PWs) bands (ev): -16.1709 -16.1695 -15.0202 -15.0117 -14.3884 -14.3823 -13.9218 -13.9175 -13.7304 -13.7273 -13.4291 -13.4201 -5.4697 -5.4621 -4.7103 -4.7007 -3.1939 -3.1706 -2.6893 -2.6769 -2.3086 -2.2836 -1.3086 -1.2185 -0.5684 -0.5206 -0.0468 0.0178 0.3212 0.3718 0.8681 0.9346 1.4589 1.5274 1.7216 1.7590 2.3813 2.3904 2.4208 2.4499 2.5486 2.5676 2.9776 2.9899 3.0660 3.0853 3.2162 3.2635 3.4199 3.4271 7.8905 8.4081 9.4521 9.8634 10.5634 10.8361 11.4641 11.4880 12.0771 12.2418 k = 0.2875-0.1085-0.0480 ( 4076 PWs) bands (ev): -16.1552 -16.1537 -15.0224 -15.0138 -14.3947 -14.3886 -13.9270 -13.9227 -13.7312 -13.7281 -13.4363 -13.4272 -5.4907 -5.4831 -4.7104 -4.7009 -3.1783 -3.1544 -2.6810 -2.6692 -2.3004 -2.2749 -1.2907 -1.2030 -0.5776 -0.5324 -0.0484 0.0163 0.3147 0.3699 0.8445 0.9093 1.4551 1.5185 1.7097 1.7522 2.3777 2.3906 2.4186 2.4495 2.5430 2.5639 2.9818 2.9929 3.0821 3.0956 3.2380 3.2896 3.4302 3.4407 7.8903 8.4059 9.4421 9.8545 10.5786 10.8567 11.4898 11.5132 12.0681 12.2342 k = 0.3000-0.1132-0.0501 ( 4078 PWs) bands (ev): -16.1394 -16.1379 -15.0248 -15.0163 -14.4016 -14.3956 -13.9314 -13.9271 -13.7319 -13.7288 -13.4433 -13.4343 -5.5115 -5.5039 -4.7098 -4.7004 -3.1640 -3.1398 -2.6722 -2.6610 -2.2936 -2.2675 -1.2698 -1.1849 -0.5857 -0.5436 -0.0501 0.0148 0.3076 0.3674 0.8220 0.8847 1.4510 1.5097 1.6952 1.7434 2.3686 2.3890 2.4177 2.4525 2.5388 2.5612 2.9844 2.9946 3.0952 3.1047 3.2629 3.3145 3.4425 3.4579 7.8921 8.4022 9.4343 9.8451 10.5938 10.8754 11.5144 11.5378 12.0594 12.2258 k = 0.3125-0.1179-0.0522 ( 4083 PWs) bands (ev): -16.1236 -16.1221 -15.0275 -15.0190 -14.4091 -14.4032 -13.9348 -13.9306 -13.7327 -13.7296 -13.4503 -13.4413 -5.5319 -5.5244 -4.7087 -4.6996 -3.1513 -3.1270 -2.6630 -2.6525 -2.2876 -2.2611 -1.2461 -1.1648 -0.5930 -0.5544 -0.0519 0.0134 0.3001 0.3643 0.8006 0.8609 1.4464 1.5009 1.6784 1.7329 2.3574 2.3817 2.4204 2.4576 2.5359 2.5592 2.9859 2.9954 3.1056 3.1128 3.2886 3.3364 3.4574 3.4791 7.8958 8.3969 9.4287 9.8351 10.6089 10.8918 11.5379 11.5616 12.0509 12.2167 k = 0.3250-0.1226-0.0543 ( 4090 PWs) bands (ev): -16.1079 -16.1065 -15.0304 -15.0219 -14.4170 -14.4112 -13.9373 -13.9333 -13.7334 -13.7303 -13.4571 -13.4482 -5.5517 -5.5443 -4.7073 -4.6984 -3.1400 -3.1161 -2.6536 -2.6439 -2.2819 -2.2551 -1.2203 -1.1430 -0.5995 -0.5647 -0.0536 0.0119 0.2922 0.3605 0.7806 0.8381 1.4409 1.4920 1.6603 1.7208 2.3453 2.3708 2.4257 2.4637 2.5338 2.5578 2.9868 2.9956 3.1138 3.1202 3.3131 3.3547 3.4754 3.5042 7.9013 8.3899 9.4254 9.8244 10.6239 10.9057 11.5604 11.5845 12.0427 12.2069 k = 0.3375-0.1273-0.0564 ( 4093 PWs) bands (ev): -16.0925 -16.0910 -15.0334 -15.0252 -14.4252 -14.4195 -13.9391 -13.9352 -13.7340 -13.7309 -13.4636 -13.4550 -5.5707 -5.5635 -4.7056 -4.6970 -3.1304 -3.1070 -2.6445 -2.6354 -2.2760 -2.2493 -1.1927 -1.1202 -0.6052 -0.5745 -0.0552 0.0106 0.2841 0.3560 0.7619 0.8165 1.4342 1.4828 1.6416 1.7075 2.3330 2.3585 2.4318 2.4700 2.5326 2.5569 2.9873 2.9956 3.1207 3.1267 3.3350 3.3693 3.4970 3.5322 7.9088 8.3812 9.4244 9.8130 10.6387 10.9170 11.5816 11.6065 12.0351 12.1965 k = 0.3500-0.1320-0.0585 ( 4087 PWs) bands (ev): -16.0773 -16.0759 -15.0367 -15.0287 -14.4335 -14.4280 -13.9401 -13.9364 -13.7347 -13.7316 -13.4699 -13.4616 -5.5887 -5.5818 -4.7036 -4.6955 -3.1224 -3.0999 -2.6357 -2.6272 -2.2695 -2.2431 -1.1641 -1.0968 -0.6105 -0.5840 -0.0564 0.0093 0.2759 0.3508 0.7448 0.7962 1.4261 1.4727 1.6234 1.6934 2.3210 2.3460 2.4382 2.4759 2.5321 2.5563 2.9876 2.9954 3.1266 3.1325 3.3534 3.3812 3.5219 3.5618 7.9180 8.3708 9.4258 9.8008 10.6533 10.9254 11.6018 11.6276 12.0280 12.1854 k = 0.3625-0.1368-0.0606 ( 4085 PWs) bands (ev): -16.0626 -16.0612 -15.0401 -15.0323 -14.4417 -14.4365 -13.9405 -13.9370 -13.7352 -13.7323 -13.4760 -13.4680 -5.6057 -5.5992 -4.7016 -4.6939 -3.1159 -3.0945 -2.6275 -2.6197 -2.2621 -2.2365 -1.1348 -1.0732 -0.6155 -0.5929 -0.0571 0.0081 0.2677 0.3448 0.7293 0.7773 1.4164 1.4612 1.6066 1.6790 2.3097 2.3338 2.4443 2.4812 2.5324 2.5560 2.9877 2.9950 3.1318 3.1375 3.3686 3.3909 3.5491 3.5917 7.9291 8.3585 9.4296 9.7877 10.6679 10.9309 11.6207 11.6476 12.0215 12.1737 k = 0.3750-0.1415-0.0627 ( 4083 PWs) bands (ev): -16.0485 -16.0472 -15.0435 -15.0362 -14.4498 -14.4449 -13.9404 -13.9371 -13.7358 -13.7329 -13.4816 -13.4740 -5.6216 -5.6154 -4.6995 -4.6923 -3.1107 -3.0906 -2.6202 -2.6129 -2.2539 -2.2293 -1.1054 -1.0499 -0.6205 -0.6012 -0.0572 0.0071 0.2595 0.3380 0.7155 0.7599 1.4054 1.4479 1.5923 1.6648 2.2993 2.3222 2.4501 2.4854 2.5335 2.5560 2.9877 2.9945 3.1365 3.1419 3.3810 3.3990 3.5776 3.6209 7.9418 8.3445 9.4356 9.7737 10.6824 10.9334 11.6386 11.6665 12.0157 12.1614 k = 0.3875-0.1462-0.0648 ( 4083 PWs) bands (ev): -16.0351 -16.0339 -15.0470 -15.0401 -14.4575 -14.4529 -13.9399 -13.9369 -13.7362 -13.7335 -13.4869 -13.4798 -5.6361 -5.6304 -4.6973 -4.6908 -3.1067 -3.0882 -2.6137 -2.6071 -2.2447 -2.2215 -1.0765 -1.0272 -0.6257 -0.6087 -0.0564 0.0064 0.2516 0.3302 0.7034 0.7440 1.3933 1.4325 1.5811 1.6512 2.2899 2.3114 2.4555 2.4884 2.5355 2.5563 2.9876 2.9940 3.1406 3.1456 3.3912 3.4059 3.6062 3.6486 7.9561 8.3288 9.4439 9.7588 10.6969 10.9330 11.6553 11.6842 12.0106 12.1487 k = 0.4000-0.1509-0.0668 ( 4086 PWs) bands (ev): -16.0226 -16.0214 -15.0504 -15.0440 -14.4648 -14.4605 -13.9390 -13.9363 -13.7367 -13.7341 -13.4917 -13.4852 -5.6494 -5.6442 -4.6953 -4.6893 -3.1038 -3.0869 -2.6083 -2.6022 -2.2348 -2.2134 -1.0487 -1.0056 -0.6315 -0.6154 -0.0548 0.0059 0.2442 0.3215 0.6930 0.7297 1.3804 1.4156 1.5729 1.6383 2.2816 2.3014 2.4602 2.4902 2.5381 2.5567 2.9876 2.9934 3.1443 3.1488 3.3998 3.4119 3.6340 3.6742 7.9719 8.3116 9.4542 9.7429 10.7115 10.9299 11.6709 11.7006 12.0065 12.1355 k = 0.4125-0.1556-0.0689 ( 4083 PWs) bands (ev): -16.0111 -16.0101 -15.0536 -15.0478 -14.4714 -14.4676 -13.9380 -13.9355 -13.7370 -13.7347 -13.4961 -13.4901 -5.6612 -5.6565 -4.6933 -4.6880 -3.1016 -3.0865 -2.6037 -2.5983 -2.2245 -2.2052 -1.0223 -0.9853 -0.6378 -0.6214 -0.0521 0.0057 0.2374 0.3119 0.6845 0.7169 1.3673 1.3977 1.5676 1.6265 2.2746 2.2924 2.4645 2.4910 2.5412 2.5573 2.9876 2.9928 3.1474 3.1515 3.4070 3.4170 3.6603 3.6973 7.9892 8.2930 9.4666 9.7261 10.7263 10.9242 11.6855 11.7154 12.0035 12.1219 k = 0.4250-0.1603-0.0710 ( 4087 PWs) bands (ev): -16.0008 -15.9998 -15.0566 -15.0515 -14.4774 -14.4740 -13.9368 -13.9347 -13.7373 -13.7352 -13.4999 -13.4946 -5.6714 -5.6674 -4.6915 -4.6869 -3.1000 -3.0869 -2.6000 -2.5953 -2.2142 -2.1973 -0.9979 -0.9667 -0.6440 -0.6269 -0.0483 0.0055 0.2316 0.3015 0.6776 0.7057 1.3545 1.3799 1.5645 1.6159 2.2687 2.2844 2.4682 2.4910 2.5446 2.5580 2.9876 2.9922 3.1502 3.1538 3.4131 3.4213 3.6844 3.7175 8.0077 8.2731 9.4807 9.7085 10.7413 10.9161 11.6991 11.7283 12.0018 12.1081 k = 0.4375-0.1651-0.0731 ( 4086 PWs) bands (ev): -15.9918 -15.9909 -15.0593 -15.0549 -14.4825 -14.4796 -13.9356 -13.9338 -13.7375 -13.7357 -13.5031 -13.4986 -5.6802 -5.6767 -4.6898 -4.6859 -3.0988 -3.0877 -2.5971 -2.5931 -2.2044 -2.1900 -0.9760 -0.9501 -0.6497 -0.6324 -0.0435 0.0050 0.2272 0.2905 0.6724 0.6961 1.3425 1.3630 1.5632 1.6064 2.2639 2.2774 2.4715 2.4904 2.5478 2.5587 2.9876 2.9916 3.1525 3.1555 3.4183 3.4248 3.7061 3.7345 8.0274 8.2521 9.4963 9.6901 10.7565 10.9060 11.7116 11.7391 12.0017 12.0942 k = 0.4500-0.1698-0.0752 ( 4086 PWs) bands (ev): -15.9842 -15.9835 -15.0615 -15.0580 -14.4867 -14.4843 -13.9345 -13.9330 -13.7377 -13.7362 -13.5057 -13.5020 -5.6873 -5.6845 -4.6883 -4.6852 -3.0979 -3.0889 -2.5947 -2.5916 -2.1954 -2.1837 -0.9570 -0.9361 -0.6545 -0.6379 -0.0378 0.0040 0.2246 0.2791 0.6688 0.6879 1.3321 1.3479 1.5634 1.5979 2.2604 2.2714 2.4744 2.4894 2.5509 2.5593 2.9878 2.9910 3.1545 3.1569 3.4225 3.4276 3.7248 3.7481 8.0481 8.2302 9.5134 9.6710 10.7721 10.8942 11.7230 11.7474 12.0035 12.0804 k = 0.4625-0.1745-0.0773 ( 4088 PWs) bands (ev): -15.9781 -15.9776 -15.0633 -15.0606 -14.4900 -14.4882 -13.9335 -13.9324 -13.7377 -13.7366 -13.5076 -13.5048 -5.6928 -5.6907 -4.6871 -4.6847 -3.0970 -3.0903 -2.5930 -2.5906 -2.1876 -2.1787 -0.9411 -0.9251 -0.6578 -0.6434 -0.0314 0.0020 0.2242 0.2677 0.6666 0.6810 1.3236 1.3352 1.5646 1.5906 2.2580 2.2663 2.4769 2.4881 2.5535 2.5597 2.9880 2.9904 3.1560 3.1579 3.4259 3.4297 3.7403 3.7581 8.0697 8.2077 9.5316 9.6513 10.7878 10.8809 11.7330 11.7530 12.0072 12.0668 k = 0.4750-0.1792-0.0794 ( 4083 PWs) bands (ev): -15.9737 -15.9733 -15.0644 -15.0626 -14.4923 -14.4911 -13.9327 -13.9319 -13.7377 -13.7369 -13.5088 -13.5069 -5.6967 -5.6952 -4.6860 -4.6844 -3.0962 -3.0917 -2.5916 -2.5900 -2.1813 -2.1754 -0.9286 -0.9177 -0.6594 -0.6486 -0.0245 -0.0012 0.2263 0.2567 0.6659 0.6755 1.3178 1.3253 1.5669 1.5842 2.2567 2.2623 2.4792 2.4866 2.5558 2.5598 2.9882 2.9899 3.1572 3.1584 3.4285 3.4310 3.7525 3.7645 8.0920 8.1847 9.5506 9.6312 10.8038 10.8666 11.7416 11.7558 12.0130 12.0538 k = 0.4875-0.1839-0.0815 ( 4082 PWs) bands (ev): -15.9709 -15.9708 -15.0650 -15.0640 -14.4935 -14.4929 -13.9321 -13.9317 -13.7376 -13.7372 -13.5094 -13.5084 -5.6988 -5.6981 -4.6853 -4.6845 -3.0953 -3.0930 -2.5907 -2.5899 -2.1769 -2.1739 -0.9198 -0.9142 -0.6591 -0.6533 -0.0177 -0.0057 0.2309 0.2465 0.6664 0.6713 1.3148 1.3185 1.5700 1.5786 2.2565 2.2594 2.4813 2.4850 2.5575 2.5594 2.9886 2.9894 3.1580 3.1587 3.4303 3.4316 3.7610 3.7671 8.1149 8.1614 9.5704 9.6109 10.8198 10.8514 11.7485 11.7559 12.0209 12.0416 k = 0.5000-0.1886-0.0836 ( 4090 PWs) bands (ev): -15.9700 -15.9700 -15.0648 -15.0648 -14.4938 -14.4938 -13.9318 -13.9318 -13.7375 -13.7375 -13.5093 -13.5093 -5.6993 -5.6993 -4.6847 -4.6847 -3.0942 -3.0942 -2.5901 -2.5901 -2.1744 -2.1744 -0.9150 -0.9150 -0.6569 -0.6569 -0.0113 -0.0113 0.2378 0.2378 0.6682 0.6682 1.3150 1.3150 1.5739 1.5739 2.2574 2.2574 2.4832 2.4832 2.5587 2.5587 2.9889 2.9889 3.1585 3.1585 3.4313 3.4313 3.7659 3.7659 8.1381 8.1381 9.5905 9.5905 10.8358 10.8358 11.7534 11.7534 12.0305 12.0305 k = 0.5000-0.1886 0.2632 ( 4080 PWs) bands (ev): -15.9252 -15.9252 -15.0424 -15.0424 -14.6990 -14.6990 -13.9045 -13.9045 -13.6885 -13.6885 -13.4340 -13.4340 -5.9240 -5.9240 -4.2776 -4.2776 -2.7959 -2.7959 -2.7393 -2.7393 -2.4062 -2.4062 -1.2522 -1.2522 -0.6119 -0.6119 0.0564 0.0564 0.2457 0.2457 0.5110 0.5110 1.1911 1.1911 1.9532 1.9532 2.2054 2.2054 2.3699 2.3699 2.6968 2.6968 3.1036 3.1036 3.2276 3.2276 3.4059 3.4059 3.6096 3.6096 8.2110 8.2110 9.6799 9.6799 11.0316 11.0316 11.6382 11.6382 11.8659 11.8659 k = 0.4886-0.1843 0.2572 ( 4081 PWs) bands (ev): -15.9260 -15.9258 -15.0438 -15.0429 -14.6976 -14.6963 -13.9048 -13.9044 -13.6887 -13.6884 -13.4342 -13.4339 -5.9235 -5.9226 -4.2787 -4.2781 -2.8014 -2.7949 -2.7428 -2.7350 -2.4062 -2.4025 -1.2545 -1.2505 -0.6165 -0.6070 0.0384 0.0630 0.2395 0.2602 0.5098 0.5152 1.1891 1.1952 1.9524 1.9545 2.2040 2.2078 2.3686 2.3702 2.6969 2.6987 3.1014 3.1043 3.2260 3.2270 3.4054 3.4062 3.6064 3.6119 8.1969 8.2241 9.6722 9.6868 11.0245 11.0369 11.6367 11.6393 11.8654 11.8682 k = 0.4773-0.1801 0.2513 ( 4080 PWs) bands (ev): -15.9283 -15.9278 -15.0471 -15.0453 -14.6921 -14.6897 -13.9055 -13.9047 -13.6890 -13.6885 -13.4343 -13.4337 -5.9210 -5.9193 -4.2814 -4.2803 -2.8106 -2.7991 -2.7445 -2.7308 -2.4024 -2.3953 -1.2574 -1.2493 -0.6210 -0.6020 0.0127 0.0568 0.2425 0.2796 0.5117 0.5223 1.1891 1.2014 1.9523 1.9563 2.2034 2.2109 2.3664 2.3696 2.6989 2.7024 3.0977 3.1035 3.2223 3.2241 3.4047 3.4063 3.6024 3.6134 8.1818 8.2360 9.6637 9.6928 11.0154 11.0403 11.6348 11.6400 11.8668 11.8723 k = 0.4659-0.1758 0.2453 ( 4081 PWs) bands (ev): -15.9319 -15.9312 -15.0520 -15.0493 -14.6829 -14.6794 -13.9064 -13.9053 -13.6894 -13.6886 -13.4344 -13.4335 -5.9166 -5.9140 -4.2858 -4.2841 -2.8226 -2.8078 -2.7448 -2.7274 -2.3950 -2.3851 -1.2611 -1.2486 -0.6250 -0.5966 -0.0172 0.0404 0.2518 0.3009 0.5167 0.5324 1.1913 1.2096 1.9528 1.9587 2.2036 2.2149 2.3633 2.3682 2.7026 2.7077 3.0926 3.1012 3.2164 3.2189 3.4039 3.4061 3.5976 3.6138 8.1660 8.2467 9.6545 9.6980 11.0046 11.0418 11.6326 11.6401 11.8701 11.8780 k = 0.4545-0.1715 0.2393 ( 4084 PWs) bands (ev): -15.9370 -15.9360 -15.0580 -15.0547 -14.6702 -14.6659 -13.9077 -13.9061 -13.6900 -13.6890 -13.4344 -13.4332 -5.9102 -5.9068 -4.2917 -4.2895 -2.8369 -2.8199 -2.7443 -2.7248 -2.3846 -2.3726 -1.2655 -1.2484 -0.6286 -0.5909 -0.0491 0.0180 0.2633 0.3220 0.5247 0.5452 1.1956 1.2200 1.9542 1.9617 2.2044 2.2194 2.3596 2.3662 2.7080 2.7144 3.0861 3.0974 3.2084 3.2116 3.4029 3.4057 3.5922 3.6133 8.1494 8.2561 9.6447 9.7024 10.9919 11.0415 11.6300 11.6396 11.8751 11.8853 k = 0.4432-0.1672 0.2333 ( 4079 PWs) bands (ev): -15.9433 -15.9421 -15.0648 -15.0610 -14.6547 -14.6496 -13.9093 -13.9074 -13.6906 -13.6894 -13.4344 -13.4329 -5.9019 -5.8977 -4.2991 -4.2964 -2.8529 -2.8343 -2.7437 -2.7232 -2.3717 -2.3581 -1.2708 -1.2488 -0.6315 -0.5845 -0.0817 -0.0073 0.2741 0.3413 0.5357 0.5601 1.2022 1.2324 1.9563 1.9652 2.2058 2.2245 2.3554 2.3638 2.7147 2.7222 3.0785 3.0923 3.1985 3.2021 3.4018 3.4050 3.5863 3.6117 8.1323 8.2641 9.6345 9.7062 10.9775 11.0394 11.6271 11.6386 11.8816 11.8940 k = 0.4318-0.1629 0.2273 ( 4073 PWs) bands (ev): -15.9509 -15.9495 -15.0720 -15.0678 -14.6367 -14.6310 -13.9112 -13.9089 -13.6915 -13.6900 -13.4342 -13.4325 -5.8917 -5.8867 -4.3079 -4.3049 -2.8702 -2.8505 -2.7433 -2.7223 -2.3569 -2.3425 -1.2771 -1.2497 -0.6334 -0.5774 -0.1139 -0.0337 0.2832 0.3582 0.5492 0.5766 1.2112 1.2470 1.9593 1.9694 2.2074 2.2297 2.3509 2.3613 2.7224 2.7307 3.0698 3.0861 3.1867 3.1907 3.4005 3.4040 3.5799 3.6092 8.1147 8.2707 9.6240 9.7095 10.9615 11.0355 11.6238 11.6368 11.8896 11.9038 k = 0.4205-0.1586 0.2213 ( 4065 PWs) bands (ev): -15.9597 -15.9581 -15.0793 -15.0749 -14.6166 -14.6106 -13.9133 -13.9107 -13.6924 -13.6908 -13.4339 -13.4319 -5.8797 -5.8739 -4.3181 -4.3147 -2.8885 -2.8679 -2.7431 -2.7220 -2.3408 -2.3261 -1.2843 -1.2513 -0.6341 -0.5693 -0.1452 -0.0599 0.2901 0.3723 0.5646 0.5941 1.2226 1.2635 1.9632 1.9743 2.2091 2.2349 2.3464 2.3590 2.7306 2.7395 3.0603 3.0787 3.1733 3.1774 3.3990 3.4027 3.5730 3.6056 8.0969 8.2760 9.6134 9.7125 10.9439 11.0298 11.6200 11.6343 11.8988 11.9146 k = 0.4091-0.1543 0.2154 ( 4063 PWs) bands (ev): -15.9697 -15.9679 -15.0863 -15.0818 -14.5949 -14.5886 -13.9158 -13.9128 -13.6935 -13.6918 -13.4335 -13.4312 -5.8659 -5.8594 -4.3296 -4.3259 -2.9074 -2.8862 -2.7434 -2.7222 -2.3242 -2.3095 -1.2926 -1.2535 -0.6333 -0.5600 -0.1750 -0.0854 0.2950 0.3837 0.5810 0.6119 1.2365 1.2819 1.9679 1.9799 2.2107 2.2396 2.3424 2.3572 2.7389 2.7483 3.0501 3.0706 3.1584 3.1627 3.3972 3.4010 3.5658 3.6011 8.0788 8.2799 9.6029 9.7152 10.9249 11.0224 11.6157 11.6310 11.9091 11.9262 k = 0.3977-0.1500 0.2094 ( 4063 PWs) bands (ev): -15.9807 -15.9787 -15.0930 -15.0883 -14.5720 -14.5655 -13.9185 -13.9153 -13.6948 -13.6930 -13.4327 -13.4303 -5.8504 -5.8432 -4.3422 -4.3383 -2.9268 -2.9052 -2.7440 -2.7229 -2.3075 -2.2932 -1.3018 -1.2564 -0.6309 -0.5492 -0.2030 -0.1095 0.2980 0.3926 0.5976 0.6296 1.2528 1.3020 1.9732 1.9862 2.2119 2.2435 2.3392 2.3562 2.7467 2.7564 3.0395 3.0618 3.1423 3.1469 3.3950 3.3989 3.5584 3.5956 8.0608 8.2825 9.5927 9.7179 10.9045 11.0133 11.6107 11.6268 11.9202 11.9384 k = 0.3864-0.1458 0.2034 ( 4064 PWs) bands (ev): -15.9927 -15.9904 -15.0991 -15.0943 -14.5482 -14.5416 -13.9215 -13.9180 -13.6962 -13.6943 -13.4318 -13.4291 -5.8332 -5.8254 -4.3559 -4.3519 -2.9465 -2.9248 -2.7450 -2.7238 -2.2913 -2.2775 -1.3118 -1.2600 -0.6265 -0.5369 -0.2287 -0.1319 0.2996 0.3994 0.6135 0.6469 1.2713 1.3234 1.9791 1.9933 2.2124 2.2461 2.3375 2.3562 2.7536 2.7635 3.0288 3.0525 3.1253 3.1306 3.3921 3.3962 3.5507 3.5892 8.0429 8.2838 9.5830 9.7207 10.8831 11.0025 11.6050 11.6217 11.9321 11.9510 k = 0.3750-0.1415 0.1974 ( 4067 PWs) bands (ev): -16.0055 -16.0031 -15.1046 -15.0997 -14.5237 -14.5171 -13.9247 -13.9209 -13.6978 -13.6959 -13.4305 -13.4277 -5.8144 -5.8060 -4.3705 -4.3665 -2.9664 -2.9448 -2.7462 -2.7250 -2.2759 -2.2628 -1.3225 -1.2642 -0.6201 -0.5231 -0.2520 -0.1524 0.2999 0.4046 0.6284 0.6635 1.2919 1.3458 1.9850 2.0010 2.2121 2.2469 2.3376 2.3575 2.7589 2.7689 3.0181 3.0431 3.1080 3.1145 3.3884 3.3930 3.5430 3.5820 8.0252 8.2842 9.5740 9.7237 10.8606 10.9900 11.5983 11.6154 11.9445 11.9639 k = 0.3636-0.1372 0.1914 ( 4072 PWs) bands (ev): -16.0191 -16.0166 -15.1093 -15.1044 -14.4988 -14.4924 -13.9280 -13.9241 -13.6995 -13.6976 -13.4290 -13.4259 -5.7940 -5.7851 -4.3860 -4.3819 -2.9866 -2.9651 -2.7478 -2.7265 -2.2619 -2.2496 -1.3335 -1.2689 -0.6116 -0.5077 -0.2725 -0.1707 0.2993 0.4084 0.6419 0.6793 1.3141 1.3690 1.9908 2.0092 2.2109 2.2459 2.3399 2.3602 2.7620 2.7721 3.0078 3.0337 3.0908 3.0991 3.3836 3.3892 3.5353 3.5740 8.0081 8.2835 9.5658 9.7269 10.8373 10.9760 11.5905 11.6080 11.9573 11.9770 k = 0.3523-0.1329 0.1854 ( 4070 PWs) bands (ev): -16.0333 -16.0307 -15.1132 -15.1082 -14.4738 -14.4676 -13.9315 -13.9274 -13.7014 -13.6994 -13.4271 -13.4239 -5.7723 -5.7628 -4.4021 -4.3981 -3.0068 -2.9857 -2.7497 -2.7281 -2.2495 -2.2380 -1.3445 -1.2741 -0.6009 -0.4912 -0.2897 -0.1866 0.2980 0.4109 0.6540 0.6944 1.3377 1.3923 1.9960 2.0176 2.2087 2.2433 2.3443 2.3644 2.7624 2.7725 2.9980 3.0245 3.0746 3.0850 3.3774 3.3845 3.5278 3.5654 7.9916 8.2822 9.5586 9.7306 10.8134 10.9605 11.5816 11.5993 11.9705 11.9902 k = 0.3409-0.1286 0.1795 ( 4064 PWs) bands (ev): -16.0481 -16.0453 -15.1162 -15.1112 -14.4490 -14.4431 -13.9349 -13.9308 -13.7033 -13.7014 -13.4249 -13.4216 -5.7492 -5.7393 -4.4187 -4.4148 -3.0272 -3.0064 -2.7518 -2.7299 -2.2392 -2.2285 -1.3552 -1.2795 -0.5882 -0.4742 -0.3031 -0.2000 0.2961 0.4124 0.6648 0.7089 1.3621 1.4155 2.0002 2.0256 2.2057 2.2398 2.3505 2.3702 2.7597 2.7698 2.9888 3.0154 3.0603 3.0730 3.3696 3.3788 3.5205 3.5563 7.9760 8.2803 9.5525 9.7347 10.7890 10.9435 11.5714 11.5893 11.9838 12.0035 k = 0.3295-0.1243 0.1735 ( 4064 PWs) bands (ev): -16.0634 -16.0605 -15.1185 -15.1134 -14.4246 -14.4190 -13.9383 -13.9341 -13.7054 -13.7034 -13.4224 -13.4189 -5.7249 -5.7146 -4.4357 -4.4320 -3.0476 -3.0273 -2.7541 -2.7318 -2.2311 -2.2212 -1.3653 -1.2848 -0.5737 -0.4576 -0.3116 -0.2107 0.2939 0.4129 0.6747 0.7228 1.3869 1.4381 2.0030 2.0327 2.2020 2.2357 2.3583 2.3775 2.7537 2.7637 2.9802 3.0061 3.0488 3.0635 3.3602 3.3718 3.5135 3.5468 7.9614 8.2781 9.5476 9.7393 10.7642 10.9252 11.5598 11.5778 11.9973 12.0169 k = 0.3182-0.1200 0.1675 ( 4061 PWs) bands (ev): -16.0790 -16.0760 -15.1199 -15.1147 -14.4009 -14.3958 -13.9414 -13.9373 -13.7074 -13.7056 -13.4195 -13.4159 -5.6995 -5.6889 -4.4530 -4.4494 -3.0681 -3.0482 -2.7566 -2.7339 -2.2257 -2.2164 -1.3743 -1.2899 -0.5577 -0.4433 -0.3138 -0.2185 0.2914 0.4126 0.6838 0.7364 1.4116 1.4597 2.0038 2.0381 2.1981 2.2317 2.3673 2.3862 2.7446 2.7544 2.9721 2.9964 3.0409 3.0567 3.3488 3.3633 3.5068 3.5371 7.9479 8.2757 9.5441 9.7444 10.7394 10.9058 11.5468 11.5648 12.0107 12.0303 k = 0.3068-0.1158 0.1615 ( 4058 PWs) bands (ev): -16.0949 -16.0918 -15.1205 -15.1152 -14.3781 -14.3736 -13.9441 -13.9402 -13.7096 -13.7077 -13.4164 -13.4126 -5.6732 -5.6623 -4.4703 -4.4670 -3.0887 -3.0692 -2.7593 -2.7360 -2.2230 -2.2143 -1.3819 -1.2944 -0.5406 -0.4328 -0.3083 -0.2231 0.2889 0.4116 0.6926 0.7498 1.4358 1.4799 2.0024 2.0409 2.1945 2.2282 2.3774 2.3962 2.7328 2.7424 2.9644 2.9863 3.0365 3.0525 3.3357 3.3531 3.5004 3.5272 7.9359 8.2735 9.5420 9.7499 10.7145 10.8852 11.5323 11.5504 12.0241 12.0437 k = 0.2955-0.1115 0.1555 ( 4058 PWs) bands (ev): -16.1109 -16.1078 -15.1203 -15.1149 -14.3567 -14.3528 -13.9461 -13.9425 -13.7117 -13.7099 -13.4129 -13.4090 -5.6461 -5.6350 -4.4875 -4.4844 -3.1093 -3.0902 -2.7622 -2.7383 -2.2233 -2.2150 -1.3878 -1.2982 -0.5229 -0.4268 -0.2948 -0.2243 0.2865 0.4100 0.7014 0.7633 1.4591 1.4984 1.9984 2.0404 2.1917 2.2254 2.3884 2.4072 2.7191 2.7285 2.9572 2.9765 3.0348 3.0507 3.3206 3.3410 3.4943 3.5174 7.9254 8.2714 9.5414 9.7560 10.6898 10.8637 11.5164 11.5344 12.0373 12.0572 k = 0.2841-0.1072 0.1496 ( 4063 PWs) bands (ev): -16.1270 -16.1238 -15.1193 -15.1138 -14.3370 -14.3337 -13.9473 -13.9441 -13.7138 -13.7120 -13.4091 -13.4051 -5.6183 -5.6071 -4.5044 -4.5016 -3.1300 -3.1111 -2.7652 -2.7406 -2.2267 -2.2185 -1.3918 -1.3010 -0.5053 -0.4241 -0.2749 -0.2218 0.2843 0.4078 0.7105 0.7771 1.4810 1.5149 1.9916 2.0360 2.1902 2.2233 2.3999 2.4190 2.7042 2.7136 2.9507 2.9674 3.0350 3.0507 3.3037 3.3269 3.4883 3.5078 7.9166 8.2698 9.5424 9.7625 10.6655 10.8415 11.4991 11.5169 12.0502 12.0707 k = 0.2727-0.1029 0.1436 ( 4065 PWs) bands (ev): -16.1430 -16.1399 -15.1176 -15.1120 -14.3193 -14.3165 -13.9473 -13.9446 -13.7158 -13.7141 -13.4051 -13.4010 -5.5902 -5.5789 -4.5208 -4.5183 -3.1506 -3.1320 -2.7684 -2.7430 -2.2333 -2.2247 -1.3938 -1.3026 -0.4882 -0.4229 -0.2508 -0.2152 0.2824 0.4052 0.7203 0.7914 1.5014 1.5290 1.9819 2.0274 2.1903 2.2220 2.4118 2.4311 2.6891 2.6986 2.9449 2.9592 3.0361 3.0520 3.2852 3.3107 3.4824 3.4983 7.9097 8.2687 9.5450 9.7695 10.6416 10.8186 11.4804 11.4979 12.0628 12.0842 k = 0.2614-0.0986 0.1376 ( 4070 PWs) bands (ev): -16.1589 -16.1558 -15.1153 -15.1095 -14.3040 -14.3016 -13.9459 -13.9439 -13.7177 -13.7161 -13.4008 -13.3967 -5.5618 -5.5505 -4.5365 -4.5343 -3.1712 -3.1529 -2.7716 -2.7454 -2.2430 -2.2336 -1.3937 -1.3029 -0.4724 -0.4220 -0.2251 -0.2038 0.2809 0.4021 0.7309 0.8066 1.5197 1.5405 1.9696 2.0149 2.1918 2.2216 2.4235 2.4429 2.6746 2.6845 2.9399 2.9522 3.0375 3.0541 3.2654 3.2925 3.4765 3.4891 7.9047 8.2683 9.5492 9.7770 10.6184 10.7955 11.4603 11.4774 12.0749 12.0978 k = 0.2500-0.0943 0.1316 ( 4070 PWs) bands (ev): -16.1747 -16.1716 -15.1122 -15.1064 -14.2916 -14.2890 -13.9430 -13.9415 -13.7196 -13.7180 -13.3964 -13.3923 -5.5334 -5.5222 -4.5514 -4.5495 -3.1917 -3.1735 -2.7750 -2.7477 -2.2557 -2.2451 -1.3915 -1.3019 -0.4581 -0.4202 -0.2013 -0.1855 0.2798 0.3988 0.7428 0.8229 1.5359 1.5494 1.9548 1.9988 2.1946 2.2219 2.4344 2.4539 2.6616 2.6721 2.9358 2.9464 3.0386 3.0565 3.2446 3.2726 3.4704 3.4800 7.9017 8.2685 9.5552 9.7849 10.5959 10.7722 11.4390 11.4557 12.0866 12.1112 k = 0.2386-0.0900 0.1256 ( 4076 PWs) bands (ev): -16.1902 -16.1871 -15.1086 -15.1027 -14.2823 -14.2790 -13.9383 -13.9373 -13.7213 -13.7198 -13.3918 -13.3877 -5.5053 -5.4941 -4.5652 -4.5635 -3.2120 -3.1940 -2.7783 -2.7501 -2.2712 -2.2592 -1.3872 -1.2995 -0.4459 -0.4171 -0.1809 -0.1600 0.2794 0.3952 0.7559 0.8406 1.5495 1.5557 1.9378 1.9799 2.1984 2.2230 2.4438 2.4632 2.6510 2.6622 2.9324 2.9417 3.0386 3.0586 3.2234 3.2512 3.4640 3.4711 7.9009 8.2694 9.5628 9.7933 10.5743 10.7490 11.4163 11.4328 12.0977 12.1245 k = 0.2273-0.0857 0.1196 ( 4075 PWs) bands (ev): -16.2053 -16.2023 -15.1044 -15.0984 -14.2759 -14.2719 -13.9321 -13.9311 -13.7228 -13.7214 -13.3872 -13.3830 -5.4776 -5.4666 -4.5777 -4.5762 -3.2320 -3.2142 -2.7817 -2.7524 -2.2891 -2.2755 -1.3811 -1.2957 -0.4358 -0.4120 -0.1603 -0.1324 0.2795 0.3915 0.7706 0.8599 1.5572 1.5625 1.9191 1.9586 2.2029 2.2248 2.4511 2.4700 2.6434 2.6555 2.9297 2.9382 3.0369 3.0599 3.2026 3.2289 3.4574 3.4623 7.9023 8.2710 9.5721 9.8020 10.5537 10.7261 11.3923 11.4088 12.1083 12.1375 k = 0.2159-0.0815 0.1137 ( 4067 PWs) bands (ev): -16.2201 -16.2171 -15.0998 -15.0936 -14.2724 -14.2675 -13.9243 -13.9229 -13.7242 -13.7228 -13.3824 -13.3783 -5.4507 -5.4400 -4.5887 -4.5873 -3.2518 -3.2341 -2.7850 -2.7546 -2.3093 -2.2940 -1.3732 -1.2907 -0.4274 -0.4050 -0.1384 -0.1050 0.2802 0.3878 0.7870 0.8812 1.5578 1.5709 1.8992 1.9358 2.2081 2.2275 2.4557 2.4738 2.6393 2.6522 2.9272 2.9355 3.0326 3.0595 3.1834 3.2068 3.4504 3.4537 7.9058 8.2732 9.5830 9.8112 10.5340 10.7039 11.3670 11.3840 12.1183 12.1501 k = 0.2045-0.0772 0.1077 ( 4072 PWs) bands (ev): -16.2344 -16.2315 -15.0946 -15.0884 -14.2715 -14.2659 -13.9151 -13.9132 -13.7254 -13.7240 -13.3776 -13.3735 -5.4249 -5.4144 -4.5980 -4.5967 -3.2711 -3.2536 -2.7884 -2.7567 -2.3315 -2.3143 -1.3638 -1.2844 -0.4199 -0.3967 -0.1156 -0.0788 0.2816 0.3840 0.8050 0.9045 1.5551 1.5773 1.8786 1.9120 2.2138 2.2310 2.4573 2.4743 2.6387 2.6521 2.9245 2.9335 3.0248 3.0562 3.1672 3.1862 3.4430 3.4453 7.9114 8.2758 9.5956 9.8208 10.5155 10.6827 11.3404 11.3585 12.1277 12.1623 k = 0.1932-0.0729 0.1017 ( 4076 PWs) bands (ev): -16.2482 -16.2454 -15.0891 -15.0828 -14.2730 -14.2667 -13.9045 -13.9023 -13.7264 -13.7251 -13.3728 -13.3688 -5.4004 -5.3903 -4.6054 -4.6040 -3.2899 -3.2727 -2.7916 -2.7586 -2.3554 -2.3363 -1.3531 -1.2772 -0.4124 -0.3878 -0.0923 -0.0544 0.2835 0.3803 0.8247 0.9301 1.5497 1.5812 1.8579 1.8881 2.2199 2.2352 2.4562 2.4717 2.6408 2.6548 2.9208 2.9316 3.0133 3.0486 3.1552 3.1692 3.4351 3.4373 7.9191 8.2789 9.6097 9.8308 10.4979 10.6627 11.3124 11.3326 12.1365 12.1739 k = 0.1818-0.0686 0.0957 ( 4073 PWs) bands (ev): -16.2614 -16.2587 -15.0832 -15.0769 -14.2764 -14.2696 -13.8930 -13.8904 -13.7272 -13.7259 -13.3681 -13.3642 -5.3775 -5.3677 -4.6107 -4.6093 -3.3082 -3.2913 -2.7946 -2.7604 -2.3806 -2.3596 -1.3412 -1.2691 -0.4045 -0.3785 -0.0694 -0.0321 0.2858 0.3767 0.8459 0.9579 1.5418 1.5827 1.8378 1.8646 2.2265 2.2401 2.4527 2.4667 2.6445 2.6591 2.9147 2.9291 2.9993 3.0361 3.1479 3.1572 3.4269 3.4296 7.9288 8.2821 9.6253 9.8411 10.4815 10.6442 11.2831 11.3062 12.1447 12.1849 k = 0.1705-0.0643 0.0897 ( 4073 PWs) bands (ev): -16.2740 -16.2715 -15.0770 -15.0708 -14.2815 -14.2743 -13.8808 -13.8781 -13.7277 -13.7265 -13.3634 -13.3596 -5.3564 -5.3470 -4.6138 -4.6123 -3.3258 -3.3093 -2.7975 -2.7618 -2.4069 -2.3840 -1.3285 -1.2602 -0.3959 -0.3690 -0.0472 -0.0121 0.2885 0.3733 0.8685 0.9879 1.5315 1.5820 1.8188 1.8425 2.2333 2.2456 2.4474 2.4599 2.6486 2.6640 2.9044 2.9243 2.9854 3.0205 3.1445 3.1505 3.4187 3.4218 7.9403 8.2852 9.6423 9.8517 10.4662 10.6275 11.2528 11.2796 12.1523 12.1950 k = 0.1591-0.0600 0.0838 ( 4071 PWs) bands (ev): -16.2860 -16.2836 -15.0706 -15.0645 -14.2878 -14.2804 -13.8683 -13.8656 -13.7280 -13.7268 -13.3588 -13.3552 -5.3373 -5.3284 -4.6146 -4.6130 -3.3427 -3.3266 -2.8002 -2.7630 -2.4341 -2.4091 -1.3152 -1.2509 -0.3866 -0.3594 -0.0263 0.0056 0.2914 0.3699 0.8922 1.0197 1.5193 1.5792 1.8018 1.8225 2.2403 2.2515 2.4407 2.4520 2.6515 2.6683 2.8889 2.9150 2.9746 3.0053 3.1442 3.1481 3.4106 3.4142 7.9536 8.2882 9.6604 9.8626 10.4520 10.6128 11.2216 11.2527 12.1594 12.2043 k = 0.1477-0.0557 0.0778 ( 4069 PWs) bands (ev): -16.2973 -16.2950 -15.0641 -15.0581 -14.2950 -14.2875 -13.8559 -13.8533 -13.7280 -13.7268 -13.3544 -13.3509 -5.3203 -5.3120 -4.6131 -4.6115 -3.3587 -3.3432 -2.8025 -2.7638 -2.4618 -2.4348 -1.3014 -1.2412 -0.3766 -0.3497 -0.0071 0.0211 0.2943 0.3667 0.9167 1.0530 1.5054 1.5747 1.7873 1.8053 2.2474 2.2578 2.4331 2.4432 2.6517 2.6705 2.8692 2.8991 2.9682 2.9942 3.1460 3.1488 3.4026 3.4066 7.9685 8.2907 9.6796 9.8736 10.4390 10.6003 11.1896 11.2256 12.1659 12.2127 k = 0.1364-0.0514 0.0718 ( 4064 PWs) bands (ev): -16.3079 -16.3058 -15.0575 -15.0516 -14.3029 -14.2954 -13.8439 -13.8414 -13.7278 -13.7264 -13.3502 -13.3469 -5.3056 -5.2978 -4.6094 -4.6079 -3.3739 -3.3590 -2.8045 -2.7641 -2.4898 -2.4606 -1.2874 -1.2313 -0.3661 -0.3399 0.0101 0.0345 0.2971 0.3634 0.9414 1.0871 1.4902 1.5690 1.7760 1.7916 2.2546 2.2642 2.4245 2.4339 2.6474 2.6691 2.8487 2.8781 2.9654 2.9876 3.1492 3.1515 3.3950 3.3992 7.9848 8.2926 9.6996 9.8847 10.4273 10.5899 11.1573 11.1985 12.1720 12.2200 k = 0.1250-0.0472 0.0658 ( 4062 PWs) bands (ev): -16.3178 -16.3158 -15.0510 -15.0453 -14.3111 -14.3038 -13.8324 -13.8301 -13.7271 -13.7258 -13.3461 -13.3431 -5.2930 -5.2858 -4.6038 -4.6023 -3.3881 -3.3739 -2.8060 -2.7640 -2.5177 -2.4864 -1.2733 -1.2215 -0.3551 -0.3302 0.0251 0.0463 0.2996 0.3602 0.9660 1.1209 1.4745 1.5627 1.7683 1.7820 2.2615 2.2707 2.4152 2.4241 2.6368 2.6623 2.8307 2.8560 2.9648 2.9842 3.1535 3.1556 3.3877 3.3920 8.0023 8.2936 9.7202 9.8955 10.4171 10.5816 11.1248 11.1714 12.1777 12.2263 k = 0.1136-0.0429 0.0598 ( 4066 PWs) bands (ev): -16.3268 -16.3250 -15.0445 -15.0391 -14.3194 -14.3124 -13.8218 -13.8198 -13.7262 -13.7247 -13.3424 -13.3395 -5.2825 -5.2760 -4.5965 -4.5951 -3.4012 -3.3879 -2.8070 -2.7634 -2.5455 -2.5119 -1.2594 -1.2120 -0.3439 -0.3206 0.0377 0.0566 0.3020 0.3568 0.9897 1.1530 1.4592 1.5563 1.7647 1.7770 2.2682 2.2771 2.4048 2.4140 2.6190 2.6484 2.8174 2.8368 2.9653 2.9824 3.1584 3.1604 3.3808 3.3851 8.0208 8.2936 9.7411 9.9060 10.4088 10.5752 11.0927 11.1444 12.1830 12.2314 k = 0.1023-0.0386 0.0538 ( 4061 PWs) bands (ev): -16.3351 -16.3334 -15.0382 -15.0331 -14.3276 -14.3209 -13.8123 -13.8106 -13.7248 -13.7233 -13.3388 -13.3362 -5.2740 -5.2680 -4.5879 -4.5866 -3.4133 -3.4009 -2.8073 -2.7621 -2.5727 -2.5368 -1.2459 -1.2029 -0.3327 -0.3113 0.0480 0.0658 0.3040 0.3532 1.0122 1.1817 1.4456 1.5501 1.7655 1.7769 2.2746 2.2831 2.3931 2.4034 2.5947 2.6266 2.8092 2.8228 2.9663 2.9814 3.1639 3.1658 3.3744 3.3785 8.0400 8.2923 9.7621 9.9158 10.4028 10.5702 11.0614 11.1178 12.1880 12.2354 k = 0.0909-0.0343 0.0479 ( 4063 PWs) bands (ev): -16.3425 -16.3410 -15.0322 -15.0274 -14.3355 -14.3293 -13.8039 -13.8025 -13.7230 -13.7215 -13.3356 -13.3332 -5.2671 -5.2618 -4.5785 -4.5773 -3.4241 -3.4128 -2.8068 -2.7601 -2.5991 -2.5609 -1.2330 -1.1945 -0.3216 -0.3024 0.0563 0.0739 0.3058 0.3494 1.0331 1.2046 1.4356 1.5444 1.7714 1.7820 2.2803 2.2887 2.3797 2.3920 2.5664 2.5984 2.8050 2.8143 2.9676 2.9808 3.1695 3.1714 3.3685 3.3724 8.0598 8.2896 9.7829 9.9244 10.3995 10.5660 11.0315 11.0916 12.1928 12.2383 k = 0.0795-0.0300 0.0419 ( 4065 PWs) bands (ev): -16.3491 -16.3478 -15.0266 -15.0222 -14.3428 -14.3372 -13.7968 -13.7957 -13.7209 -13.7194 -13.3327 -13.3306 -5.2618 -5.2571 -4.5687 -4.5676 -3.4338 -3.4235 -2.8054 -2.7573 -2.6245 -2.5841 -1.2208 -1.1868 -0.3109 -0.2941 0.0630 0.0806 0.3074 0.3454 1.0522 1.2195 1.4312 1.5389 1.7826 1.7923 2.2851 2.2935 2.3641 2.3794 2.5369 2.5663 2.8034 2.8098 2.9688 2.9802 3.1751 3.1769 3.3632 3.3668 8.0800 8.2855 9.8033 9.9315 10.3993 10.5620 11.0039 11.0661 12.1975 12.2401 k = 0.0682-0.0257 0.0359 ( 4063 PWs) bands (ev): -16.3549 -16.3537 -15.0214 -15.0175 -14.3495 -14.3445 -13.7910 -13.7901 -13.7186 -13.7171 -13.3301 -13.3282 -5.2577 -5.2537 -4.5590 -4.5581 -3.4421 -3.4331 -2.8030 -2.7536 -2.6486 -2.6060 -1.2095 -1.1802 -0.3009 -0.2866 0.0686 0.0860 0.3089 0.3413 1.0696 1.2251 1.4332 1.5336 1.7989 1.8077 2.2882 2.2967 2.3465 2.3651 2.5091 2.5337 2.8034 2.8080 2.9700 2.9797 3.1805 3.1822 3.3584 3.3617 8.1002 8.2797 9.8230 9.9367 10.4025 10.5574 10.9792 11.0415 12.2020 12.2408 k = 0.0568-0.0214 0.0299 ( 4065 PWs) bands (ev): -16.3597 -16.3588 -15.0167 -15.0134 -14.3553 -14.3510 -13.7863 -13.7857 -13.7161 -13.7148 -13.3278 -13.3263 -5.2546 -5.2513 -4.5498 -4.5491 -3.4491 -3.4415 -2.7994 -2.7489 -2.6713 -2.6266 -1.1992 -1.1746 -0.2917 -0.2800 0.0734 0.0899 0.3104 0.3371 1.0856 1.2223 1.4405 1.5282 1.8195 1.8277 2.2869 2.2961 2.3299 2.3493 2.4851 2.5038 2.8042 2.8076 2.9712 2.9791 3.1855 3.1870 3.3544 3.3572 8.1203 8.2724 9.8418 9.9396 10.4093 10.5513 10.9585 11.0182 12.2066 12.2405 k = 0.0455-0.0171 0.0239 ( 4062 PWs) bands (ev): -16.3637 -16.3629 -15.0127 -15.0100 -14.3602 -14.3567 -13.7827 -13.7823 -13.7137 -13.7126 -13.3259 -13.3247 -5.2523 -5.2496 -4.5417 -4.5411 -3.4547 -3.4485 -2.7945 -2.7431 -2.6923 -2.6457 -1.1902 -1.1704 -0.2837 -0.2744 0.0776 0.0924 0.3118 0.3330 1.1004 1.2135 1.4510 1.5224 1.8431 1.8514 2.2748 2.2882 2.3216 2.3350 2.4662 2.4791 2.8054 2.8079 2.9722 2.9785 3.1899 3.1912 3.3511 3.3534 8.1401 8.2634 9.8595 9.9400 10.4196 10.5430 10.9427 10.9965 12.2110 12.2393 k = 0.0341-0.0129 0.0179 ( 4067 PWs) bands (ev): -16.3668 -16.3662 -15.0095 -15.0074 -14.3640 -14.3613 -13.7801 -13.7798 -13.7116 -13.7107 -13.3244 -13.3235 -5.2507 -5.2487 -4.5349 -4.5345 -3.4590 -3.4542 -2.7881 -2.7364 -2.7114 -2.6633 -1.1824 -1.1675 -0.2770 -0.2701 0.0814 0.0935 0.3134 0.3291 1.1147 1.2011 1.4625 1.5162 1.8679 1.8765 2.2531 2.2711 2.3206 2.3272 2.4524 2.4607 2.8065 2.8084 2.9731 2.9778 3.1935 3.1946 3.3485 3.3503 8.1593 8.2527 9.8759 9.9378 10.4330 10.5320 10.9323 10.9767 12.2154 12.2373 k = 0.0227-0.0086 0.0120 ( 4066 PWs) bands (ev): -16.3690 -16.3686 -15.0070 -15.0056 -14.3666 -14.3648 -13.7783 -13.7782 -13.7099 -13.7093 -13.3233 -13.3226 -5.2495 -5.2482 -4.5298 -4.5295 -3.4618 -3.4586 -2.7800 -2.7321 -2.7248 -2.6793 -1.1761 -1.1661 -0.2718 -0.2673 0.0849 0.0935 0.3151 0.3256 1.1287 1.1870 1.4738 1.5094 1.8913 1.8992 2.2316 2.2483 2.3217 2.3249 2.4433 2.4482 2.8076 2.8088 2.9740 2.9771 3.1963 3.1971 3.3467 3.3479 8.1778 8.2405 9.8910 9.9329 10.4488 10.5182 10.9277 10.9594 12.2197 12.2347 k = 0.0114-0.0043 0.0060 ( 4062 PWs) bands (ev): -16.3703 -16.3701 -15.0053 -15.0046 -14.3681 -14.3671 -13.7773 -13.7772 -13.7088 -13.7085 -13.3225 -13.3222 -5.2487 -5.2480 -4.5266 -4.5265 -3.4632 -3.4615 -2.7703 -2.7453 -2.7173 -2.6936 -1.1713 -1.1663 -0.2682 -0.2659 0.0879 0.0924 0.3172 0.3224 1.1429 1.1722 1.4841 1.5019 1.9097 1.9147 2.2175 2.2275 2.3229 2.3243 2.4385 2.4408 2.8084 2.8090 2.9748 2.9764 3.1981 3.1985 3.3457 3.3464 8.1953 8.2268 9.9044 9.9256 10.4664 10.5021 10.9286 10.9452 12.2239 12.2315 k = 0.0000 0.0000 0.0000 ( 4063 PWs) bands (ev): -16.3706 -16.3706 -15.0045 -15.0045 -14.3682 -14.3682 -13.7769 -13.7769 -13.7083 -13.7083 -13.3222 -13.3222 -5.2482 -5.2482 -4.5255 -4.5255 -3.4631 -3.4631 -2.7587 -2.7587 -2.7063 -2.7063 -1.1680 -1.1680 -0.2662 -0.2662 0.0905 0.0905 0.3196 0.3196 1.1574 1.1574 1.4935 1.4935 1.9185 1.9185 2.2159 2.2159 2.3238 2.3238 2.4376 2.4376 2.8089 2.8089 2.9756 2.9756 3.1988 3.1988 3.3456 3.3456 8.2117 8.2117 9.9160 9.9160 10.4845 10.4845 10.9347 10.9347 12.2278 12.2278 Writing output data file BixBO2x3.save init_run : 1.51s CPU 11.76s WALL ( 1 calls) electrons : 901.80s CPU 915.33s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.22s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 901.77s CPU 914.96s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.99s WALL ( 1 calls) v_h : 0.00s CPU 0.09s WALL ( 1 calls) v_xc : 0.02s CPU 0.60s WALL ( 1 calls) newd : 0.23s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 338 calls) cegterg : 846.58s CPU 855.92s WALL ( 734 calls) Called by sum_band: Called by *egterg: h_psi : 343.77s CPU 355.23s WALL ( 13146 calls) s_psi : 22.86s CPU 23.66s WALL ( 13146 calls) g_psi : 0.80s CPU 0.89s WALL ( 12074 calls) cdiaghg : 352.63s CPU 350.76s WALL ( 12412 calls) cegterg:over : 80.87s CPU 78.10s WALL ( 12074 calls) cegterg:upda : 16.95s CPU 20.35s WALL ( 12074 calls) cegterg:last : 13.69s CPU 14.47s WALL ( 2086 calls) Called by h_psi: h_psi:vloc : 276.50s CPU 285.60s WALL ( 13146 calls) h_psi:vnl : 66.98s CPU 68.53s WALL ( 13146 calls) add_vuspsi : 17.67s CPU 21.67s WALL ( 13146 calls) General routines calbec : 49.27s CPU 46.72s WALL ( 13146 calls) fft : 0.23s CPU 1.73s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 263.44s CPU 269.88s WALL ( 1548568 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.05s CPU 2.22s WALL ( 676 calls) Parallel routines fft_scatter : 170.85s CPU 174.86s WALL ( 1548591 calls) PWSCF : 16m 8.87s CPU 17m54.93s WALL This run was terminated on: 11:30:14 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=