Program PWSCF v.5.1.1 starts on 28Nov2015 at 21:43:48 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 1547 672 103 Max 35 20 6 1552 690 110 Sum 1637 949 277 74363 32697 5139 bravais-lattice index = 14 lattice parameter (alat) = 8.2137 a.u. unit-cell volume = 751.3959 (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)= 8.213654 celldm(2)= 1.000000 celldm(3)= 1.497304 celldm(4)= 0.220411 celldm(5)= 0.220411 celldm(6)= 0.340191 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.340191 0.940356 0.000000 ) a(3) = ( 0.330023 0.231563 1.442007 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.361769 -0.170769 ) b(2) = ( 0.000000 1.063427 -0.170769 ) b(3) = ( 0.000000 0.000000 0.693478 ) 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= 334 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0108696 0.0076267 -0.0037124), wk = 0.0029940 k( 3) = ( 0.0217391 0.0152534 -0.0074248), wk = 0.0029940 k( 4) = ( 0.0326087 0.0228802 -0.0111371), wk = 0.0029940 k( 5) = ( 0.0434783 0.0305069 -0.0148495), wk = 0.0029940 k( 6) = ( 0.0543478 0.0381336 -0.0185619), wk = 0.0029940 k( 7) = ( 0.0652174 0.0457603 -0.0222743), wk = 0.0029940 k( 8) = ( 0.0760870 0.0533870 -0.0259866), wk = 0.0029940 k( 9) = ( 0.0869565 0.0610138 -0.0296990), wk = 0.0029940 k( 10) = ( 0.0978261 0.0686405 -0.0334114), wk = 0.0029940 k( 11) = ( 0.1086957 0.0762672 -0.0371238), wk = 0.0029940 k( 12) = ( 0.1195652 0.0838939 -0.0408361), wk = 0.0029940 k( 13) = ( 0.1304348 0.0915206 -0.0445485), wk = 0.0029940 k( 14) = ( 0.1413043 0.0991474 -0.0482609), wk = 0.0029940 k( 15) = ( 0.1521739 0.1067741 -0.0519733), wk = 0.0029940 k( 16) = ( 0.1630435 0.1144008 -0.0556856), wk = 0.0029940 k( 17) = ( 0.1739130 0.1220275 -0.0593980), wk = 0.0029940 k( 18) = ( 0.1847826 0.1296542 -0.0631104), wk = 0.0029940 k( 19) = ( 0.1956522 0.1372810 -0.0668228), wk = 0.0029940 k( 20) = ( 0.2065217 0.1449077 -0.0705351), wk = 0.0029940 k( 21) = ( 0.2173913 0.1525344 -0.0742475), wk = 0.0029940 k( 22) = ( 0.2282609 0.1601611 -0.0779599), wk = 0.0029940 k( 23) = ( 0.2391304 0.1677878 -0.0816723), wk = 0.0029940 k( 24) = ( 0.2500000 0.1754146 -0.0853846), wk = 0.0029940 k( 25) = ( 0.2608696 0.1830413 -0.0890970), wk = 0.0029940 k( 26) = ( 0.2717391 0.1906680 -0.0928094), wk = 0.0029940 k( 27) = ( 0.2826087 0.1982947 -0.0965218), wk = 0.0029940 k( 28) = ( 0.2934783 0.2059214 -0.1002341), wk = 0.0029940 k( 29) = ( 0.3043478 0.2135482 -0.1039465), wk = 0.0029940 k( 30) = ( 0.3152174 0.2211749 -0.1076589), wk = 0.0029940 k( 31) = ( 0.3260870 0.2288016 -0.1113713), wk = 0.0029940 k( 32) = ( 0.3369565 0.2364283 -0.1150837), wk = 0.0029940 k( 33) = ( 0.3478261 0.2440550 -0.1187960), wk = 0.0029940 k( 34) = ( 0.3586956 0.2516818 -0.1225084), wk = 0.0029940 k( 35) = ( 0.3695652 0.2593085 -0.1262208), wk = 0.0029940 k( 36) = ( 0.3804348 0.2669352 -0.1299332), wk = 0.0029940 k( 37) = ( 0.3913044 0.2745619 -0.1336455), wk = 0.0029940 k( 38) = ( 0.4021739 0.2821886 -0.1373579), wk = 0.0029940 k( 39) = ( 0.4130435 0.2898154 -0.1410703), wk = 0.0029940 k( 40) = ( 0.4239130 0.2974421 -0.1447827), wk = 0.0029940 k( 41) = ( 0.4347826 0.3050688 -0.1484950), wk = 0.0029940 k( 42) = ( 0.4456522 0.3126955 -0.1522074), wk = 0.0029940 k( 43) = ( 0.4565217 0.3203222 -0.1559198), wk = 0.0029940 k( 44) = ( 0.4673913 0.3279490 -0.1596322), wk = 0.0029940 k( 45) = ( 0.4782609 0.3355757 -0.1633445), wk = 0.0029940 k( 46) = ( 0.4891304 0.3432024 -0.1670569), wk = 0.0029940 k( 47) = ( 0.5000000 0.3508291 -0.1707693), wk = 0.0029940 k( 48) = ( 0.5000000 0.3508291 -0.1707693), wk = 0.0029940 k( 49) = ( 0.5028767 0.3528475 -0.1582000), wk = 0.0029940 k( 50) = ( 0.5057533 0.3548660 -0.1456308), wk = 0.0029940 k( 51) = ( 0.5086299 0.3568844 -0.1330615), wk = 0.0029940 k( 52) = ( 0.5115066 0.3589028 -0.1204922), wk = 0.0029940 k( 53) = ( 0.5143832 0.3609212 -0.1079229), wk = 0.0029940 k( 54) = ( 0.5172599 0.3629397 -0.0953537), wk = 0.0029940 k( 55) = ( 0.5201365 0.3649581 -0.0827844), wk = 0.0029940 k( 56) = ( 0.5230132 0.3669765 -0.0702151), wk = 0.0029940 k( 57) = ( 0.5258898 0.3689949 -0.0576459), wk = 0.0029940 k( 58) = ( 0.5287665 0.3710133 -0.0450766), wk = 0.0029940 k( 59) = ( 0.5316431 0.3730318 -0.0325073), wk = 0.0029940 k( 60) = ( 0.5345198 0.3750502 -0.0199381), wk = 0.0029940 k( 61) = ( 0.5373964 0.3770686 -0.0073688), wk = 0.0029940 k( 62) = ( 0.5402731 0.3790870 0.0052005), wk = 0.0029940 k( 63) = ( 0.5402731 0.3790870 0.0052005), wk = 0.0029940 k( 64) = ( 0.5371751 0.3769134 0.0183366), wk = 0.0029940 k( 65) = ( 0.5340772 0.3747397 0.0314727), wk = 0.0029940 k( 66) = ( 0.5309793 0.3725660 0.0446088), wk = 0.0029940 k( 67) = ( 0.5278814 0.3703923 0.0577449), wk = 0.0029940 k( 68) = ( 0.5247834 0.3682186 0.0708810), wk = 0.0029940 k( 69) = ( 0.5216855 0.3660449 0.0840171), wk = 0.0029940 k( 70) = ( 0.5185876 0.3638712 0.0971532), wk = 0.0029940 k( 71) = ( 0.5154896 0.3616976 0.1102893), wk = 0.0029940 k( 72) = ( 0.5123917 0.3595239 0.1234254), wk = 0.0029940 k( 73) = ( 0.5092938 0.3573502 0.1365615), wk = 0.0029940 k( 74) = ( 0.5061959 0.3551765 0.1496976), wk = 0.0029940 k( 75) = ( 0.5030979 0.3530028 0.1628337), wk = 0.0029940 k( 76) = ( 0.5000000 0.3508291 0.1759698), wk = 0.0029940 k( 77) = ( 0.5000000 0.3508291 0.1759698), wk = 0.0029940 k( 78) = ( 0.5078183 0.3396864 0.1759698), wk = 0.0029940 k( 79) = ( 0.5156367 0.3285438 0.1759698), wk = 0.0029940 k( 80) = ( 0.5234551 0.3174011 0.1759698), wk = 0.0029940 k( 81) = ( 0.5312734 0.3062584 0.1759698), wk = 0.0029940 k( 82) = ( 0.5390918 0.2951157 0.1759698), wk = 0.0029940 k( 83) = ( 0.5469101 0.2839730 0.1759698), wk = 0.0029940 k( 84) = ( 0.5547285 0.2728304 0.1759698), wk = 0.0029940 k( 85) = ( 0.5625468 0.2616877 0.1759698), wk = 0.0029940 k( 86) = ( 0.5703652 0.2505450 0.1759698), wk = 0.0029940 k( 87) = ( 0.5781835 0.2394023 0.1759698), wk = 0.0029940 k( 88) = ( 0.5860019 0.2282596 0.1759698), wk = 0.0029940 k( 89) = ( 0.5938202 0.2171170 0.1759698), wk = 0.0029940 k( 90) = ( 0.6016386 0.2059743 0.1759698), wk = 0.0029940 k( 91) = ( 0.6094569 0.1948316 0.1759698), wk = 0.0029940 k( 92) = ( 0.6172753 0.1836889 0.1759698), wk = 0.0029940 k( 93) = ( 0.6250936 0.1725463 0.1759698), wk = 0.0029940 k( 94) = ( 0.6329120 0.1614036 0.1759698), wk = 0.0029940 k( 95) = ( 0.6407304 0.1502609 0.1759698), wk = 0.0029940 k( 96) = ( 0.6485487 0.1391182 0.1759698), wk = 0.0029940 k( 97) = ( 0.6563671 0.1279755 0.1759698), wk = 0.0029940 k( 98) = ( 0.3436329 -0.4897440 0.3467391), wk = 0.0029940 k( 99) = ( 0.3358231 -0.4786135 0.3467391), wk = 0.0029940 k( 100) = ( 0.3280133 -0.4674829 0.3467391), wk = 0.0029940 k( 101) = ( 0.3202034 -0.4563524 0.3467391), wk = 0.0029940 k( 102) = ( 0.3123936 -0.4452219 0.3467391), wk = 0.0029940 k( 103) = ( 0.3045837 -0.4340913 0.3467391), wk = 0.0029940 k( 104) = ( 0.2967739 -0.4229608 0.3467391), wk = 0.0029940 k( 105) = ( 0.2889641 -0.4118302 0.3467391), wk = 0.0029940 k( 106) = ( 0.2811542 -0.4006997 0.3467391), wk = 0.0029940 k( 107) = ( 0.2733444 -0.3895691 0.3467391), wk = 0.0029940 k( 108) = ( 0.2655345 -0.3784386 0.3467391), wk = 0.0029940 k( 109) = ( 0.2577247 -0.3673080 0.3467391), wk = 0.0029940 k( 110) = ( 0.2499149 -0.3561775 0.3467391), wk = 0.0029940 k( 111) = ( 0.2421050 -0.3450469 0.3467391), wk = 0.0029940 k( 112) = ( 0.2342952 -0.3339164 0.3467391), wk = 0.0029940 k( 113) = ( 0.2264854 -0.3227859 0.3467391), wk = 0.0029940 k( 114) = ( 0.2186755 -0.3116553 0.3467391), wk = 0.0029940 k( 115) = ( 0.2108657 -0.3005248 0.3467391), wk = 0.0029940 k( 116) = ( 0.2030558 -0.2893942 0.3467391), wk = 0.0029940 k( 117) = ( 0.1952460 -0.2782637 0.3467391), wk = 0.0029940 k( 118) = ( 0.1874361 -0.2671331 0.3467391), wk = 0.0029940 k( 119) = ( 0.1796263 -0.2560026 0.3467391), wk = 0.0029940 k( 120) = ( 0.1718165 -0.2448720 0.3467391), wk = 0.0029940 k( 121) = ( 0.1640066 -0.2337415 0.3467391), wk = 0.0029940 k( 122) = ( 0.1561968 -0.2226109 0.3467391), wk = 0.0029940 k( 123) = ( 0.1483869 -0.2114804 0.3467391), wk = 0.0029940 k( 124) = ( 0.1405771 -0.2003498 0.3467391), wk = 0.0029940 k( 125) = ( 0.1327673 -0.1892193 0.3467391), wk = 0.0029940 k( 126) = ( 0.1249574 -0.1780887 0.3467391), wk = 0.0029940 k( 127) = ( 0.1171476 -0.1669582 0.3467391), wk = 0.0029940 k( 128) = ( 0.1093377 -0.1558276 0.3467391), wk = 0.0029940 k( 129) = ( 0.1015279 -0.1446971 0.3467391), wk = 0.0029940 k( 130) = ( 0.0937181 -0.1335666 0.3467391), wk = 0.0029940 k( 131) = ( 0.0859082 -0.1224360 0.3467391), wk = 0.0029940 k( 132) = ( 0.0780984 -0.1113055 0.3467391), wk = 0.0029940 k( 133) = ( 0.0702886 -0.1001749 0.3467391), wk = 0.0029940 k( 134) = ( 0.0624787 -0.0890444 0.3467391), wk = 0.0029940 k( 135) = ( 0.0546689 -0.0779138 0.3467391), wk = 0.0029940 k( 136) = ( 0.0468590 -0.0667833 0.3467391), wk = 0.0029940 k( 137) = ( 0.0390492 -0.0556527 0.3467391), wk = 0.0029940 k( 138) = ( 0.0312394 -0.0445222 0.3467391), wk = 0.0029940 k( 139) = ( 0.0234295 -0.0333916 0.3467391), wk = 0.0029940 k( 140) = ( 0.0156197 -0.0222611 0.3467391), wk = 0.0029940 k( 141) = ( 0.0078098 -0.0111305 0.3467391), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.3467391), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.3467391), wk = 0.0029940 k( 144) = ( 0.0112128 0.0078676 0.3467391), wk = 0.0029940 k( 145) = ( 0.0224257 0.0157352 0.3467391), wk = 0.0029940 k( 146) = ( 0.0336386 0.0236028 0.3467391), wk = 0.0029940 k( 147) = ( 0.0448514 0.0314704 0.3467391), wk = 0.0029940 k( 148) = ( 0.0560643 0.0393379 0.3467391), wk = 0.0029940 k( 149) = ( 0.0672771 0.0472055 0.3467391), wk = 0.0029940 k( 150) = ( 0.0784900 0.0550731 0.3467391), wk = 0.0029940 k( 151) = ( 0.0897028 0.0629407 0.3467391), wk = 0.0029940 k( 152) = ( 0.1009157 0.0708083 0.3467391), wk = 0.0029940 k( 153) = ( 0.1121285 0.0786759 0.3467391), wk = 0.0029940 k( 154) = ( 0.1233414 0.0865435 0.3467391), wk = 0.0029940 k( 155) = ( 0.1345542 0.0944111 0.3467391), wk = 0.0029940 k( 156) = ( 0.1457671 0.1022787 0.3467391), wk = 0.0029940 k( 157) = ( 0.1569799 0.1101463 0.3467391), wk = 0.0029940 k( 158) = ( 0.1681928 0.1180138 0.3467391), wk = 0.0029940 k( 159) = ( 0.1794056 0.1258814 0.3467391), wk = 0.0029940 k( 160) = ( 0.1906185 0.1337490 0.3467391), wk = 0.0029940 k( 161) = ( 0.2018313 0.1416166 0.3467391), wk = 0.0029940 k( 162) = ( 0.2130442 0.1494842 0.3467391), wk = 0.0029940 k( 163) = ( 0.2242570 0.1573518 0.3467391), wk = 0.0029940 k( 164) = ( 0.2354699 0.1652194 0.3467391), wk = 0.0029940 k( 165) = ( 0.2466828 0.1730870 0.3467391), wk = 0.0029940 k( 166) = ( 0.2578956 0.1809546 0.3467391), wk = 0.0029940 k( 167) = ( 0.2691084 0.1888222 0.3467391), wk = 0.0029940 k( 168) = ( 0.2803213 0.1966897 0.3467391), wk = 0.0029940 k( 169) = ( 0.2915342 0.2045573 0.3467391), wk = 0.0029940 k( 170) = ( 0.3027470 0.2124249 0.3467391), wk = 0.0029940 k( 171) = ( 0.3139599 0.2202925 0.3467391), wk = 0.0029940 k( 172) = ( 0.3251727 0.2281601 0.3467391), wk = 0.0029940 k( 173) = ( 0.3363856 0.2360277 0.3467391), wk = 0.0029940 k( 174) = ( 0.3475984 0.2438953 0.3467391), wk = 0.0029940 k( 175) = ( 0.3588113 0.2517629 0.3467391), wk = 0.0029940 k( 176) = ( 0.3700241 0.2596305 0.3467391), wk = 0.0029940 k( 177) = ( 0.3812370 0.2674981 0.3467391), wk = 0.0029940 k( 178) = ( 0.3924498 0.2753657 0.3467391), wk = 0.0029940 k( 179) = ( 0.4036627 0.2832332 0.3467391), wk = 0.0029940 k( 180) = ( 0.4148755 0.2911008 0.3467391), wk = 0.0029940 k( 181) = ( 0.4260884 0.2989684 0.3467391), wk = 0.0029940 k( 182) = ( 0.4373012 0.3068360 0.3467391), wk = 0.0029940 k( 183) = ( 0.4485141 0.3147036 0.3467391), wk = 0.0029940 k( 184) = ( 0.4597269 0.3225712 0.3467391), wk = 0.0029940 k( 185) = ( 0.5000000 0.3508291 -0.1707693), wk = 0.0029940 k( 186) = ( 0.5078199 0.3396843 -0.1707693), wk = 0.0029940 k( 187) = ( 0.5156398 0.3285394 -0.1707693), wk = 0.0029940 k( 188) = ( 0.5234596 0.3173945 -0.1707693), wk = 0.0029940 k( 189) = ( 0.5312795 0.3062497 -0.1707693), wk = 0.0029940 k( 190) = ( 0.5390994 0.2951048 -0.1707693), wk = 0.0029940 k( 191) = ( 0.5469193 0.2839600 -0.1707693), wk = 0.0029940 k( 192) = ( 0.5547392 0.2728151 -0.1707693), wk = 0.0029940 k( 193) = ( 0.5625590 0.2616703 -0.1707693), wk = 0.0029940 k( 194) = ( 0.5703789 0.2505254 -0.1707693), wk = 0.0029940 k( 195) = ( 0.5781988 0.2393805 -0.1707693), wk = 0.0029940 k( 196) = ( 0.5860187 0.2282357 -0.1707693), wk = 0.0029940 k( 197) = ( 0.5938386 0.2170908 -0.1707693), wk = 0.0029940 k( 198) = ( 0.6016584 0.2059460 -0.1707693), wk = 0.0029940 k( 199) = ( 0.6094783 0.1948011 -0.1707693), wk = 0.0029940 k( 200) = ( 0.6172982 0.1836563 -0.1707693), wk = 0.0029940 k( 201) = ( 0.3827018 -0.5454248 0.0000000), wk = 0.0029940 k( 202) = ( 0.3748916 -0.5342937 -0.0000000), wk = 0.0029940 k( 203) = ( 0.3670813 -0.5231625 -0.0000000), wk = 0.0029940 k( 204) = ( 0.3592711 -0.5120314 -0.0000000), wk = 0.0029940 k( 205) = ( 0.3514608 -0.5009003 -0.0000000), wk = 0.0029940 k( 206) = ( 0.3436506 -0.4897692 -0.0000000), wk = 0.0029940 k( 207) = ( 0.3358404 -0.4786381 -0.0000000), wk = 0.0029940 k( 208) = ( 0.3280301 -0.4675070 -0.0000000), wk = 0.0029940 k( 209) = ( 0.3202199 -0.4563758 -0.0000000), wk = 0.0029940 k( 210) = ( 0.3124096 -0.4452447 -0.0000000), wk = 0.0029940 k( 211) = ( 0.3045994 -0.4341136 -0.0000000), wk = 0.0029940 k( 212) = ( 0.2967891 -0.4229825 -0.0000000), wk = 0.0029940 k( 213) = ( 0.2889789 -0.4118514 -0.0000000), wk = 0.0029940 k( 214) = ( 0.2811687 -0.4007202 -0.0000000), wk = 0.0029940 k( 215) = ( 0.2733584 -0.3895891 -0.0000000), wk = 0.0029940 k( 216) = ( 0.2655482 -0.3784580 -0.0000000), wk = 0.0029940 k( 217) = ( 0.2577379 -0.3673269 -0.0000000), wk = 0.0029940 k( 218) = ( 0.2499277 -0.3561958 -0.0000000), wk = 0.0029940 k( 219) = ( 0.2421175 -0.3450647 -0.0000000), wk = 0.0029940 k( 220) = ( 0.2343072 -0.3339335 -0.0000000), wk = 0.0029940 k( 221) = ( 0.2264970 -0.3228024 0.0000000), wk = 0.0029940 k( 222) = ( 0.2186867 -0.3116713 -0.0000000), wk = 0.0029940 k( 223) = ( 0.2108765 -0.3005402 -0.0000000), wk = 0.0029940 k( 224) = ( 0.2030663 -0.2894091 -0.0000000), wk = 0.0029940 k( 225) = ( 0.1952560 -0.2782780 -0.0000000), wk = 0.0029940 k( 226) = ( 0.1874458 -0.2671468 -0.0000000), wk = 0.0029940 k( 227) = ( 0.1796355 -0.2560157 -0.0000000), wk = 0.0029940 k( 228) = ( 0.1718253 -0.2448846 -0.0000000), wk = 0.0029940 k( 229) = ( 0.1640150 -0.2337535 -0.0000000), wk = 0.0029940 k( 230) = ( 0.1562048 -0.2226224 -0.0000000), wk = 0.0029940 k( 231) = ( 0.1483946 -0.2114912 -0.0000000), wk = 0.0029940 k( 232) = ( 0.1405843 -0.2003601 -0.0000000), wk = 0.0029940 k( 233) = ( 0.1327741 -0.1892290 -0.0000000), wk = 0.0029940 k( 234) = ( 0.1249639 -0.1780979 -0.0000000), wk = 0.0029940 k( 235) = ( 0.1171536 -0.1669668 -0.0000000), wk = 0.0029940 k( 236) = ( 0.1093434 -0.1558357 -0.0000000), wk = 0.0029940 k( 237) = ( 0.1015331 -0.1447045 -0.0000000), wk = 0.0029940 k( 238) = ( 0.0937229 -0.1335734 -0.0000000), wk = 0.0029940 k( 239) = ( 0.0859126 -0.1224423 -0.0000000), wk = 0.0029940 k( 240) = ( 0.0781024 -0.1113112 -0.0000000), wk = 0.0029940 k( 241) = ( 0.0702922 -0.1001801 -0.0000000), wk = 0.0029940 k( 242) = ( 0.0624819 -0.0890489 -0.0000000), wk = 0.0029940 k( 243) = ( 0.0546717 -0.0779178 -0.0000000), wk = 0.0029940 k( 244) = ( 0.0468614 -0.0667867 -0.0000000), wk = 0.0029940 k( 245) = ( 0.0390512 -0.0556556 -0.0000000), wk = 0.0029940 k( 246) = ( 0.0312410 -0.0445245 -0.0000000), wk = 0.0029940 k( 247) = ( 0.0234307 -0.0333934 -0.0000000), wk = 0.0029940 k( 248) = ( 0.0156205 -0.0222622 -0.0000000), wk = 0.0029940 k( 249) = ( 0.0078102 -0.0111311 -0.0000000), wk = 0.0029940 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 252) = ( 0.0128205 -0.0046381 -0.0021893), wk = 0.0029940 k( 253) = ( 0.0256410 -0.0092761 -0.0043787), wk = 0.0029940 k( 254) = ( 0.0384615 -0.0139142 -0.0065680), wk = 0.0029940 k( 255) = ( 0.0512821 -0.0185522 -0.0087574), wk = 0.0029940 k( 256) = ( 0.0641026 -0.0231903 -0.0109467), wk = 0.0029940 k( 257) = ( 0.0769231 -0.0278283 -0.0131361), wk = 0.0029940 k( 258) = ( 0.0897436 -0.0324664 -0.0153254), wk = 0.0029940 k( 259) = ( 0.1025641 -0.0371045 -0.0175148), wk = 0.0029940 k( 260) = ( 0.1153846 -0.0417425 -0.0197041), wk = 0.0029940 k( 261) = ( 0.1282051 -0.0463806 -0.0218935), wk = 0.0029940 k( 262) = ( 0.1410256 -0.0510186 -0.0240828), wk = 0.0029940 k( 263) = ( 0.1538461 -0.0556567 -0.0262722), wk = 0.0029940 k( 264) = ( 0.1666667 -0.0602948 -0.0284615), wk = 0.0029940 k( 265) = ( 0.1794872 -0.0649328 -0.0306509), wk = 0.0029940 k( 266) = ( 0.1923077 -0.0695709 -0.0328402), wk = 0.0029940 k( 267) = ( 0.2051282 -0.0742089 -0.0350296), wk = 0.0029940 k( 268) = ( 0.2179487 -0.0788470 -0.0372189), wk = 0.0029940 k( 269) = ( 0.2307692 -0.0834850 -0.0394083), wk = 0.0029940 k( 270) = ( 0.2435897 -0.0881231 -0.0415976), wk = 0.0029940 k( 271) = ( 0.2564103 -0.0927612 -0.0437870), wk = 0.0029940 k( 272) = ( 0.2692308 -0.0973992 -0.0459763), wk = 0.0029940 k( 273) = ( 0.2820513 -0.1020373 -0.0481657), wk = 0.0029940 k( 274) = ( 0.2948718 -0.1066753 -0.0503550), wk = 0.0029940 k( 275) = ( 0.3076923 -0.1113134 -0.0525444), wk = 0.0029940 k( 276) = ( 0.3205128 -0.1159514 -0.0547337), wk = 0.0029940 k( 277) = ( 0.3333333 -0.1205895 -0.0569231), wk = 0.0029940 k( 278) = ( 0.3461538 -0.1252276 -0.0591124), wk = 0.0029940 k( 279) = ( 0.3589744 -0.1298656 -0.0613018), wk = 0.0029940 k( 280) = ( 0.3717949 -0.1345037 -0.0634911), wk = 0.0029940 k( 281) = ( 0.3846154 -0.1391417 -0.0656805), wk = 0.0029940 k( 282) = ( 0.3974359 -0.1437798 -0.0678698), wk = 0.0029940 k( 283) = ( 0.4102564 -0.1484179 -0.0700592), wk = 0.0029940 k( 284) = ( 0.4230769 -0.1530559 -0.0722485), wk = 0.0029940 k( 285) = ( 0.4358974 -0.1576940 -0.0744379), wk = 0.0029940 k( 286) = ( 0.4487179 -0.1623320 -0.0766272), wk = 0.0029940 k( 287) = ( 0.4615385 -0.1669701 -0.0788166), wk = 0.0029940 k( 288) = ( 0.4743590 -0.1716081 -0.0810059), wk = 0.0029940 k( 289) = ( 0.4871795 -0.1762462 -0.0831953), wk = 0.0029940 k( 290) = ( 0.5000000 -0.1808843 -0.0853846), wk = 0.0029940 k( 291) = ( 0.5000000 -0.1808843 0.2613544), wk = 0.0029940 k( 292) = ( 0.4883721 -0.1766776 0.2552764), wk = 0.0029940 k( 293) = ( 0.4767442 -0.1724710 0.2491984), wk = 0.0029940 k( 294) = ( 0.4651163 -0.1682644 0.2431204), wk = 0.0029940 k( 295) = ( 0.4534884 -0.1640578 0.2370424), wk = 0.0029940 k( 296) = ( 0.4418605 -0.1598512 0.2309644), wk = 0.0029940 k( 297) = ( 0.4302326 -0.1556446 0.2248864), wk = 0.0029940 k( 298) = ( 0.4186047 -0.1514380 0.2188083), wk = 0.0029940 k( 299) = ( 0.4069767 -0.1472314 0.2127303), wk = 0.0029940 k( 300) = ( 0.3953488 -0.1430248 0.2066523), wk = 0.0029940 k( 301) = ( 0.3837209 -0.1388182 0.2005743), wk = 0.0029940 k( 302) = ( 0.3720930 -0.1346115 0.1944963), wk = 0.0029940 k( 303) = ( 0.3604651 -0.1304049 0.1884183), wk = 0.0029940 k( 304) = ( 0.3488372 -0.1261983 0.1823403), wk = 0.0029940 k( 305) = ( 0.3372093 -0.1219917 0.1762623), wk = 0.0029940 k( 306) = ( 0.3255814 -0.1177851 0.1701843), wk = 0.0029940 k( 307) = ( 0.3139535 -0.1135785 0.1641063), wk = 0.0029940 k( 308) = ( 0.3023256 -0.1093719 0.1580282), wk = 0.0029940 k( 309) = ( 0.2906977 -0.1051653 0.1519502), wk = 0.0029940 k( 310) = ( 0.2790698 -0.1009587 0.1458722), wk = 0.0029940 k( 311) = ( 0.2674419 -0.0967520 0.1397942), wk = 0.0029940 k( 312) = ( 0.2558140 -0.0925454 0.1337162), wk = 0.0029940 k( 313) = ( 0.2441860 -0.0883388 0.1276382), wk = 0.0029940 k( 314) = ( 0.2325581 -0.0841322 0.1215602), wk = 0.0029940 k( 315) = ( 0.2209302 -0.0799256 0.1154822), wk = 0.0029940 k( 316) = ( 0.2093023 -0.0757190 0.1094042), wk = 0.0029940 k( 317) = ( 0.1976744 -0.0715124 0.1033262), wk = 0.0029940 k( 318) = ( 0.1860465 -0.0673058 0.0972482), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0630992 0.0911701), wk = 0.0029940 k( 320) = ( 0.1627907 -0.0588926 0.0850921), wk = 0.0029940 k( 321) = ( 0.1511628 -0.0546859 0.0790141), wk = 0.0029940 k( 322) = ( 0.1395349 -0.0504793 0.0729361), wk = 0.0029940 k( 323) = ( 0.1279070 -0.0462727 0.0668581), wk = 0.0029940 k( 324) = ( 0.1162791 -0.0420661 0.0607801), wk = 0.0029940 k( 325) = ( 0.1046512 -0.0378595 0.0547021), wk = 0.0029940 k( 326) = ( 0.0930233 -0.0336529 0.0486241), wk = 0.0029940 k( 327) = ( 0.0813954 -0.0294463 0.0425461), wk = 0.0029940 k( 328) = ( 0.0697674 -0.0252397 0.0364681), wk = 0.0029940 k( 329) = ( 0.0581395 -0.0210331 0.0303900), wk = 0.0029940 k( 330) = ( 0.0465116 -0.0168264 0.0243120), wk = 0.0029940 k( 331) = ( 0.0348837 -0.0126198 0.0182340), wk = 0.0029940 k( 332) = ( 0.0232558 -0.0084132 0.0121560), wk = 0.0029940 k( 333) = ( 0.0116279 -0.0042066 0.0060780), wk = 0.0029940 k( 334) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 2) = ( 0.0108696 0.0108696 0.0000000), wk = 0.0029940 k( 3) = ( 0.0217391 0.0217391 0.0000000), wk = 0.0029940 k( 4) = ( 0.0326087 0.0326087 0.0000000), wk = 0.0029940 k( 5) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0029940 k( 6) = ( 0.0543478 0.0543478 -0.0000000), wk = 0.0029940 k( 7) = ( 0.0652174 0.0652174 0.0000000), wk = 0.0029940 k( 8) = ( 0.0760870 0.0760870 0.0000000), wk = 0.0029940 k( 9) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0029940 k( 10) = ( 0.0978261 0.0978261 -0.0000000), wk = 0.0029940 k( 11) = ( 0.1086957 0.1086957 0.0000000), wk = 0.0029940 k( 12) = ( 0.1195652 0.1195652 0.0000000), wk = 0.0029940 k( 13) = ( 0.1304348 0.1304348 0.0000000), wk = 0.0029940 k( 14) = ( 0.1413043 0.1413043 0.0000000), wk = 0.0029940 k( 15) = ( 0.1521739 0.1521739 0.0000000), wk = 0.0029940 k( 16) = ( 0.1630435 0.1630435 0.0000000), wk = 0.0029940 k( 17) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0029940 k( 18) = ( 0.1847826 0.1847826 -0.0000000), wk = 0.0029940 k( 19) = ( 0.1956522 0.1956522 0.0000000), wk = 0.0029940 k( 20) = ( 0.2065217 0.2065217 0.0000000), wk = 0.0029940 k( 21) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0029940 k( 22) = ( 0.2282609 0.2282609 0.0000000), wk = 0.0029940 k( 23) = ( 0.2391304 0.2391304 0.0000000), wk = 0.0029940 k( 24) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0029940 k( 25) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0029940 k( 26) = ( 0.2717391 0.2717391 0.0000000), wk = 0.0029940 k( 27) = ( 0.2826087 0.2826087 0.0000000), wk = 0.0029940 k( 28) = ( 0.2934783 0.2934783 0.0000000), wk = 0.0029940 k( 29) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0029940 k( 30) = ( 0.3152174 0.3152174 0.0000000), wk = 0.0029940 k( 31) = ( 0.3260870 0.3260870 0.0000000), wk = 0.0029940 k( 32) = ( 0.3369565 0.3369565 0.0000000), wk = 0.0029940 k( 33) = ( 0.3478261 0.3478261 0.0000000), wk = 0.0029940 k( 34) = ( 0.3586956 0.3586957 0.0000000), wk = 0.0029940 k( 35) = ( 0.3695652 0.3695652 -0.0000000), wk = 0.0029940 k( 36) = ( 0.3804348 0.3804348 0.0000000), wk = 0.0029940 k( 37) = ( 0.3913044 0.3913043 -0.0000000), wk = 0.0029940 k( 38) = ( 0.4021739 0.4021739 0.0000000), wk = 0.0029940 k( 39) = ( 0.4130435 0.4130435 0.0000000), wk = 0.0029940 k( 40) = ( 0.4239130 0.4239130 0.0000000), wk = 0.0029940 k( 41) = ( 0.4347826 0.4347826 0.0000000), wk = 0.0029940 k( 42) = ( 0.4456522 0.4456522 0.0000000), wk = 0.0029940 k( 43) = ( 0.4565217 0.4565217 0.0000000), wk = 0.0029940 k( 44) = ( 0.4673913 0.4673913 -0.0000000), wk = 0.0029940 k( 45) = ( 0.4782609 0.4782609 0.0000000), wk = 0.0029940 k( 46) = ( 0.4891304 0.4891304 0.0000000), wk = 0.0029940 k( 47) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 48) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 49) = ( 0.5028767 0.5028767 0.0195417), wk = 0.0029940 k( 50) = ( 0.5057533 0.5057533 0.0390834), wk = 0.0029940 k( 51) = ( 0.5086299 0.5086299 0.0586252), wk = 0.0029940 k( 52) = ( 0.5115066 0.5115066 0.0781669), wk = 0.0029940 k( 53) = ( 0.5143832 0.5143832 0.0977086), wk = 0.0029940 k( 54) = ( 0.5172599 0.5172599 0.1172503), wk = 0.0029940 k( 55) = ( 0.5201365 0.5201365 0.1367920), wk = 0.0029940 k( 56) = ( 0.5230132 0.5230132 0.1563338), wk = 0.0029940 k( 57) = ( 0.5258898 0.5258898 0.1758755), wk = 0.0029940 k( 58) = ( 0.5287665 0.5287665 0.1954172), wk = 0.0029940 k( 59) = ( 0.5316431 0.5316431 0.2149589), wk = 0.0029940 k( 60) = ( 0.5345198 0.5345198 0.2345006), wk = 0.0029940 k( 61) = ( 0.5373964 0.5373964 0.2540424), wk = 0.0029940 k( 62) = ( 0.5402731 0.5402731 0.2735841), wk = 0.0029940 k( 63) = ( 0.5402731 0.5402731 0.2735841), wk = 0.0029940 k( 64) = ( 0.5371751 0.5371751 0.2910007), wk = 0.0029940 k( 65) = ( 0.5340772 0.5340772 0.3084173), wk = 0.0029940 k( 66) = ( 0.5309793 0.5309793 0.3258339), wk = 0.0029940 k( 67) = ( 0.5278814 0.5278814 0.3432505), wk = 0.0029940 k( 68) = ( 0.5247834 0.5247834 0.3606671), wk = 0.0029940 k( 69) = ( 0.5216855 0.5216855 0.3780837), wk = 0.0029940 k( 70) = ( 0.5185876 0.5185876 0.3955003), wk = 0.0029940 k( 71) = ( 0.5154896 0.5154896 0.4129170), wk = 0.0029940 k( 72) = ( 0.5123917 0.5123917 0.4303336), wk = 0.0029940 k( 73) = ( 0.5092938 0.5092938 0.4477502), wk = 0.0029940 k( 74) = ( 0.5061959 0.5061959 0.4651668), wk = 0.0029940 k( 75) = ( 0.5030979 0.5030979 0.4825834), wk = 0.0029940 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 77) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0029940 k( 78) = ( 0.5078183 0.4921817 0.5000000), wk = 0.0029940 k( 79) = ( 0.5156367 0.4843633 0.5000000), wk = 0.0029940 k( 80) = ( 0.5234551 0.4765449 0.5000000), wk = 0.0029940 k( 81) = ( 0.5312734 0.4687266 0.5000000), wk = 0.0029940 k( 82) = ( 0.5390918 0.4609082 0.5000000), wk = 0.0029940 k( 83) = ( 0.5469101 0.4530899 0.5000000), wk = 0.0029940 k( 84) = ( 0.5547285 0.4452715 0.5000000), wk = 0.0029940 k( 85) = ( 0.5625468 0.4374532 0.5000000), wk = 0.0029940 k( 86) = ( 0.5703652 0.4296348 0.5000000), wk = 0.0029940 k( 87) = ( 0.5781835 0.4218165 0.5000000), wk = 0.0029940 k( 88) = ( 0.5860019 0.4139981 0.5000000), wk = 0.0029940 k( 89) = ( 0.5938202 0.4061798 0.5000000), wk = 0.0029940 k( 90) = ( 0.6016386 0.3983614 0.5000000), wk = 0.0029940 k( 91) = ( 0.6094569 0.3905431 0.5000000), wk = 0.0029940 k( 92) = ( 0.6172753 0.3827247 0.5000000), wk = 0.0029940 k( 93) = ( 0.6250936 0.3749064 0.5000000), wk = 0.0029940 k( 94) = ( 0.6329120 0.3670880 0.5000000), wk = 0.0029940 k( 95) = ( 0.6407304 0.3592696 0.5000000), wk = 0.0029940 k( 96) = ( 0.6485487 0.3514513 0.5000000), wk = 0.0029940 k( 97) = ( 0.6563671 0.3436329 0.5000000), wk = 0.0029940 k( 98) = ( 0.3436329 -0.3436329 0.5000000), wk = 0.0029940 k( 99) = ( 0.3358231 -0.3358231 0.5000000), wk = 0.0029940 k( 100) = ( 0.3280133 -0.3280133 0.5000000), wk = 0.0029940 k( 101) = ( 0.3202034 -0.3202034 0.5000000), wk = 0.0029940 k( 102) = ( 0.3123936 -0.3123936 0.5000000), wk = 0.0029940 k( 103) = ( 0.3045837 -0.3045837 0.5000000), wk = 0.0029940 k( 104) = ( 0.2967739 -0.2967739 0.5000000), wk = 0.0029940 k( 105) = ( 0.2889641 -0.2889641 0.5000000), wk = 0.0029940 k( 106) = ( 0.2811542 -0.2811542 0.5000000), wk = 0.0029940 k( 107) = ( 0.2733444 -0.2733444 0.5000000), wk = 0.0029940 k( 108) = ( 0.2655345 -0.2655346 0.5000000), wk = 0.0029940 k( 109) = ( 0.2577247 -0.2577247 0.5000000), wk = 0.0029940 k( 110) = ( 0.2499149 -0.2499149 0.5000000), wk = 0.0029940 k( 111) = ( 0.2421050 -0.2421050 0.5000000), wk = 0.0029940 k( 112) = ( 0.2342952 -0.2342952 0.5000000), wk = 0.0029940 k( 113) = ( 0.2264854 -0.2264854 0.5000000), wk = 0.0029940 k( 114) = ( 0.2186755 -0.2186755 0.5000000), wk = 0.0029940 k( 115) = ( 0.2108657 -0.2108657 0.5000000), wk = 0.0029940 k( 116) = ( 0.2030558 -0.2030558 0.5000000), wk = 0.0029940 k( 117) = ( 0.1952460 -0.1952460 0.5000000), wk = 0.0029940 k( 118) = ( 0.1874361 -0.1874362 0.5000000), wk = 0.0029940 k( 119) = ( 0.1796263 -0.1796263 0.5000000), wk = 0.0029940 k( 120) = ( 0.1718165 -0.1718165 0.5000000), wk = 0.0029940 k( 121) = ( 0.1640066 -0.1640066 0.5000000), wk = 0.0029940 k( 122) = ( 0.1561968 -0.1561968 0.5000000), wk = 0.0029940 k( 123) = ( 0.1483869 -0.1483870 0.5000000), wk = 0.0029940 k( 124) = ( 0.1405771 -0.1405771 0.5000000), wk = 0.0029940 k( 125) = ( 0.1327673 -0.1327673 0.5000000), wk = 0.0029940 k( 126) = ( 0.1249574 -0.1249574 0.5000000), wk = 0.0029940 k( 127) = ( 0.1171476 -0.1171476 0.5000000), wk = 0.0029940 k( 128) = ( 0.1093377 -0.1093378 0.5000000), wk = 0.0029940 k( 129) = ( 0.1015279 -0.1015279 0.5000000), wk = 0.0029940 k( 130) = ( 0.0937181 -0.0937181 0.5000000), wk = 0.0029940 k( 131) = ( 0.0859082 -0.0859082 0.5000000), wk = 0.0029940 k( 132) = ( 0.0780984 -0.0780984 0.5000000), wk = 0.0029940 k( 133) = ( 0.0702886 -0.0702886 0.5000000), wk = 0.0029940 k( 134) = ( 0.0624787 -0.0624787 0.5000000), wk = 0.0029940 k( 135) = ( 0.0546689 -0.0546689 0.5000000), wk = 0.0029940 k( 136) = ( 0.0468590 -0.0468590 0.5000000), wk = 0.0029940 k( 137) = ( 0.0390492 -0.0390492 0.5000000), wk = 0.0029940 k( 138) = ( 0.0312394 -0.0312394 0.5000000), wk = 0.0029940 k( 139) = ( 0.0234295 -0.0234295 0.5000000), wk = 0.0029940 k( 140) = ( 0.0156197 -0.0156197 0.5000000), wk = 0.0029940 k( 141) = ( 0.0078098 -0.0078098 0.5000000), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029940 k( 144) = ( 0.0112128 0.0112128 0.5055223), wk = 0.0029940 k( 145) = ( 0.0224257 0.0224257 0.5110447), wk = 0.0029940 k( 146) = ( 0.0336386 0.0336386 0.5165670), wk = 0.0029940 k( 147) = ( 0.0448514 0.0448514 0.5220894), wk = 0.0029940 k( 148) = ( 0.0560643 0.0560643 0.5276117), wk = 0.0029940 k( 149) = ( 0.0672771 0.0672771 0.5331340), wk = 0.0029940 k( 150) = ( 0.0784900 0.0784900 0.5386564), wk = 0.0029940 k( 151) = ( 0.0897028 0.0897028 0.5441787), wk = 0.0029940 k( 152) = ( 0.1009157 0.1009157 0.5497011), wk = 0.0029940 k( 153) = ( 0.1121285 0.1121285 0.5552234), wk = 0.0029940 k( 154) = ( 0.1233414 0.1233414 0.5607457), wk = 0.0029940 k( 155) = ( 0.1345542 0.1345542 0.5662681), wk = 0.0029940 k( 156) = ( 0.1457671 0.1457671 0.5717904), wk = 0.0029940 k( 157) = ( 0.1569799 0.1569799 0.5773128), wk = 0.0029940 k( 158) = ( 0.1681928 0.1681928 0.5828351), wk = 0.0029940 k( 159) = ( 0.1794056 0.1794056 0.5883574), wk = 0.0029940 k( 160) = ( 0.1906185 0.1906185 0.5938798), wk = 0.0029940 k( 161) = ( 0.2018313 0.2018313 0.5994021), wk = 0.0029940 k( 162) = ( 0.2130442 0.2130442 0.6049244), wk = 0.0029940 k( 163) = ( 0.2242570 0.2242570 0.6104468), wk = 0.0029940 k( 164) = ( 0.2354699 0.2354699 0.6159691), wk = 0.0029940 k( 165) = ( 0.2466828 0.2466828 0.6214915), wk = 0.0029940 k( 166) = ( 0.2578956 0.2578956 0.6270138), wk = 0.0029940 k( 167) = ( 0.2691084 0.2691085 0.6325361), wk = 0.0029940 k( 168) = ( 0.2803213 0.2803213 0.6380585), wk = 0.0029940 k( 169) = ( 0.2915342 0.2915342 0.6435808), wk = 0.0029940 k( 170) = ( 0.3027470 0.3027470 0.6491032), wk = 0.0029940 k( 171) = ( 0.3139599 0.3139599 0.6546255), wk = 0.0029940 k( 172) = ( 0.3251727 0.3251727 0.6601478), wk = 0.0029940 k( 173) = ( 0.3363856 0.3363856 0.6656702), wk = 0.0029940 k( 174) = ( 0.3475984 0.3475984 0.6711925), wk = 0.0029940 k( 175) = ( 0.3588113 0.3588113 0.6767149), wk = 0.0029940 k( 176) = ( 0.3700241 0.3700241 0.6822372), wk = 0.0029940 k( 177) = ( 0.3812370 0.3812370 0.6877595), wk = 0.0029940 k( 178) = ( 0.3924498 0.3924498 0.6932819), wk = 0.0029940 k( 179) = ( 0.4036627 0.4036627 0.6988042), wk = 0.0029940 k( 180) = ( 0.4148755 0.4148755 0.7043266), wk = 0.0029940 k( 181) = ( 0.4260884 0.4260884 0.7098489), wk = 0.0029940 k( 182) = ( 0.4373012 0.4373012 0.7153712), wk = 0.0029940 k( 183) = ( 0.4485141 0.4485141 0.7208936), wk = 0.0029940 k( 184) = ( 0.4597269 0.4597269 0.7264159), wk = 0.0029940 k( 185) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0029940 k( 186) = ( 0.5078199 0.4921801 0.0000000), wk = 0.0029940 k( 187) = ( 0.5156398 0.4843602 0.0000000), wk = 0.0029940 k( 188) = ( 0.5234596 0.4765404 0.0000000), wk = 0.0029940 k( 189) = ( 0.5312795 0.4687205 0.0000000), wk = 0.0029940 k( 190) = ( 0.5390994 0.4609006 0.0000000), wk = 0.0029940 k( 191) = ( 0.5469193 0.4530807 0.0000000), wk = 0.0029940 k( 192) = ( 0.5547392 0.4452608 0.0000000), wk = 0.0029940 k( 193) = ( 0.5625590 0.4374410 0.0000000), wk = 0.0029940 k( 194) = ( 0.5703789 0.4296211 0.0000000), wk = 0.0029940 k( 195) = ( 0.5781988 0.4218012 0.0000000), wk = 0.0029940 k( 196) = ( 0.5860187 0.4139813 0.0000000), wk = 0.0029940 k( 197) = ( 0.5938386 0.4061614 0.0000000), wk = 0.0029940 k( 198) = ( 0.6016584 0.3983416 0.0000000), wk = 0.0029940 k( 199) = ( 0.6094783 0.3905217 0.0000000), wk = 0.0029940 k( 200) = ( 0.6172982 0.3827018 0.0000000), wk = 0.0029940 k( 201) = ( 0.3827018 -0.3827018 0.0000000), wk = 0.0029940 k( 202) = ( 0.3748916 -0.3748916 -0.0000000), wk = 0.0029940 k( 203) = ( 0.3670813 -0.3670813 -0.0000000), wk = 0.0029940 k( 204) = ( 0.3592711 -0.3592711 -0.0000000), wk = 0.0029940 k( 205) = ( 0.3514608 -0.3514608 -0.0000000), wk = 0.0029940 k( 206) = ( 0.3436506 -0.3436506 0.0000000), wk = 0.0029940 k( 207) = ( 0.3358404 -0.3358404 -0.0000000), wk = 0.0029940 k( 208) = ( 0.3280301 -0.3280301 0.0000000), wk = 0.0029940 k( 209) = ( 0.3202199 -0.3202199 -0.0000000), wk = 0.0029940 k( 210) = ( 0.3124096 -0.3124096 -0.0000000), wk = 0.0029940 k( 211) = ( 0.3045994 -0.3045994 -0.0000000), wk = 0.0029940 k( 212) = ( 0.2967891 -0.2967891 0.0000000), wk = 0.0029940 k( 213) = ( 0.2889789 -0.2889789 0.0000000), wk = 0.0029940 k( 214) = ( 0.2811687 -0.2811687 0.0000000), wk = 0.0029940 k( 215) = ( 0.2733584 -0.2733584 -0.0000000), wk = 0.0029940 k( 216) = ( 0.2655482 -0.2655482 0.0000000), wk = 0.0029940 k( 217) = ( 0.2577379 -0.2577379 0.0000000), wk = 0.0029940 k( 218) = ( 0.2499277 -0.2499277 0.0000000), wk = 0.0029940 k( 219) = ( 0.2421175 -0.2421175 0.0000000), wk = 0.0029940 k( 220) = ( 0.2343072 -0.2343072 -0.0000000), wk = 0.0029940 k( 221) = ( 0.2264970 -0.2264970 0.0000000), wk = 0.0029940 k( 222) = ( 0.2186867 -0.2186867 -0.0000000), wk = 0.0029940 k( 223) = ( 0.2108765 -0.2108765 0.0000000), wk = 0.0029940 k( 224) = ( 0.2030663 -0.2030663 -0.0000000), wk = 0.0029940 k( 225) = ( 0.1952560 -0.1952560 -0.0000000), wk = 0.0029940 k( 226) = ( 0.1874458 -0.1874458 -0.0000000), wk = 0.0029940 k( 227) = ( 0.1796355 -0.1796355 -0.0000000), wk = 0.0029940 k( 228) = ( 0.1718253 -0.1718253 0.0000000), wk = 0.0029940 k( 229) = ( 0.1640150 -0.1640150 0.0000000), wk = 0.0029940 k( 230) = ( 0.1562048 -0.1562048 -0.0000000), wk = 0.0029940 k( 231) = ( 0.1483946 -0.1483946 0.0000000), wk = 0.0029940 k( 232) = ( 0.1405843 -0.1405843 0.0000000), wk = 0.0029940 k( 233) = ( 0.1327741 -0.1327741 0.0000000), wk = 0.0029940 k( 234) = ( 0.1249639 -0.1249638 0.0000000), wk = 0.0029940 k( 235) = ( 0.1171536 -0.1171536 -0.0000000), wk = 0.0029940 k( 236) = ( 0.1093434 -0.1093434 -0.0000000), wk = 0.0029940 k( 237) = ( 0.1015331 -0.1015331 -0.0000000), wk = 0.0029940 k( 238) = ( 0.0937229 -0.0937229 -0.0000000), wk = 0.0029940 k( 239) = ( 0.0859126 -0.0859126 -0.0000000), wk = 0.0029940 k( 240) = ( 0.0781024 -0.0781024 -0.0000000), wk = 0.0029940 k( 241) = ( 0.0702922 -0.0702922 0.0000000), wk = 0.0029940 k( 242) = ( 0.0624819 -0.0624819 -0.0000000), wk = 0.0029940 k( 243) = ( 0.0546717 -0.0546717 -0.0000000), wk = 0.0029940 k( 244) = ( 0.0468614 -0.0468614 0.0000000), wk = 0.0029940 k( 245) = ( 0.0390512 -0.0390512 0.0000000), wk = 0.0029940 k( 246) = ( 0.0312410 -0.0312410 -0.0000000), wk = 0.0029940 k( 247) = ( 0.0234307 -0.0234307 0.0000000), wk = 0.0029940 k( 248) = ( 0.0156205 -0.0156205 -0.0000000), wk = 0.0029940 k( 249) = ( 0.0078102 -0.0078102 -0.0000000), wk = 0.0029940 k( 250) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 251) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 k( 252) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0029940 k( 253) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0029940 k( 254) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0029940 k( 255) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0029940 k( 256) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0029940 k( 257) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0029940 k( 258) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0029940 k( 259) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0029940 k( 260) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0029940 k( 261) = ( 0.1282051 0.0000000 0.0000000), wk = 0.0029940 k( 262) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0029940 k( 263) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0029940 k( 264) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0029940 k( 265) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0029940 k( 266) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0029940 k( 267) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0029940 k( 268) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0029940 k( 269) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0029940 k( 270) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0029940 k( 271) = ( 0.2564103 0.0000000 0.0000000), wk = 0.0029940 k( 272) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0029940 k( 273) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0029940 k( 274) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0029940 k( 275) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0029940 k( 276) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0029940 k( 277) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0029940 k( 278) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0029940 k( 279) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0029940 k( 280) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0029940 k( 281) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0029940 k( 282) = ( 0.3974359 0.0000000 -0.0000000), wk = 0.0029940 k( 283) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0029940 k( 284) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0029940 k( 285) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0029940 k( 286) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0029940 k( 287) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0029940 k( 288) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0029940 k( 289) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0029940 k( 290) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0029940 k( 291) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0029940 k( 292) = ( 0.4883721 0.0000000 0.4883721), wk = 0.0029940 k( 293) = ( 0.4767442 0.0000000 0.4767442), wk = 0.0029940 k( 294) = ( 0.4651163 0.0000000 0.4651163), wk = 0.0029940 k( 295) = ( 0.4534884 0.0000000 0.4534884), wk = 0.0029940 k( 296) = ( 0.4418605 0.0000000 0.4418605), wk = 0.0029940 k( 297) = ( 0.4302326 0.0000000 0.4302326), wk = 0.0029940 k( 298) = ( 0.4186047 0.0000000 0.4186047), wk = 0.0029940 k( 299) = ( 0.4069767 0.0000000 0.4069767), wk = 0.0029940 k( 300) = ( 0.3953488 0.0000000 0.3953488), wk = 0.0029940 k( 301) = ( 0.3837209 0.0000000 0.3837209), wk = 0.0029940 k( 302) = ( 0.3720930 0.0000000 0.3720930), wk = 0.0029940 k( 303) = ( 0.3604651 0.0000000 0.3604651), wk = 0.0029940 k( 304) = ( 0.3488372 0.0000000 0.3488372), wk = 0.0029940 k( 305) = ( 0.3372093 0.0000000 0.3372093), wk = 0.0029940 k( 306) = ( 0.3255814 0.0000000 0.3255814), wk = 0.0029940 k( 307) = ( 0.3139535 0.0000000 0.3139535), wk = 0.0029940 k( 308) = ( 0.3023256 0.0000000 0.3023256), wk = 0.0029940 k( 309) = ( 0.2906977 0.0000000 0.2906977), wk = 0.0029940 k( 310) = ( 0.2790698 0.0000000 0.2790698), wk = 0.0029940 k( 311) = ( 0.2674419 0.0000000 0.2674419), wk = 0.0029940 k( 312) = ( 0.2558140 0.0000000 0.2558140), wk = 0.0029940 k( 313) = ( 0.2441860 0.0000000 0.2441860), wk = 0.0029940 k( 314) = ( 0.2325581 0.0000000 0.2325581), wk = 0.0029940 k( 315) = ( 0.2209302 0.0000000 0.2209302), wk = 0.0029940 k( 316) = ( 0.2093023 0.0000000 0.2093023), wk = 0.0029940 k( 317) = ( 0.1976744 0.0000000 0.1976744), wk = 0.0029940 k( 318) = ( 0.1860465 0.0000000 0.1860465), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0000000 0.1744186), wk = 0.0029940 k( 320) = ( 0.1627907 0.0000000 0.1627907), wk = 0.0029940 k( 321) = ( 0.1511628 0.0000000 0.1511628), wk = 0.0029940 k( 322) = ( 0.1395349 0.0000000 0.1395349), wk = 0.0029940 k( 323) = ( 0.1279070 0.0000000 0.1279070), wk = 0.0029940 k( 324) = ( 0.1162791 0.0000000 0.1162791), wk = 0.0029940 k( 325) = ( 0.1046512 0.0000000 0.1046512), wk = 0.0029940 k( 326) = ( 0.0930233 0.0000000 0.0930233), wk = 0.0029940 k( 327) = ( 0.0813954 0.0000000 0.0813954), wk = 0.0029940 k( 328) = ( 0.0697674 0.0000000 0.0697674), wk = 0.0029940 k( 329) = ( 0.0581395 0.0000000 0.0581395), wk = 0.0029940 k( 330) = ( 0.0465116 0.0000000 0.0465116), wk = 0.0029940 k( 331) = ( 0.0348837 0.0000000 0.0348837), wk = 0.0029940 k( 332) = ( 0.0232558 0.0000000 0.0232558), wk = 0.0029940 k( 333) = ( 0.0116279 0.0000000 0.0116279), wk = 0.0029940 k( 334) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029940 Dense grid: 74363 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32697 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 190, 60) NL pseudopotentials 0.21 Mb ( 95, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1550) G-vector shells 0.01 Mb ( 1550) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 190, 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): 7.428E-05 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 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 44.1 secs Computing kpt #: 3 total cpu time spent up to now is 47.0 secs Computing kpt #: 4 total cpu time spent up to now is 49.8 secs Computing kpt #: 5 total cpu time spent up to now is 53.1 secs Computing kpt #: 6 total cpu time spent up to now is 58.3 secs Computing kpt #: 7 total cpu time spent up to now is 61.3 secs Computing kpt #: 8 total cpu time spent up to now is 64.2 secs Computing kpt #: 9 total cpu time spent up to now is 67.2 secs Computing kpt #: 10 total cpu time spent up to now is 71.5 secs Computing kpt #: 11 total cpu time spent up to now is 76.4 secs Computing kpt #: 12 total cpu time spent up to now is 79.4 secs Computing kpt #: 13 total cpu time spent up to now is 82.5 secs Computing kpt #: 14 total cpu time spent up to now is 85.6 secs Computing kpt #: 15 total cpu time spent up to now is 88.8 secs Computing kpt #: 16 total cpu time spent up to now is 93.8 secs Computing kpt #: 17 total cpu time spent up to now is 96.7 secs Computing kpt #: 18 total cpu time spent up to now is 99.7 secs Computing kpt #: 19 total cpu time spent up to now is 103.7 secs Computing kpt #: 20 total cpu time spent up to now is 108.4 secs Computing kpt #: 21 total cpu time spent up to now is 111.4 secs Computing kpt #: 22 total cpu time spent up to now is 114.4 secs Computing kpt #: 23 total cpu time spent up to now is 117.4 secs Computing kpt #: 24 total cpu time spent up to now is 120.4 secs Computing kpt #: 25 total cpu time spent up to now is 126.6 secs Computing kpt #: 26 total cpu time spent up to now is 129.5 secs Computing kpt #: 27 total cpu time spent up to now is 132.4 secs Computing kpt #: 28 total cpu time spent up to now is 135.3 secs Computing kpt #: 29 total cpu time spent up to now is 138.3 secs Computing kpt #: 30 total cpu time spent up to now is 144.2 secs Computing kpt #: 31 total cpu time spent up to now is 147.7 secs Computing kpt #: 32 total cpu time spent up to now is 150.2 secs Computing kpt #: 33 total cpu time spent up to now is 152.6 secs Computing kpt #: 34 total cpu time spent up to now is 155.3 secs Computing kpt #: 35 total cpu time spent up to now is 157.8 secs Computing kpt #: 36 total cpu time spent up to now is 162.9 secs Computing kpt #: 37 total cpu time spent up to now is 165.5 secs Computing kpt #: 38 total cpu time spent up to now is 168.0 secs Computing kpt #: 39 total cpu time spent up to now is 170.4 secs Computing kpt #: 40 total cpu time spent up to now is 172.7 secs Computing kpt #: 41 total cpu time spent up to now is 175.1 secs Computing kpt #: 42 total cpu time spent up to now is 177.6 secs Computing kpt #: 43 total cpu time spent up to now is 182.5 secs Computing kpt #: 44 total cpu time spent up to now is 184.9 secs Computing kpt #: 45 total cpu time spent up to now is 187.5 secs Computing kpt #: 46 total cpu time spent up to now is 189.9 secs Computing kpt #: 47 total cpu time spent up to now is 192.4 secs Computing kpt #: 48 total cpu time spent up to now is 196.7 secs Computing kpt #: 49 total cpu time spent up to now is 199.1 secs Computing kpt #: 50 total cpu time spent up to now is 201.6 secs Computing kpt #: 51 total cpu time spent up to now is 204.1 secs Computing kpt #: 52 total cpu time spent up to now is 206.5 secs Computing kpt #: 53 total cpu time spent up to now is 211.4 secs Computing kpt #: 54 total cpu time spent up to now is 214.0 secs Computing kpt #: 55 total cpu time spent up to now is 216.4 secs Computing kpt #: 56 total cpu time spent up to now is 218.7 secs Computing kpt #: 57 total cpu time spent up to now is 221.2 secs Computing kpt #: 58 total cpu time spent up to now is 223.7 secs Computing kpt #: 59 total cpu time spent up to now is 228.6 secs Computing kpt #: 60 total cpu time spent up to now is 231.1 secs Computing kpt #: 61 total cpu time spent up to now is 233.5 secs Computing kpt #: 62 total cpu time spent up to now is 235.9 secs Computing kpt #: 63 total cpu time spent up to now is 238.3 secs Computing kpt #: 64 total cpu time spent up to now is 240.8 secs Computing kpt #: 65 total cpu time spent up to now is 245.7 secs Computing kpt #: 66 total cpu time spent up to now is 248.8 secs Computing kpt #: 67 total cpu time spent up to now is 251.4 secs Computing kpt #: 68 total cpu time spent up to now is 253.9 secs Computing kpt #: 69 total cpu time spent up to now is 256.4 secs Computing kpt #: 70 total cpu time spent up to now is 258.8 secs Computing kpt #: 71 total cpu time spent up to now is 261.2 secs Computing kpt #: 72 total cpu time spent up to now is 264.1 secs Computing kpt #: 73 total cpu time spent up to now is 269.2 secs Computing kpt #: 74 total cpu time spent up to now is 271.9 secs Computing kpt #: 75 total cpu time spent up to now is 274.4 secs Computing kpt #: 76 total cpu time spent up to now is 276.9 secs Computing kpt #: 77 total cpu time spent up to now is 279.3 secs Computing kpt #: 78 total cpu time spent up to now is 283.2 secs Computing kpt #: 79 total cpu time spent up to now is 287.2 secs Computing kpt #: 80 total cpu time spent up to now is 289.6 secs Computing kpt #: 81 total cpu time spent up to now is 292.0 secs Computing kpt #: 82 total cpu time spent up to now is 294.4 secs Computing kpt #: 83 total cpu time spent up to now is 296.8 secs Computing kpt #: 84 total cpu time spent up to now is 301.2 secs Computing kpt #: 85 total cpu time spent up to now is 303.8 secs Computing kpt #: 86 total cpu time spent up to now is 306.2 secs Computing kpt #: 87 total cpu time spent up to now is 308.5 secs Computing kpt #: 88 total cpu time spent up to now is 310.9 secs Computing kpt #: 89 total cpu time spent up to now is 314.7 secs Computing kpt #: 90 total cpu time spent up to now is 318.2 secs Computing kpt #: 91 total cpu time spent up to now is 320.4 secs Computing kpt #: 92 total cpu time spent up to now is 322.8 secs Computing kpt #: 93 total cpu time spent up to now is 325.1 secs Computing kpt #: 94 total cpu time spent up to now is 327.3 secs Computing kpt #: 95 total cpu time spent up to now is 329.6 secs Computing kpt #: 96 total cpu time spent up to now is 332.3 secs Computing kpt #: 97 total cpu time spent up to now is 337.1 secs Computing kpt #: 98 total cpu time spent up to now is 339.3 secs Computing kpt #: 99 total cpu time spent up to now is 341.6 secs Computing kpt #: 100 total cpu time spent up to now is 343.8 secs Computing kpt #: 101 total cpu time spent up to now is 346.0 secs Computing kpt #: 102 total cpu time spent up to now is 348.1 secs Computing kpt #: 103 total cpu time spent up to now is 350.3 secs Computing kpt #: 104 total cpu time spent up to now is 353.9 secs Computing kpt #: 105 total cpu time spent up to now is 357.6 secs Computing kpt #: 106 total cpu time spent up to now is 359.8 secs Computing kpt #: 107 total cpu time spent up to now is 361.9 secs Computing kpt #: 108 total cpu time spent up to now is 364.1 secs Computing kpt #: 109 total cpu time spent up to now is 366.3 secs Computing kpt #: 110 total cpu time spent up to now is 368.6 secs Computing kpt #: 111 total cpu time spent up to now is 370.7 secs Computing kpt #: 112 total cpu time spent up to now is 375.2 secs Computing kpt #: 113 total cpu time spent up to now is 377.7 secs Computing kpt #: 114 total cpu time spent up to now is 379.9 secs Computing kpt #: 115 total cpu time spent up to now is 382.2 secs Computing kpt #: 116 total cpu time spent up to now is 384.5 secs Computing kpt #: 117 total cpu time spent up to now is 386.7 secs Computing kpt #: 118 total cpu time spent up to now is 389.1 secs Computing kpt #: 119 total cpu time spent up to now is 394.1 secs Computing kpt #: 120 total cpu time spent up to now is 396.4 secs Computing kpt #: 121 total cpu time spent up to now is 398.8 secs Computing kpt #: 122 total cpu time spent up to now is 401.5 secs Computing kpt #: 123 total cpu time spent up to now is 404.3 secs Computing kpt #: 124 total cpu time spent up to now is 407.1 secs Computing kpt #: 125 total cpu time spent up to now is 409.7 secs Computing kpt #: 126 total cpu time spent up to now is 412.3 secs Computing kpt #: 127 total cpu time spent up to now is 414.9 secs Computing kpt #: 128 total cpu time spent up to now is 417.8 secs Computing kpt #: 129 total cpu time spent up to now is 420.8 secs Computing kpt #: 130 total cpu time spent up to now is 423.8 secs Computing kpt #: 131 total cpu time spent up to now is 426.8 secs Computing kpt #: 132 total cpu time spent up to now is 429.5 secs Computing kpt #: 133 total cpu time spent up to now is 432.3 secs Computing kpt #: 134 total cpu time spent up to now is 435.5 secs Computing kpt #: 135 total cpu time spent up to now is 439.1 secs Computing kpt #: 136 total cpu time spent up to now is 442.6 secs Computing kpt #: 137 total cpu time spent up to now is 445.4 secs Computing kpt #: 138 total cpu time spent up to now is 448.4 secs Computing kpt #: 139 total cpu time spent up to now is 451.3 secs Computing kpt #: 140 total cpu time spent up to now is 454.3 secs Computing kpt #: 141 total cpu time spent up to now is 457.2 secs Computing kpt #: 142 total cpu time spent up to now is 460.0 secs Computing kpt #: 143 total cpu time spent up to now is 462.9 secs Computing kpt #: 144 total cpu time spent up to now is 465.9 secs Computing kpt #: 145 total cpu time spent up to now is 468.8 secs Computing kpt #: 146 total cpu time spent up to now is 471.5 secs Computing kpt #: 147 total cpu time spent up to now is 474.5 secs Computing kpt #: 148 total cpu time spent up to now is 477.4 secs Computing kpt #: 149 total cpu time spent up to now is 480.5 secs Computing kpt #: 150 total cpu time spent up to now is 483.4 secs Computing kpt #: 151 total cpu time spent up to now is 486.3 secs Computing kpt #: 152 total cpu time spent up to now is 489.2 secs Computing kpt #: 153 total cpu time spent up to now is 492.2 secs Computing kpt #: 154 total cpu time spent up to now is 495.2 secs Computing kpt #: 155 total cpu time spent up to now is 498.2 secs Computing kpt #: 156 total cpu time spent up to now is 501.1 secs Computing kpt #: 157 total cpu time spent up to now is 504.1 secs Computing kpt #: 158 total cpu time spent up to now is 507.0 secs Computing kpt #: 159 total cpu time spent up to now is 510.0 secs Computing kpt #: 160 total cpu time spent up to now is 512.9 secs Computing kpt #: 161 total cpu time spent up to now is 515.9 secs Computing kpt #: 162 total cpu time spent up to now is 518.8 secs Computing kpt #: 163 total cpu time spent up to now is 521.8 secs Computing kpt #: 164 total cpu time spent up to now is 524.7 secs Computing kpt #: 165 total cpu time spent up to now is 527.8 secs Computing kpt #: 166 total cpu time spent up to now is 530.6 secs Computing kpt #: 167 total cpu time spent up to now is 533.6 secs Computing kpt #: 168 total cpu time spent up to now is 536.5 secs Computing kpt #: 169 total cpu time spent up to now is 539.4 secs Computing kpt #: 170 total cpu time spent up to now is 542.3 secs Computing kpt #: 171 total cpu time spent up to now is 545.2 secs Computing kpt #: 172 total cpu time spent up to now is 548.1 secs Computing kpt #: 173 total cpu time spent up to now is 551.1 secs Computing kpt #: 174 total cpu time spent up to now is 553.9 secs Computing kpt #: 175 total cpu time spent up to now is 556.7 secs Computing kpt #: 176 total cpu time spent up to now is 559.5 secs Computing kpt #: 177 total cpu time spent up to now is 562.2 secs Computing kpt #: 178 total cpu time spent up to now is 564.8 secs Computing kpt #: 179 total cpu time spent up to now is 567.3 secs Computing kpt #: 180 total cpu time spent up to now is 569.9 secs Computing kpt #: 181 total cpu time spent up to now is 572.5 secs Computing kpt #: 182 total cpu time spent up to now is 575.1 secs Computing kpt #: 183 total cpu time spent up to now is 577.5 secs Computing kpt #: 184 total cpu time spent up to now is 579.9 secs Computing kpt #: 185 total cpu time spent up to now is 582.3 secs Computing kpt #: 186 total cpu time spent up to now is 584.7 secs Computing kpt #: 187 total cpu time spent up to now is 587.1 secs Computing kpt #: 188 total cpu time spent up to now is 589.5 secs Computing kpt #: 189 total cpu time spent up to now is 591.9 secs Computing kpt #: 190 total cpu time spent up to now is 594.3 secs Computing kpt #: 191 total cpu time spent up to now is 596.7 secs Computing kpt #: 192 total cpu time spent up to now is 599.2 secs Computing kpt #: 193 total cpu time spent up to now is 601.6 secs Computing kpt #: 194 total cpu time spent up to now is 603.9 secs Computing kpt #: 195 total cpu time spent up to now is 606.3 secs Computing kpt #: 196 total cpu time spent up to now is 608.7 secs Computing kpt #: 197 total cpu time spent up to now is 610.9 secs Computing kpt #: 198 total cpu time spent up to now is 613.2 secs Computing kpt #: 199 total cpu time spent up to now is 615.5 secs Computing kpt #: 200 total cpu time spent up to now is 617.7 secs Computing kpt #: 201 total cpu time spent up to now is 620.1 secs Computing kpt #: 202 total cpu time spent up to now is 622.3 secs Computing kpt #: 203 total cpu time spent up to now is 624.7 secs Computing kpt #: 204 total cpu time spent up to now is 627.0 secs Computing kpt #: 205 total cpu time spent up to now is 629.2 secs Computing kpt #: 206 total cpu time spent up to now is 631.5 secs Computing kpt #: 207 total cpu time spent up to now is 633.7 secs Computing kpt #: 208 total cpu time spent up to now is 636.0 secs Computing kpt #: 209 total cpu time spent up to now is 638.2 secs Computing kpt #: 210 total cpu time spent up to now is 640.5 secs Computing kpt #: 211 total cpu time spent up to now is 642.8 secs Computing kpt #: 212 total cpu time spent up to now is 645.0 secs Computing kpt #: 213 total cpu time spent up to now is 647.2 secs Computing kpt #: 214 total cpu time spent up to now is 649.4 secs Computing kpt #: 215 total cpu time spent up to now is 651.7 secs Computing kpt #: 216 total cpu time spent up to now is 653.9 secs Computing kpt #: 217 total cpu time spent up to now is 656.1 secs Computing kpt #: 218 total cpu time spent up to now is 658.4 secs Computing kpt #: 219 total cpu time spent up to now is 661.0 secs Computing kpt #: 220 total cpu time spent up to now is 663.3 secs Computing kpt #: 221 total cpu time spent up to now is 665.6 secs Computing kpt #: 222 total cpu time spent up to now is 668.0 secs Computing kpt #: 223 total cpu time spent up to now is 670.3 secs Computing kpt #: 224 total cpu time spent up to now is 672.7 secs Computing kpt #: 225 total cpu time spent up to now is 675.1 secs Computing kpt #: 226 total cpu time spent up to now is 677.6 secs Computing kpt #: 227 total cpu time spent up to now is 680.1 secs Computing kpt #: 228 total cpu time spent up to now is 682.5 secs Computing kpt #: 229 total cpu time spent up to now is 685.0 secs Computing kpt #: 230 total cpu time spent up to now is 687.7 secs Computing kpt #: 231 total cpu time spent up to now is 690.3 secs Computing kpt #: 232 total cpu time spent up to now is 692.9 secs Computing kpt #: 233 total cpu time spent up to now is 695.5 secs Computing kpt #: 234 total cpu time spent up to now is 698.2 secs Computing kpt #: 235 total cpu time spent up to now is 700.8 secs Computing kpt #: 236 total cpu time spent up to now is 703.5 secs Computing kpt #: 237 total cpu time spent up to now is 706.3 secs Computing kpt #: 238 total cpu time spent up to now is 709.0 secs Computing kpt #: 239 total cpu time spent up to now is 711.7 secs Computing kpt #: 240 total cpu time spent up to now is 714.4 secs Computing kpt #: 241 total cpu time spent up to now is 717.1 secs Computing kpt #: 242 total cpu time spent up to now is 720.0 secs Computing kpt #: 243 total cpu time spent up to now is 722.8 secs Computing kpt #: 244 total cpu time spent up to now is 725.6 secs Computing kpt #: 245 total cpu time spent up to now is 728.3 secs Computing kpt #: 246 total cpu time spent up to now is 731.3 secs Computing kpt #: 247 total cpu time spent up to now is 734.0 secs Computing kpt #: 248 total cpu time spent up to now is 736.9 secs Computing kpt #: 249 total cpu time spent up to now is 740.4 secs Computing kpt #: 250 total cpu time spent up to now is 744.6 secs Computing kpt #: 251 total cpu time spent up to now is 747.4 secs Computing kpt #: 252 total cpu time spent up to now is 750.4 secs Computing kpt #: 253 total cpu time spent up to now is 753.2 secs Computing kpt #: 254 total cpu time spent up to now is 756.1 secs Computing kpt #: 255 total cpu time spent up to now is 758.8 secs Computing kpt #: 256 total cpu time spent up to now is 761.7 secs Computing kpt #: 257 total cpu time spent up to now is 764.5 secs Computing kpt #: 258 total cpu time spent up to now is 767.3 secs Computing kpt #: 259 total cpu time spent up to now is 770.2 secs Computing kpt #: 260 total cpu time spent up to now is 773.0 secs Computing kpt #: 261 total cpu time spent up to now is 775.8 secs Computing kpt #: 262 total cpu time spent up to now is 778.7 secs Computing kpt #: 263 total cpu time spent up to now is 781.4 secs Computing kpt #: 264 total cpu time spent up to now is 784.2 secs Computing kpt #: 265 total cpu time spent up to now is 787.0 secs Computing kpt #: 266 total cpu time spent up to now is 789.7 secs Computing kpt #: 267 total cpu time spent up to now is 792.6 secs Computing kpt #: 268 total cpu time spent up to now is 795.3 secs Computing kpt #: 269 total cpu time spent up to now is 798.0 secs Computing kpt #: 270 total cpu time spent up to now is 800.7 secs Computing kpt #: 271 total cpu time spent up to now is 803.3 secs Computing kpt #: 272 total cpu time spent up to now is 806.0 secs Computing kpt #: 273 total cpu time spent up to now is 808.7 secs Computing kpt #: 274 total cpu time spent up to now is 811.3 secs Computing kpt #: 275 total cpu time spent up to now is 814.0 secs Computing kpt #: 276 total cpu time spent up to now is 816.7 secs Computing kpt #: 277 total cpu time spent up to now is 819.3 secs Computing kpt #: 278 total cpu time spent up to now is 822.0 secs Computing kpt #: 279 total cpu time spent up to now is 824.7 secs Computing kpt #: 280 total cpu time spent up to now is 827.4 secs Computing kpt #: 281 total cpu time spent up to now is 829.9 secs Computing kpt #: 282 total cpu time spent up to now is 832.4 secs Computing kpt #: 283 total cpu time spent up to now is 835.0 secs Computing kpt #: 284 total cpu time spent up to now is 837.4 secs Computing kpt #: 285 total cpu time spent up to now is 840.2 secs Computing kpt #: 286 total cpu time spent up to now is 842.7 secs Computing kpt #: 287 total cpu time spent up to now is 845.1 secs Computing kpt #: 288 total cpu time spent up to now is 847.6 secs Computing kpt #: 289 total cpu time spent up to now is 850.2 secs Computing kpt #: 290 total cpu time spent up to now is 852.8 secs Computing kpt #: 291 total cpu time spent up to now is 855.1 secs Computing kpt #: 292 total cpu time spent up to now is 857.5 secs Computing kpt #: 293 total cpu time spent up to now is 859.7 secs Computing kpt #: 294 total cpu time spent up to now is 862.1 secs Computing kpt #: 295 total cpu time spent up to now is 864.4 secs Computing kpt #: 296 total cpu time spent up to now is 866.8 secs Computing kpt #: 297 total cpu time spent up to now is 869.2 secs Computing kpt #: 298 total cpu time spent up to now is 871.9 secs Computing kpt #: 299 total cpu time spent up to now is 874.3 secs Computing kpt #: 300 total cpu time spent up to now is 876.8 secs Computing kpt #: 301 total cpu time spent up to now is 879.3 secs Computing kpt #: 302 total cpu time spent up to now is 881.7 secs Computing kpt #: 303 total cpu time spent up to now is 884.2 secs Computing kpt #: 304 total cpu time spent up to now is 886.8 secs Computing kpt #: 305 total cpu time spent up to now is 889.3 secs Computing kpt #: 306 total cpu time spent up to now is 891.8 secs Computing kpt #: 307 total cpu time spent up to now is 894.5 secs Computing kpt #: 308 total cpu time spent up to now is 897.0 secs Computing kpt #: 309 total cpu time spent up to now is 899.6 secs Computing kpt #: 310 total cpu time spent up to now is 902.3 secs Computing kpt #: 311 total cpu time spent up to now is 905.0 secs Computing kpt #: 312 total cpu time spent up to now is 907.7 secs Computing kpt #: 313 total cpu time spent up to now is 910.5 secs Computing kpt #: 314 total cpu time spent up to now is 913.3 secs Computing kpt #: 315 total cpu time spent up to now is 916.0 secs Computing kpt #: 316 total cpu time spent up to now is 918.8 secs Computing kpt #: 317 total cpu time spent up to now is 921.5 secs Computing kpt #: 318 total cpu time spent up to now is 924.2 secs Computing kpt #: 319 total cpu time spent up to now is 927.0 secs Computing kpt #: 320 total cpu time spent up to now is 929.9 secs Computing kpt #: 321 total cpu time spent up to now is 932.6 secs Computing kpt #: 322 total cpu time spent up to now is 935.4 secs Computing kpt #: 323 total cpu time spent up to now is 938.1 secs Computing kpt #: 324 total cpu time spent up to now is 940.9 secs Computing kpt #: 325 total cpu time spent up to now is 943.7 secs Computing kpt #: 326 total cpu time spent up to now is 946.6 secs Computing kpt #: 327 total cpu time spent up to now is 949.4 secs Computing kpt #: 328 total cpu time spent up to now is 952.2 secs Computing kpt #: 329 total cpu time spent up to now is 954.9 secs Computing kpt #: 330 total cpu time spent up to now is 957.7 secs Computing kpt #: 331 total cpu time spent up to now is 960.6 secs Computing kpt #: 332 total cpu time spent up to now is 963.4 secs Computing kpt #: 333 total cpu time spent up to now is 966.5 secs Computing kpt #: 334 total cpu time spent up to now is 969.4 secs ethr = 2.00E-11, avg # of iterations = 36.0 total cpu time spent up to now is 969.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -16.4255 -16.4255 -15.0286 -15.0286 -14.4124 -14.4124 -13.8356 -13.8356 -13.7416 -13.7416 -13.3632 -13.3632 -5.2951 -5.2951 -4.5803 -4.5803 -3.5437 -3.5437 -2.8088 -2.8088 -2.7488 -2.7488 -1.2014 -1.2014 -0.3135 -0.3135 0.0603 0.0603 0.2986 0.2986 1.1398 1.1398 1.4748 1.4748 1.8960 1.8960 2.2047 2.2047 2.2882 2.2882 2.4226 2.4226 2.8108 2.8108 2.9369 2.9369 3.1861 3.1861 3.3280 3.3280 8.2183 8.2183 9.9057 9.9057 10.4671 10.4671 10.8840 10.8840 12.2045 12.2045 k = 0.0109 0.0076-0.0037 ( 4084 PWs) bands (ev): -16.4250 -16.4249 -15.0289 -15.0283 -14.4126 -14.4119 -13.8365 -13.8363 -13.7419 -13.7411 -13.3643 -13.3632 -5.2951 -5.2946 -4.5829 -4.5827 -3.5427 -3.5422 -2.8124 -2.8007 -2.7522 -2.7431 -1.2076 -1.1961 -0.3155 -0.3141 0.0413 0.0763 0.2917 0.3072 1.1327 1.1466 1.4591 1.4911 1.8837 1.8888 2.2053 2.2198 2.2895 2.2918 2.4227 2.4234 2.8098 2.8107 2.9373 2.9378 3.1857 3.1860 3.3276 3.3278 8.2049 8.2312 9.8934 9.9169 10.4531 10.4790 10.8719 10.9016 12.1959 12.2145 k = 0.0217 0.0153-0.0074 ( 4080 PWs) bands (ev): -16.4233 -16.4230 -15.0290 -15.0278 -14.4125 -14.4111 -13.8389 -13.8386 -13.7420 -13.7404 -13.3663 -13.3642 -5.2946 -5.2935 -4.5905 -4.5900 -3.5392 -3.5381 -2.8121 -2.7882 -2.7536 -2.7348 -1.2145 -1.1917 -0.3206 -0.3173 0.0207 0.0877 0.2875 0.3164 1.1256 1.1526 1.4445 1.5073 1.8558 1.8644 2.2203 2.2431 2.2954 2.3028 2.4240 2.4257 2.8076 2.8093 2.9391 2.9401 3.1846 3.1852 3.3265 3.3270 8.1910 8.2434 9.8798 9.9267 10.4386 10.4869 10.8668 10.9233 12.1889 12.2258 k = 0.0326 0.0229-0.0111 ( 4072 PWs) bands (ev): -16.4205 -16.4200 -15.0290 -15.0272 -14.4122 -14.4100 -13.8428 -13.8424 -13.7418 -13.7394 -13.3692 -13.3661 -5.2938 -5.2920 -4.6027 -4.6019 -3.5332 -3.5315 -2.8086 -2.7716 -2.7525 -2.7233 -1.2222 -1.1881 -0.3290 -0.3229 -0.0001 0.0937 0.2868 0.3254 1.1188 1.1571 1.4316 1.5228 1.8170 1.8310 2.2418 2.2638 2.3068 2.3242 2.4275 2.4312 2.8042 2.8068 2.9421 2.9437 3.1829 3.1838 3.3249 3.3256 8.1767 8.2550 9.8651 9.9354 10.4254 10.4891 10.8699 10.9480 12.1835 12.2385 k = 0.0435 0.0305-0.0148 ( 4074 PWs) bands (ev): -16.4164 -16.4158 -15.0290 -15.0266 -14.4116 -14.4087 -13.8482 -13.8477 -13.7415 -13.7384 -13.3732 -13.3690 -5.2927 -5.2902 -4.6190 -4.6179 -3.5249 -3.5225 -2.8026 -2.7570 -2.7434 -2.7082 -1.2306 -1.1854 -0.3412 -0.3309 -0.0198 0.0942 0.2893 0.3333 1.1122 1.1595 1.4207 1.5366 1.7711 1.7958 2.2620 2.2786 2.3238 2.3501 2.4351 2.4444 2.7998 2.8031 2.9464 2.9484 3.1806 3.1817 3.3228 3.3237 8.1621 8.2658 9.8491 9.9428 10.4145 10.4852 10.8814 10.9748 12.1797 12.2522 k = 0.0543 0.0381-0.0186 ( 4076 PWs) bands (ev): -16.4112 -16.4105 -15.0288 -15.0258 -14.4108 -14.4071 -13.8549 -13.8544 -13.7410 -13.7373 -13.3780 -13.3729 -5.2917 -5.2885 -4.6387 -4.6372 -3.5142 -3.5113 -2.7949 -2.7515 -2.7196 -2.6891 -1.2395 -1.1835 -0.3576 -0.3413 -0.0374 0.0901 0.2941 0.3397 1.1058 1.1587 1.4116 1.5476 1.7214 1.7639 2.2782 2.2910 2.3422 2.3688 2.4502 2.4714 2.7944 2.7985 2.9518 2.9543 3.1776 3.1790 3.3202 3.3214 8.1472 8.2757 9.8320 9.9492 10.4066 10.4757 10.9007 11.0032 12.1775 12.2668 k = 0.0652 0.0458-0.0223 ( 4073 PWs) bands (ev): -16.4048 -16.4039 -15.0285 -15.0250 -14.4097 -14.4054 -13.8629 -13.8624 -13.7406 -13.7362 -13.3837 -13.3777 -5.2912 -5.2871 -4.6609 -4.6590 -3.5014 -3.4980 -2.7861 -2.7467 -2.6899 -2.6658 -1.2488 -1.1824 -0.3782 -0.3541 -0.0524 0.0826 0.2998 0.3442 1.0995 1.1543 1.4036 1.5539 1.6713 1.7389 2.2922 2.3030 2.3556 2.3776 2.4753 2.5107 2.7882 2.7931 2.9581 2.9611 3.1740 3.1757 3.3173 3.3187 8.1321 8.2848 9.8139 9.9546 10.4020 10.4619 10.9266 11.0327 12.1768 12.2822 k = 0.0761 0.0534-0.0260 ( 4079 PWs) bands (ev): -16.3973 -16.3962 -15.0280 -15.0240 -14.4085 -14.4036 -13.8720 -13.8717 -13.7401 -13.7351 -13.3903 -13.3833 -5.2916 -5.2865 -4.6847 -4.6823 -3.4866 -3.4827 -2.7766 -2.7410 -2.6565 -2.6386 -1.2585 -1.1819 -0.4030 -0.3694 -0.0644 0.0730 0.3051 0.3464 1.0928 1.1460 1.3947 1.5525 1.6255 1.7238 2.3053 2.3152 2.3628 2.3811 2.5083 2.5561 2.7816 2.7873 2.9652 2.9688 3.1697 3.1717 3.3142 3.3158 8.1169 8.2929 9.7950 9.9593 10.3998 10.4462 10.9575 11.0631 12.1778 12.2981 k = 0.0870 0.0610-0.0297 ( 4080 PWs) bands (ev): -16.3886 -16.3874 -15.0275 -15.0230 -14.4072 -14.4016 -13.8823 -13.8820 -13.7397 -13.7341 -13.3977 -13.3897 -5.2936 -5.2874 -4.7089 -4.7059 -3.4699 -3.4656 -2.7664 -2.7341 -2.6200 -2.6078 -1.2684 -1.1819 -0.4315 -0.3872 -0.0738 0.0624 0.3090 0.3463 1.0848 1.1340 1.3827 1.5341 1.5968 1.7192 2.3174 2.3274 2.3668 2.3832 2.5449 2.6025 2.7754 2.7818 2.9730 2.9771 3.1647 3.1670 3.3111 3.3130 8.1017 8.3001 9.7753 9.9636 10.3965 10.4332 10.9921 11.0942 12.1802 12.3143 k = 0.0978 0.0686-0.0334 ( 4084 PWs) bands (ev): -16.3787 -16.3774 -15.0268 -15.0218 -14.4059 -14.3997 -13.8936 -13.8935 -13.7393 -13.7332 -13.4058 -13.3969 -5.2979 -5.2905 -4.7323 -4.7285 -3.4516 -3.4469 -2.7556 -2.7260 -2.5812 -2.5739 -1.2783 -1.1823 -0.4630 -0.4073 -0.0808 0.0512 0.3109 0.3437 1.0740 1.1196 1.3661 1.4963 1.5928 1.7227 2.3272 2.3381 2.3711 2.3868 2.5809 2.6460 2.7714 2.7778 2.9812 2.9860 3.1590 3.1616 3.3083 3.3104 8.0865 8.3062 9.7553 9.9678 10.3852 10.4307 11.0294 11.1258 12.1840 12.3305 k = 0.1087 0.0763-0.0371 ( 4087 PWs) bands (ev): -16.3678 -16.3663 -15.0260 -15.0205 -14.4046 -14.3978 -13.9060 -13.9060 -13.7391 -13.7323 -13.4145 -13.4048 -5.3054 -5.2966 -4.7535 -4.7488 -3.4319 -3.4267 -2.7440 -2.7166 -2.5403 -2.5374 -1.2882 -1.1830 -0.4970 -0.4296 -0.0861 0.0400 0.3105 0.3387 1.0580 1.1041 1.3453 1.4542 1.6018 1.7313 2.3326 2.3450 2.3795 2.3948 2.6122 2.6803 2.7737 2.7785 2.9897 2.9952 3.1526 3.1556 3.3061 3.3085 8.0714 8.3113 9.7352 9.9722 10.3667 10.4383 11.0685 11.1578 12.1892 12.3465 k = 0.1196 0.0839-0.0408 ( 4087 PWs) bands (ev): -16.3556 -16.3540 -15.0251 -15.0192 -14.4034 -14.3961 -13.9194 -13.9192 -13.7389 -13.7316 -13.4239 -13.4133 -5.3167 -5.3066 -4.7713 -4.7657 -3.4110 -3.4055 -2.7315 -2.7060 -2.4989 -2.4980 -1.2980 -1.1838 -0.5326 -0.4539 -0.0901 0.0287 0.3078 0.3315 1.0348 1.0885 1.3220 1.4154 1.6181 1.7425 2.3332 2.3471 2.3926 2.4083 2.6349 2.6964 2.7822 2.7954 2.9982 3.0048 3.1455 3.1491 3.3048 3.3077 8.0566 8.3153 9.7154 9.9769 10.3460 10.4512 11.1088 11.1902 12.1957 12.3621 k = 0.1304 0.0915-0.0445 ( 4089 PWs) bands (ev): -16.3424 -16.3407 -15.0241 -15.0178 -14.4024 -14.3947 -13.9336 -13.9333 -13.7388 -13.7310 -13.4338 -13.4224 -5.3327 -5.3211 -4.7845 -4.7780 -3.3891 -3.3833 -2.7181 -2.6941 -2.4589 -2.4548 -1.3074 -1.1846 -0.5694 -0.4798 -0.0935 0.0172 0.3029 0.3224 1.0047 1.0711 1.2987 1.3827 1.6391 1.7548 2.3306 2.3462 2.4090 2.4261 2.6459 2.6960 2.7975 2.8273 3.0066 3.0147 3.1378 3.1420 3.3050 3.3083 8.0420 8.3182 9.6961 9.9823 10.3251 10.4676 11.1498 11.2230 12.2032 12.3771 k = 0.1413 0.0991-0.0483 ( 4087 PWs) bands (ev): -16.3281 -16.3262 -15.0230 -15.0162 -14.4018 -14.3936 -13.9485 -13.9480 -13.7388 -13.7304 -13.4441 -13.4320 -5.3536 -5.3408 -4.7922 -4.7849 -3.3665 -3.3605 -2.7035 -2.6809 -2.4179 -2.4109 -1.3164 -1.1853 -0.6068 -0.5072 -0.0967 0.0054 0.2964 0.3117 0.9690 1.0493 1.2777 1.3570 1.6630 1.7670 2.3264 2.3439 2.4274 2.4461 2.6466 2.6880 2.8196 2.8626 3.0147 3.0250 3.1298 3.1348 3.3071 3.3111 8.0278 8.3201 9.6775 9.9882 10.3050 10.4865 11.1912 11.2562 12.2119 12.3912 k = 0.1522 0.1068-0.0520 ( 4084 PWs) bands (ev): -16.3126 -16.3106 -15.0217 -15.0146 -14.4016 -14.3931 -13.9640 -13.9634 -13.7389 -13.7299 -13.4548 -13.4421 -5.3796 -5.3656 -4.7942 -4.7862 -3.3434 -3.3372 -2.6878 -2.6663 -2.3762 -2.3668 -1.3249 -1.1856 -0.6443 -0.5356 -0.1005 -0.0071 0.2886 0.3001 0.9291 1.0211 1.2614 1.3377 1.6883 1.7785 2.3214 2.3409 2.4473 2.4670 2.6406 2.6771 2.8444 2.8954 3.0221 3.0356 3.1220 3.1281 3.3117 3.3167 8.0141 8.3209 9.6601 9.9947 10.2863 10.5074 11.2326 11.2896 12.2214 12.4043 k = 0.1630 0.1144-0.0557 ( 4088 PWs) bands (ev): -16.2961 -16.2940 -15.0203 -15.0129 -14.4021 -14.3933 -13.9799 -13.9792 -13.7391 -13.7296 -13.4658 -13.4525 -5.4102 -5.3954 -4.7904 -4.7818 -3.3202 -3.3139 -2.6709 -2.6503 -2.3344 -2.3230 -1.3328 -1.1855 -0.6815 -0.5646 -0.1052 -0.0206 0.2802 0.2883 0.8862 0.9866 1.2508 1.3236 1.7138 1.7886 2.3161 2.3378 2.4682 2.4870 2.6313 2.6656 2.8684 2.9228 3.0284 3.0458 3.1154 3.1232 3.3192 3.3256 8.0009 8.3207 9.6438 10.0016 10.2695 10.5298 11.2738 11.3232 12.2318 12.4164 k = 0.1739 0.1220-0.0594 ( 4086 PWs) bands (ev): -16.2785 -16.2762 -15.0189 -15.0112 -14.4034 -14.3944 -13.9961 -13.9953 -13.7393 -13.7293 -13.4771 -13.4631 -5.4449 -5.4294 -4.7811 -4.7722 -3.2971 -3.2908 -2.6527 -2.6328 -2.2927 -2.2797 -1.3399 -1.1848 -0.7179 -0.5938 -0.1115 -0.0354 0.2715 0.2770 0.8411 0.9468 1.2453 1.3135 1.7383 1.7969 2.3109 2.3345 2.4896 2.5042 2.6210 2.6557 2.8894 2.9435 3.0324 3.0528 3.1117 3.1231 3.3300 3.3385 7.9883 8.3195 9.6290 10.0086 10.2552 10.5533 11.3147 11.3571 12.2429 12.4273 k = 0.1848 0.1297-0.0631 ( 4092 PWs) bands (ev): -16.2598 -16.2575 -15.0173 -15.0094 -14.4057 -14.3966 -14.0122 -14.0114 -13.7397 -13.7291 -13.4885 -13.4740 -5.4831 -5.4671 -4.7668 -4.7577 -3.2745 -3.2682 -2.6332 -2.6140 -2.2515 -2.2373 -1.3462 -1.1834 -0.7532 -0.6229 -0.1198 -0.0517 0.2626 0.2677 0.7946 0.9033 1.2438 1.3063 1.7606 1.8031 2.3060 2.3312 2.5095 2.5163 2.6115 2.6506 2.9061 2.9575 3.0328 3.0529 3.1124 3.1310 3.3442 3.3557 7.9763 8.3174 9.6156 10.0153 10.2438 10.5777 11.3552 11.3912 12.2544 12.4371 k = 0.1957 0.1373-0.0668 ( 4085 PWs) bands (ev): -16.2401 -16.2377 -15.0157 -15.0075 -14.4092 -14.4002 -14.0282 -14.0274 -13.7402 -13.7290 -13.4999 -13.4849 -5.5238 -5.5075 -4.7482 -4.7390 -3.2526 -3.2463 -2.6125 -2.5939 -2.2110 -2.1961 -1.3516 -1.1812 -0.7869 -0.6514 -0.1306 -0.0697 0.2540 0.2610 0.7473 0.8576 1.2450 1.3011 1.7795 1.8072 2.3016 2.3276 2.5150 2.5317 2.6047 2.6540 2.9182 2.9662 3.0288 3.0466 3.1180 3.1460 3.3618 3.3773 7.9650 8.3145 9.6039 10.0212 10.2359 10.6026 11.3950 11.4253 12.2665 12.4458 k = 0.2065 0.1449-0.0705 ( 4090 PWs) bands (ev): -16.2194 -16.2169 -15.0140 -15.0056 -14.4142 -14.4054 -14.0436 -14.0429 -13.7408 -13.7291 -13.5112 -13.4959 -5.5665 -5.5500 -4.7257 -4.7166 -3.2317 -3.2254 -2.5906 -2.5725 -2.1717 -2.1564 -1.3560 -1.1781 -0.8187 -0.6789 -0.1442 -0.0894 0.2469 0.2565 0.6996 0.8105 1.2479 1.2973 1.7927 1.8105 2.2976 2.3232 2.5081 2.5438 2.6046 2.6664 2.9260 2.9713 3.0208 3.0366 3.1279 3.1641 3.3826 3.4029 7.9545 8.3108 9.5938 10.0257 10.2321 10.6278 11.4342 11.4595 12.2788 12.4533 k = 0.2174 0.1525-0.0742 ( 4094 PWs) bands (ev): -16.1977 -16.1951 -15.0122 -15.0037 -14.4210 -14.4125 -14.0582 -14.0577 -13.7417 -13.7294 -13.5224 -13.5067 -5.6106 -5.5940 -4.7000 -4.6909 -3.2119 -3.2056 -2.5680 -2.5502 -2.1337 -2.1184 -1.3593 -1.1740 -0.8480 -0.7050 -0.1607 -0.1105 0.2421 0.2542 0.6518 0.7629 1.2517 1.2944 1.7966 1.8157 2.2937 2.3175 2.4955 2.5447 2.6161 2.6850 2.9305 2.9742 3.0104 3.0249 3.1405 3.1830 3.4061 3.4320 7.9449 8.3063 9.5854 10.0282 10.2329 10.6529 11.4726 11.4937 12.2913 12.4597 k = 0.2283 0.1602-0.0780 ( 4090 PWs) bands (ev): -16.1750 -16.1723 -15.0105 -15.0018 -14.4297 -14.4218 -14.0718 -14.0714 -13.7427 -13.7299 -13.5333 -13.5174 -5.6555 -5.6388 -4.6713 -4.6623 -3.1935 -3.1870 -2.5447 -2.5271 -2.0973 -2.0824 -1.3613 -1.1690 -0.8746 -0.7293 -0.1799 -0.1328 0.2399 0.2540 0.6043 0.7151 1.2557 1.2920 1.7927 1.8206 2.2893 2.3099 2.4804 2.5384 2.6357 2.7065 2.9327 2.9760 2.9988 3.0127 3.1547 3.2018 3.4319 3.4636 7.9360 8.3012 9.5787 10.0284 10.2382 10.6778 11.5103 11.5278 12.3038 12.4650 k = 0.2391 0.1678-0.0817 ( 4094 PWs) bands (ev): -16.1513 -16.1486 -15.0087 -15.0000 -14.4406 -14.4333 -14.0843 -14.0836 -13.7441 -13.7307 -13.5438 -13.5278 -5.7008 -5.6842 -4.6402 -4.6313 -3.1766 -3.1698 -2.5214 -2.5039 -2.0625 -2.0484 -1.3619 -1.1628 -0.8980 -0.7514 -0.2015 -0.1562 0.2403 0.2559 0.5572 0.6675 1.2596 1.2898 1.7844 1.8217 2.2835 2.2995 2.4653 2.5302 2.6581 2.7288 2.9335 2.9773 2.9870 3.0010 3.1697 3.2203 3.4594 3.4970 7.9281 8.2955 9.5737 10.0265 10.2481 10.7022 11.5471 11.5618 12.3161 12.4693 k = 0.2500 0.1754-0.0854 ( 4095 PWs) bands (ev): -16.1268 -16.1239 -15.0070 -14.9982 -14.4538 -14.4474 -14.0955 -14.0943 -13.7458 -13.7320 -13.5538 -13.5377 -5.7460 -5.7295 -4.6068 -4.5982 -3.1613 -3.1540 -2.4985 -2.4810 -2.0295 -2.0165 -1.3609 -1.1556 -0.9177 -0.7710 -0.2250 -0.1802 0.2432 0.2597 0.5108 0.6204 1.2630 1.2875 1.7725 1.8181 2.2749 2.2859 2.4518 2.5226 2.6804 2.7506 2.9341 2.9745 2.9782 2.9924 3.1853 3.2385 3.4881 3.5314 7.9211 8.2893 9.5703 10.0227 10.2618 10.7259 11.5831 11.5955 12.3283 12.4726 k = 0.2609 0.1830-0.0891 ( 4101 PWs) bands (ev): -16.1013 -16.0984 -15.0054 -14.9965 -14.4694 -14.4639 -14.1051 -14.1032 -13.7479 -13.7337 -13.5631 -13.5471 -5.7909 -5.7746 -4.5715 -4.5631 -3.1475 -3.1395 -2.4767 -2.4591 -1.9982 -1.9866 -1.3582 -1.1474 -0.9334 -0.7877 -0.2498 -0.2048 0.2483 0.2654 0.4653 0.5739 1.2655 1.2848 1.7575 1.8097 2.2623 2.2688 2.4414 2.5162 2.7013 2.7705 2.9352 2.9652 2.9719 2.9919 3.2011 3.2568 3.5175 3.5661 7.9151 8.2826 9.5685 10.0173 10.2789 10.7486 11.6183 11.6289 12.3400 12.4750 k = 0.2717 0.1907-0.0928 ( 4095 PWs) bands (ev): -16.0749 -16.0720 -15.0039 -14.9950 -14.4873 -14.4829 -14.1131 -14.1105 -13.7505 -13.7361 -13.5717 -13.5559 -5.8351 -5.8191 -4.5346 -4.5264 -3.1352 -3.1264 -2.4570 -2.4391 -1.9686 -1.9584 -1.3536 -1.1380 -0.9448 -0.8013 -0.2754 -0.2294 0.2552 0.2728 0.4209 0.5281 1.2668 1.2817 1.7397 1.7966 2.2450 2.2485 2.4343 2.5109 2.7197 2.7873 2.9376 2.9577 2.9641 2.9974 3.2174 3.2752 3.5471 3.6006 7.9101 8.2754 9.5683 10.0109 10.2987 10.7703 11.6525 11.6619 12.3511 12.4765 k = 0.2826 0.1983-0.0965 ( 4100 PWs) bands (ev): -16.0477 -16.0448 -15.0026 -14.9937 -14.5075 -14.5041 -14.1195 -14.1162 -13.7537 -13.7391 -13.5793 -13.5639 -5.8785 -5.8629 -4.4962 -4.4882 -3.1243 -3.1146 -2.4400 -2.4218 -1.9402 -1.9317 -1.3469 -1.1276 -0.9518 -0.8116 -0.3011 -0.2540 0.2632 0.2818 0.3782 0.4832 1.2667 1.2780 1.7192 1.7793 2.2231 2.2253 2.4300 2.5060 2.7351 2.7997 2.9397 2.9529 2.9606 3.0060 3.2341 3.2939 3.5767 3.6346 7.9060 8.2678 9.5695 10.0036 10.3207 10.7907 11.6859 11.6945 12.3616 12.4772 k = 0.2935 0.2059-0.1002 ( 4097 PWs) bands (ev): -16.0197 -16.0168 -15.0015 -14.9927 -14.5296 -14.5273 -14.1244 -14.1204 -13.7576 -13.7429 -13.5859 -13.5711 -5.9207 -5.9055 -4.4566 -4.4489 -3.1147 -3.1040 -2.4268 -2.4082 -1.9128 -1.9057 -1.3381 -1.1162 -0.9543 -0.8185 -0.3266 -0.2782 0.2700 0.2921 0.3392 0.4395 1.2650 1.2737 1.6965 1.7581 2.1973 2.1999 2.4275 2.5010 2.7476 2.8072 2.9392 2.9484 2.9681 3.0167 3.2515 3.3131 3.6059 3.6676 7.9030 8.2597 9.5721 9.9957 10.3444 10.8096 11.7184 11.7266 12.3712 12.4772 k = 0.3043 0.2135-0.1039 ( 4097 PWs) bands (ev): -15.9910 -15.9880 -15.0008 -14.9920 -14.5536 -14.5524 -14.1279 -14.1233 -13.7621 -13.7475 -13.5914 -13.5774 -5.9617 -5.9470 -4.4160 -4.4085 -3.1062 -3.0944 -2.4181 -2.3990 -1.8860 -1.8801 -1.3269 -1.1039 -0.9524 -0.8220 -0.3514 -0.3017 0.2649 0.3036 0.3138 0.3977 1.2614 1.2688 1.6718 1.7336 2.1690 2.1722 2.4256 2.4950 2.7576 2.8104 2.9379 2.9455 2.9831 3.0290 3.2698 3.3329 3.6344 3.6995 7.9011 8.2513 9.5759 9.9872 10.3694 10.8270 11.7500 11.7580 12.3798 12.4764 k = 0.3152 0.2212-0.1077 ( 4102 PWs) bands (ev): -15.9615 -15.9585 -15.0006 -14.9917 -14.5789 -14.5787 -14.1302 -14.1250 -13.7673 -13.7530 -13.5959 -13.5827 -6.0013 -5.9870 -4.3747 -4.3674 -3.0986 -3.0858 -2.4145 -2.3949 -1.8594 -1.8545 -1.3134 -1.0907 -0.9464 -0.8220 -0.3752 -0.3242 0.2363 0.3099 0.3168 0.3610 1.2559 1.2631 1.6454 1.7062 2.1390 2.1430 2.4232 2.4875 2.7658 2.8108 2.9375 2.9446 3.0018 3.0423 3.2892 3.3532 3.6621 3.7299 7.9002 8.2424 9.5810 9.9784 10.3955 10.8426 11.7806 11.7888 12.3872 12.4751 k = 0.3261 0.2288-0.1114 ( 4112 PWs) bands (ev): -15.9314 -15.9284 -15.0009 -14.9921 -14.6063 -14.6053 -14.1314 -14.1257 -13.7732 -13.7592 -13.5992 -13.5871 -6.0393 -6.0256 -4.3327 -4.3257 -3.0918 -3.0780 -2.4164 -2.3962 -1.8327 -1.8284 -1.2977 -1.0768 -0.9365 -0.8188 -0.3977 -0.3457 0.1992 0.2956 0.3310 0.3464 1.2486 1.2560 1.6179 1.6766 2.1080 2.1126 2.4195 2.4782 2.7730 2.8100 2.9383 2.9456 3.0221 3.0560 3.3097 3.3740 3.6889 3.7587 7.9003 8.2331 9.5872 9.9692 10.4223 10.8565 11.8104 11.8189 12.3933 12.4731 k = 0.3370 0.2364-0.1151 ( 4106 PWs) bands (ev): -15.9006 -15.8976 -15.0019 -14.9932 -14.6344 -14.6325 -14.1317 -14.1256 -13.7797 -13.7661 -13.6017 -13.5906 -6.0755 -6.0624 -4.2904 -4.2837 -3.0855 -3.0707 -2.4238 -2.4030 -1.8060 -1.8019 -1.2797 -1.0624 -0.9233 -0.8124 -0.4186 -0.3660 0.1610 0.2610 0.3471 0.3555 1.2397 1.2471 1.5896 1.6454 2.0766 2.0818 2.4141 2.4669 2.7797 2.8092 2.9404 2.9481 3.0424 3.0695 3.3316 3.3953 3.7144 3.7857 7.9015 8.2235 9.5944 9.9596 10.4496 10.8685 11.8392 11.8483 12.3981 12.4707 k = 0.3478 0.2441-0.1188 ( 4104 PWs) bands (ev): -15.8693 -15.8664 -15.0039 -14.9952 -14.6627 -14.6599 -14.1312 -14.1248 -13.7867 -13.7736 -13.6032 -13.5932 -6.1099 -6.0974 -4.2480 -4.2415 -3.0797 -3.0639 -2.4365 -2.4152 -1.7793 -1.7751 -1.2596 -1.0475 -0.9072 -0.8030 -0.4378 -0.3849 0.1231 0.2226 0.3648 0.3708 1.2291 1.2361 1.5612 1.6131 2.0451 2.0508 2.4069 2.4539 2.7864 2.8090 2.9439 2.9518 3.0618 3.0825 3.3548 3.4169 3.7388 3.8109 7.9038 8.2133 9.6025 9.9497 10.4773 10.8785 11.8671 11.8768 12.4013 12.4679 k = 0.3587 0.2517-0.1225 ( 4096 PWs) bands (ev): -15.8375 -15.8346 -15.0071 -14.9985 -14.6908 -14.6871 -14.1301 -14.1235 -13.7941 -13.7815 -13.6040 -13.5951 -6.1423 -6.1305 -4.2058 -4.1996 -3.0741 -3.0574 -2.4542 -2.4323 -1.7531 -1.7482 -1.2377 -1.0326 -0.8885 -0.7909 -0.4550 -0.4023 0.0860 0.1839 0.3837 0.3883 1.2168 1.2226 1.5334 1.5805 2.0140 2.0201 2.3978 2.4394 2.7931 2.8099 2.9485 2.9564 3.0796 3.0947 3.3790 3.4386 3.7618 3.8340 7.9071 8.2027 9.6115 9.9394 10.5050 10.8865 11.8939 11.9045 12.4031 12.4646 k = 0.3696 0.2593-0.1262 ( 4094 PWs) bands (ev): -15.8053 -15.8025 -15.0119 -15.0033 -14.7181 -14.7136 -14.1284 -14.1217 -13.8018 -13.7896 -13.6042 -13.5963 -6.1726 -6.1616 -4.1641 -4.1581 -3.0684 -3.0509 -2.4761 -2.4538 -1.7275 -1.7217 -1.2141 -1.0178 -0.8677 -0.7763 -0.4702 -0.4182 0.0497 0.1457 0.4036 0.4073 1.2023 1.2063 1.5068 1.5484 1.9837 1.9900 2.3873 2.4237 2.7998 2.8119 2.9539 2.9617 3.0955 3.1059 3.4041 3.4602 3.7834 3.8549 7.9115 8.1917 9.6212 9.9287 10.5328 10.8925 11.9198 11.9312 12.4034 12.4608 k = 0.3804 0.2669-0.1299 ( 4094 PWs) bands (ev): -15.7728 -15.7702 -15.0185 -15.0101 -14.7440 -14.7389 -14.1263 -14.1195 -13.8095 -13.7980 -13.6040 -13.5970 -6.2008 -6.1905 -4.1231 -4.1174 -3.0626 -3.0442 -2.5017 -2.4789 -1.7031 -1.6961 -1.1890 -1.0034 -0.8453 -0.7594 -0.4833 -0.4326 0.0143 0.1081 0.4243 0.4277 1.1852 1.1873 1.4820 1.5176 1.9544 1.9607 2.3756 2.4074 2.8065 2.8149 2.9600 2.9675 3.1094 3.1161 3.4296 3.4815 3.8035 3.8736 7.9169 8.1802 9.6316 9.9176 10.5604 10.8965 11.9446 11.9570 12.4025 12.4566 k = 0.3913 0.2746-0.1336 ( 4096 PWs) bands (ev): -15.7402 -15.7377 -15.0273 -15.0192 -14.7679 -14.7623 -14.1239 -14.1172 -13.8172 -13.8063 -13.6034 -13.5973 -6.2268 -6.2173 -4.0833 -4.0779 -3.0563 -3.0373 -2.5302 -2.5070 -1.6802 -1.6719 -1.1630 -0.9897 -0.8215 -0.7407 -0.4943 -0.4454 -0.0199 0.0711 0.4455 0.4494 1.1641 1.1666 1.4596 1.4889 1.9264 1.9327 2.3631 2.3909 2.8129 2.8187 2.9666 2.9736 3.1213 3.1252 3.4551 3.5022 3.8222 3.8901 7.9233 8.1683 9.6426 9.9061 10.5876 10.8985 11.9682 11.9815 12.4004 12.4518 k = 0.4022 0.2822-0.1374 ( 4103 PWs) bands (ev): -15.7076 -15.7052 -15.0388 -15.0311 -14.7892 -14.7834 -14.1212 -14.1147 -13.8246 -13.8145 -13.6025 -13.5973 -6.2505 -6.2418 -4.0450 -4.0399 -3.0495 -3.0298 -2.5608 -2.5374 -1.6590 -1.6494 -1.1363 -0.9771 -0.7969 -0.7204 -0.5031 -0.4568 -0.0530 0.0350 0.4674 0.4720 1.1391 1.1442 1.4399 1.4632 1.9001 1.9062 2.3504 2.3745 2.8189 2.8232 2.9733 2.9797 3.1313 3.1333 3.4800 3.5219 3.8395 3.9043 7.9307 8.1559 9.6542 9.8942 10.6143 10.8984 11.9907 12.0048 12.3975 12.4465 k = 0.4130 0.2898-0.1411 ( 4107 PWs) bands (ev): -15.6753 -15.6730 -15.0529 -15.0458 -14.8074 -14.8017 -14.1184 -14.1121 -13.8318 -13.8224 -13.6015 -13.5970 -6.2718 -6.2640 -4.0087 -4.0039 -3.0418 -3.0216 -2.5928 -2.5694 -1.6397 -1.6292 -1.1096 -0.9656 -0.7716 -0.6991 -0.5098 -0.4667 -0.0846 -0.0003 0.4899 0.4952 1.1115 1.1193 1.4231 1.4407 1.8756 1.8814 2.3379 2.3587 2.8244 2.8282 2.9800 2.9858 3.1394 3.1406 3.5040 3.5405 3.8553 3.9161 7.9391 8.1432 9.6663 9.8819 10.6405 10.8964 12.0118 12.0267 12.3939 12.4405 k = 0.4239 0.2974-0.1448 ( 4107 PWs) bands (ev): -15.6434 -15.6413 -15.0695 -15.0632 -14.8224 -14.8170 -14.1155 -14.1097 -13.8384 -13.8298 -13.6004 -13.5966 -6.2906 -6.2838 -3.9748 -3.9705 -3.0332 -3.0127 -2.6255 -2.6022 -1.6225 -1.6114 -1.0832 -0.9558 -0.7461 -0.6774 -0.5144 -0.4752 -0.1145 -0.0346 0.5129 0.5189 1.0821 1.0921 1.4091 1.4219 1.8533 1.8587 2.3261 2.3437 2.8294 2.8331 2.9865 2.9917 3.1457 3.1472 3.5265 3.5577 3.8698 3.9257 7.9484 8.1300 9.6788 9.8693 10.6660 10.8925 12.0316 12.0468 12.3902 12.4339 k = 0.4348 0.3051-0.1485 ( 4109 PWs) bands (ev): -15.6125 -15.6106 -15.0883 -15.0829 -14.8342 -14.8293 -14.1127 -14.1074 -13.8444 -13.8368 -13.5992 -13.5961 -6.3070 -6.3011 -3.9439 -3.9400 -3.0234 -3.0029 -2.6580 -2.6350 -1.6073 -1.5963 -1.0579 -0.9478 -0.7208 -0.6562 -0.5170 -0.4823 -0.1423 -0.0678 0.5360 0.5427 1.0519 1.0633 1.3977 1.4065 1.8333 1.8382 2.3152 2.3300 2.8340 2.8376 2.9927 2.9971 3.1509 3.1528 3.5471 3.5731 3.8829 3.9330 7.9585 8.1165 9.6916 9.8563 10.6906 10.8867 12.0498 12.0650 12.3865 12.4268 k = 0.4457 0.3127-0.1522 ( 4109 PWs) bands (ev): -15.5830 -15.5814 -15.1083 -15.1038 -14.8431 -14.8390 -14.1100 -14.1053 -13.8496 -13.8430 -13.5982 -13.5956 -6.3208 -6.3159 -3.9165 -3.9130 -3.0126 -2.9924 -2.6894 -2.6672 -1.5942 -1.5838 -1.0341 -0.9418 -0.6962 -0.6368 -0.5174 -0.4880 -0.1673 -0.0995 0.5590 0.5661 1.0220 1.0339 1.3886 1.3944 1.8160 1.8203 2.3056 2.3178 2.8382 2.8415 2.9982 3.0020 3.1552 3.1571 3.5654 3.5864 3.8947 3.9381 7.9694 8.1028 9.7048 9.8431 10.7142 10.8790 12.0663 12.0808 12.3833 12.4194 k = 0.4565 0.3203-0.1559 ( 4105 PWs) bands (ev): -15.5557 -15.5544 -15.1283 -15.1249 -14.8497 -14.8463 -14.1075 -14.1036 -13.8539 -13.8485 -13.5972 -13.5952 -6.3321 -6.3281 -3.8930 -3.8901 -3.0006 -2.9815 -2.7185 -2.6978 -1.5833 -1.5741 -1.0123 -0.9383 -0.6728 -0.6205 -0.5158 -0.4925 -0.1886 -0.1293 0.5813 0.5883 0.9938 1.0053 1.3815 1.3852 1.8015 1.8051 2.2976 2.3072 2.8418 2.8448 3.0031 3.0061 3.1586 3.1605 3.5812 3.5975 3.9052 3.9411 7.9810 8.0889 9.7183 9.8296 10.7369 10.8696 12.0808 12.0940 12.3810 12.4118 k = 0.4674 0.3279-0.1596 ( 4099 PWs) bands (ev): -15.5318 -15.5308 -15.1470 -15.1444 -14.8542 -14.8517 -14.1053 -14.1023 -13.8572 -13.8530 -13.5964 -13.5949 -6.3408 -6.3378 -3.8740 -3.8718 -2.9881 -2.9710 -2.7440 -2.7258 -1.5744 -1.5669 -0.9928 -0.9373 -0.6514 -0.6089 -0.5123 -0.4956 -0.2049 -0.1566 0.6018 0.6082 0.9688 0.9789 1.3763 1.3785 1.7902 1.7930 2.2914 2.2986 2.8448 2.8472 3.0071 3.0093 3.1613 3.1629 3.5941 3.6060 3.9145 3.9422 7.9933 8.0749 9.7320 9.8158 10.7583 10.8584 12.0932 12.1041 12.3798 12.4042 k = 0.4783 0.3356-0.1633 ( 4097 PWs) bands (ev): -15.5127 -15.5120 -15.1625 -15.1608 -14.8571 -14.8554 -14.1035 -14.1015 -13.8594 -13.8566 -13.5957 -13.5947 -6.3469 -6.3449 -3.8600 -3.8585 -2.9758 -2.9624 -2.7637 -2.7496 -1.5676 -1.5624 -0.9761 -0.9391 -0.6329 -0.6028 -0.5079 -0.4977 -0.2150 -0.1804 0.6191 0.6242 0.9490 0.9567 1.3727 1.3739 1.7821 1.7840 2.2872 2.2919 2.8472 2.8489 3.0101 3.0116 3.1633 3.1644 3.6040 3.6117 3.9226 3.9414 8.0061 8.0608 9.7459 9.8019 10.7786 10.8455 12.1030 12.1109 12.3801 12.3972 k = 0.4891 0.3432-0.1671 ( 4103 PWs) bands (ev): -15.5001 -15.4997 -15.1727 -15.1719 -14.8585 -14.8577 -14.1022 -14.1012 -13.8604 -13.8590 -13.5952 -13.5947 -6.3503 -6.3493 -3.8513 -3.8505 -2.9652 -2.9576 -2.7752 -2.7673 -1.5630 -1.5603 -0.9623 -0.9438 -0.6181 -0.6025 -0.5039 -0.4992 -0.2175 -0.1994 0.6315 0.6343 0.9368 0.9410 1.3707 1.3712 1.7773 1.7783 2.2851 2.2875 2.8488 2.8497 3.0121 3.0129 3.1646 3.1652 3.6107 3.6145 3.9294 3.9389 8.0193 8.0468 9.7598 9.7879 10.7975 10.8310 12.1100 12.1141 12.3821 12.3909 k = 0.5000 0.3508-0.1708 ( 4108 PWs) bands (ev): -15.4956 -15.4956 -15.1761 -15.1761 -14.8587 -14.8587 -14.1014 -14.1014 -13.8603 -13.8603 -13.5948 -13.5948 -6.3512 -6.3512 -3.8481 -3.8481 -2.9586 -2.9586 -2.7765 -2.7765 -1.5605 -1.5605 -0.9515 -0.9515 -0.6077 -0.6077 -0.5010 -0.5010 -0.2122 -0.2122 0.6369 0.6369 0.9340 0.9340 1.3702 1.3702 1.7761 1.7761 2.2852 2.2852 2.8497 2.8497 3.0131 3.0131 3.1652 3.1652 3.6142 3.6142 3.9349 3.9349 8.0329 8.0329 9.7739 9.7739 10.8150 10.8150 12.1138 12.1138 12.3858 12.3858 k = 0.5000 0.3508-0.1708 ( 4108 PWs) bands (ev): -15.4956 -15.4956 -15.1761 -15.1761 -14.8587 -14.8587 -14.1014 -14.1014 -13.8603 -13.8603 -13.5948 -13.5948 -6.3512 -6.3512 -3.8481 -3.8481 -2.9586 -2.9586 -2.7765 -2.7765 -1.5605 -1.5605 -0.9515 -0.9515 -0.6077 -0.6077 -0.5010 -0.5010 -0.2122 -0.2122 0.6369 0.6369 0.9340 0.9340 1.3702 1.3702 1.7761 1.7761 2.2852 2.2852 2.8497 2.8497 3.0131 3.0131 3.1652 3.1652 3.6142 3.6142 3.9349 3.9349 8.0329 8.0329 9.7739 9.7739 10.8150 10.8150 12.1138 12.1138 12.3858 12.3858 k = 0.5029 0.3528-0.1582 ( 4107 PWs) bands (ev): -15.4957 -15.4957 -15.1760 -15.1758 -14.8591 -14.8586 -14.1021 -14.1012 -13.8605 -13.8595 -13.5951 -13.5948 -6.3505 -6.3498 -3.8507 -3.8494 -2.9601 -2.9580 -2.7780 -2.7755 -1.5594 -1.5583 -0.9546 -0.9496 -0.6126 -0.6039 -0.5072 -0.4924 -0.2151 -0.2070 0.6365 0.6371 0.9323 0.9337 1.3694 1.3702 1.7754 1.7791 2.2795 2.2884 2.8481 2.8519 3.0114 3.0167 3.1641 3.1653 3.6133 3.6139 3.9327 3.9369 8.0295 8.0367 9.7693 9.7786 10.8101 10.8188 12.1131 12.1144 12.3798 12.3918 k = 0.5058 0.3549-0.1456 ( 4109 PWs) bands (ev): -15.4962 -15.4961 -15.1753 -15.1750 -14.8596 -14.8587 -14.1032 -14.1014 -13.8600 -13.8581 -13.5955 -13.5949 -6.3477 -6.3463 -3.8573 -3.8546 -2.9624 -2.9583 -2.7799 -2.7749 -1.5552 -1.5530 -0.9588 -0.9490 -0.6177 -0.6014 -0.5104 -0.4822 -0.2157 -0.1998 0.6357 0.6370 0.9287 0.9316 1.3678 1.3695 1.7769 1.7844 2.2718 2.2890 2.8473 2.8548 3.0119 3.0224 3.1621 3.1645 3.6114 3.6126 3.9302 3.9386 8.0264 8.0407 9.7649 9.7834 10.8042 10.8214 12.1124 12.1151 12.3739 12.3977 k = 0.5086 0.3569-0.1331 ( 4109 PWs) bands (ev): -15.4970 -15.4969 -15.1743 -15.1737 -14.8604 -14.8591 -14.1048 -14.1021 -13.8589 -13.8562 -13.5961 -13.5951 -6.3429 -6.3408 -3.8677 -3.8638 -2.9657 -2.9595 -2.7820 -2.7747 -1.5480 -1.5448 -0.9643 -0.9497 -0.6226 -0.6002 -0.5102 -0.4708 -0.2140 -0.1906 0.6344 0.6364 0.9235 0.9276 1.3654 1.3680 1.7804 1.7918 2.2624 2.2871 2.8473 2.8583 3.0143 3.0297 3.1593 3.1628 3.6085 3.6102 3.9275 3.9401 8.0237 8.0450 9.7608 9.7882 10.7973 10.8229 12.1118 12.1158 12.3682 12.4033 k = 0.5115 0.3589-0.1205 ( 4104 PWs) bands (ev): -15.4981 -15.4980 -15.1727 -15.1720 -14.8613 -14.8596 -14.1066 -14.1032 -13.8571 -13.8537 -13.5969 -13.5956 -6.3360 -6.3332 -3.8817 -3.8769 -2.9698 -2.9617 -2.7839 -2.7745 -1.5383 -1.5343 -0.9711 -0.9519 -0.6265 -0.5998 -0.5070 -0.4588 -0.2100 -0.1795 0.6324 0.6354 0.9172 0.9223 1.3623 1.3657 1.7855 1.8011 2.2521 2.2830 2.8479 2.8624 3.0185 3.0384 3.1557 3.1603 3.6044 3.6068 3.9245 3.9414 8.0214 8.0496 9.7570 9.7931 10.7895 10.8233 12.1112 12.1165 12.3627 12.4084 k = 0.5144 0.3609-0.1079 ( 4102 PWs) bands (ev): -15.4995 -15.4994 -15.1707 -15.1699 -14.8624 -14.8603 -14.1087 -14.1047 -13.8549 -13.8508 -13.5978 -13.5962 -6.3271 -6.3237 -3.8993 -3.8936 -2.9749 -2.9648 -2.7854 -2.7741 -1.5267 -1.5221 -0.9792 -0.9558 -0.6289 -0.5991 -0.5013 -0.4466 -0.2036 -0.1667 0.6294 0.6335 0.9101 0.9159 1.3583 1.3626 1.7917 1.8118 2.2415 2.2770 2.8492 2.8671 3.0241 3.0481 3.1516 3.1570 3.5993 3.6022 3.9213 3.9424 8.0194 8.0543 9.7535 9.7979 10.7810 10.8226 12.1107 12.1174 12.3573 12.4128 k = 0.5173 0.3629-0.0954 ( 4102 PWs) bands (ev): -15.5013 -15.5012 -15.1683 -15.1673 -14.8635 -14.8611 -14.1110 -14.1065 -13.8523 -13.8476 -13.5990 -13.5970 -6.3164 -6.3123 -3.9203 -3.9139 -2.9806 -2.9688 -2.7860 -2.7733 -1.5138 -1.5088 -0.9887 -0.9616 -0.6294 -0.5973 -0.4937 -0.4345 -0.1950 -0.1523 0.6251 0.6304 0.9028 0.9091 1.3535 1.3587 1.7986 1.8235 2.2314 2.2698 2.8511 2.8722 3.0309 3.0584 3.1469 3.1531 3.5931 3.5964 3.9179 3.9433 8.0178 8.0592 9.7503 9.8027 10.7717 10.8207 12.1105 12.1184 12.3519 12.4162 k = 0.5201 0.3650-0.0828 ( 4097 PWs) bands (ev): -15.5034 -15.5034 -15.1654 -15.1642 -14.8647 -14.8620 -14.1134 -14.1085 -13.8493 -13.8442 -13.6002 -13.5979 -6.3038 -6.2991 -3.9443 -3.9375 -2.9870 -2.9737 -2.7856 -2.7716 -1.5003 -1.4952 -0.9997 -0.9693 -0.6274 -0.5936 -0.4847 -0.4225 -0.1841 -0.1364 0.6191 0.6260 0.8959 0.9024 1.3477 1.3540 1.8054 1.8355 2.2228 2.2621 2.8535 2.8777 3.0382 3.0690 3.1421 3.1489 3.5858 3.5896 3.9144 3.9441 8.0166 8.0642 9.7475 9.8073 10.7618 10.8179 12.1104 12.1196 12.3466 12.4184 k = 0.5230 0.3670-0.0702 ( 4102 PWs) bands (ev): -15.5060 -15.5059 -15.1621 -15.1608 -14.8660 -14.8629 -14.1159 -14.1106 -13.8460 -13.8407 -13.6016 -13.5990 -6.2894 -6.2842 -3.9711 -3.9642 -2.9939 -2.9793 -2.7840 -2.7691 -1.4870 -1.4818 -1.0121 -0.9791 -0.6228 -0.5875 -0.4747 -0.4109 -0.1712 -0.1192 0.6113 0.6198 0.8901 0.8964 1.3409 1.3483 1.8115 1.8472 2.2165 2.2550 2.8562 2.8835 3.0457 3.0794 3.1372 3.1445 3.5774 3.5816 3.9106 3.9447 8.0156 8.0694 9.7451 9.8119 10.7515 10.8142 12.1105 12.1211 12.3412 12.4192 k = 0.5259 0.3690-0.0576 ( 4104 PWs) bands (ev): -15.5090 -15.5089 -15.1584 -15.1569 -14.8671 -14.8637 -14.1183 -14.1129 -13.8426 -13.8371 -13.6031 -13.6002 -6.2735 -6.2677 -4.0003 -3.9934 -3.0011 -2.9856 -2.7810 -2.7655 -1.4743 -1.4693 -1.0259 -0.9909 -0.6154 -0.5788 -0.4637 -0.3998 -0.1564 -0.1008 0.6014 0.6116 0.8858 0.8917 1.3328 1.3416 1.8164 1.8578 2.2134 2.2495 2.8593 2.8895 3.0527 3.0893 3.1324 3.1403 3.5679 3.5725 3.9068 3.9452 8.0148 8.0746 9.7430 9.8164 10.7407 10.8097 12.1108 12.1229 12.3357 12.4185 k = 0.5288 0.3710-0.0451 ( 4112 PWs) bands (ev): -15.5126 -15.5123 -15.1542 -15.1526 -14.8681 -14.8645 -14.1206 -14.1151 -13.8392 -13.8336 -13.6048 -13.6015 -6.2561 -6.2498 -4.0316 -4.0250 -3.0083 -2.9922 -2.7768 -2.7610 -1.4629 -1.4581 -1.0409 -1.0044 -0.6055 -0.5675 -0.4518 -0.3892 -0.1398 -0.0814 0.5894 0.6013 0.8834 0.8888 1.3233 1.3337 1.8197 1.8666 2.2143 2.2466 2.8626 2.8954 3.0586 3.0979 3.1281 3.1369 3.5574 3.5624 3.9029 3.9456 8.0143 8.0800 9.7414 9.8207 10.7296 10.8045 12.1112 12.1249 12.3301 12.4160 k = 0.5316 0.3730-0.0325 ( 4117 PWs) bands (ev): -15.5166 -15.5162 -15.1497 -15.1480 -14.8690 -14.8651 -14.1228 -14.1173 -13.8357 -13.8302 -13.6065 -13.6029 -6.2373 -6.2306 -4.0645 -4.0585 -3.0155 -2.9990 -2.7713 -2.7554 -1.4531 -1.4485 -1.0569 -1.0194 -0.5935 -0.5537 -0.4390 -0.3793 -0.1217 -0.0611 0.5756 0.5889 0.8832 0.8881 1.3122 1.3245 1.8211 1.8730 2.2195 2.2472 2.8659 2.9012 3.0630 3.1044 3.1248 3.1348 3.5458 3.5511 3.8991 3.9460 8.0138 8.0854 9.7402 9.8249 10.7184 10.7987 12.1117 12.1273 12.3245 12.4117 k = 0.5345 0.3751-0.0199 ( 4117 PWs) bands (ev): -15.5212 -15.5205 -15.1448 -15.1430 -14.8696 -14.8655 -14.1248 -14.1194 -13.8324 -13.8271 -13.6084 -13.6044 -6.2174 -6.2103 -4.0987 -4.0933 -3.0224 -3.0059 -2.7647 -2.7489 -1.4454 -1.4409 -1.0738 -1.0357 -0.5799 -0.5379 -0.4253 -0.3701 -0.1024 -0.0401 0.5602 0.5747 0.8853 0.8897 1.2993 1.3136 1.8210 1.8767 2.2293 2.2522 2.8693 2.9067 3.0657 3.1069 3.1242 3.1340 3.5332 3.5388 3.8953 3.9465 8.0133 8.0909 9.7393 9.8290 10.7070 10.7924 12.1120 12.1299 12.3190 12.4057 k = 0.5374 0.3771-0.0074 ( 4112 PWs) bands (ev): -15.5263 -15.5254 -15.1395 -15.1376 -14.8699 -14.8656 -14.1265 -14.1213 -13.8294 -13.8242 -13.6102 -13.6060 -6.1965 -6.1891 -4.1336 -4.1290 -3.0290 -3.0126 -2.7570 -2.7415 -1.4400 -1.4352 -1.0913 -1.0528 -0.5655 -0.5202 -0.4104 -0.3617 -0.0823 -0.0188 0.5439 0.5590 0.8898 0.8938 1.2842 1.3009 1.8197 1.8778 2.2434 2.2618 2.8725 2.9117 3.0668 3.1049 3.1265 3.1344 3.5197 3.5256 3.8917 3.9470 8.0127 8.0964 9.7388 9.8330 10.6957 10.7859 12.1121 12.1328 12.3137 12.3979 k = 0.5403 0.3791 0.0052 ( 4110 PWs) bands (ev): -15.5319 -15.5309 -15.1340 -15.1319 -14.8698 -14.8655 -14.1278 -14.1229 -13.8266 -13.8217 -13.6122 -13.6076 -6.1749 -6.1673 -4.1688 -4.1652 -3.0353 -3.0192 -2.7484 -2.7332 -1.4369 -1.4315 -1.1092 -1.0706 -0.5511 -0.5011 -0.3943 -0.3543 -0.0619 0.0026 0.5272 0.5425 0.8966 0.9003 1.2668 1.2860 1.8178 1.8767 2.2615 2.2760 2.8755 2.9162 3.0668 3.1010 3.1292 3.1352 3.5054 3.5115 3.8884 3.9477 8.0120 8.1021 9.7385 9.8369 10.6844 10.7791 12.1116 12.1358 12.3088 12.3885 k = 0.5403 0.3791 0.0052 ( 4110 PWs) bands (ev): -15.5319 -15.5309 -15.1340 -15.1319 -14.8698 -14.8655 -14.1278 -14.1229 -13.8266 -13.8217 -13.6122 -13.6076 -6.1749 -6.1673 -4.1688 -4.1652 -3.0353 -3.0192 -2.7484 -2.7332 -1.4369 -1.4315 -1.1092 -1.0706 -0.5511 -0.5011 -0.3943 -0.3543 -0.0619 0.0026 0.5272 0.5425 0.8966 0.9003 1.2668 1.2860 1.8178 1.8767 2.2615 2.2760 2.8755 2.9162 3.0668 3.1010 3.1292 3.1352 3.5054 3.5115 3.8884 3.9477 8.0120 8.1021 9.7385 9.8369 10.6844 10.7791 12.1116 12.1358 12.3088 12.3885 k = 0.5372 0.3769 0.0183 ( 4114 PWs) bands (ev): -15.5302 -15.5291 -15.1295 -15.1267 -14.8740 -14.8690 -14.1273 -14.1226 -13.8270 -13.8225 -13.6168 -13.6122 -6.1568 -6.1494 -4.1973 -4.1940 -3.0460 -3.0306 -2.7319 -2.7170 -1.4284 -1.4226 -1.1229 -1.0885 -0.5369 -0.4882 -0.3864 -0.3388 -0.0550 0.0066 0.5195 0.5348 0.8826 0.8867 1.2498 1.2701 1.8206 1.8783 2.2905 2.3015 2.8855 2.9242 3.0656 3.0971 3.1290 3.1347 3.4880 3.4945 3.8949 3.9520 8.0142 8.0981 9.7438 9.8359 10.6845 10.7692 12.1046 12.1315 12.3093 12.3819 k = 0.5341 0.3747 0.0315 ( 4114 PWs) bands (ev): -15.5293 -15.5281 -15.1243 -15.1208 -14.8780 -14.8725 -14.1266 -14.1222 -13.8274 -13.8233 -13.6215 -13.6170 -6.1383 -6.1312 -4.2262 -4.2232 -3.0551 -3.0408 -2.7157 -2.7013 -1.4204 -1.4143 -1.1366 -1.1063 -0.5243 -0.4753 -0.3788 -0.3246 -0.0470 0.0111 0.5103 0.5255 0.8716 0.8759 1.2316 1.2528 1.8225 1.8776 2.3240 2.3326 2.8956 2.9319 3.0640 3.0927 3.1268 3.1328 3.4696 3.4765 3.9018 3.9563 8.0162 8.0939 9.7492 9.8347 10.6846 10.7598 12.0974 12.1263 12.3100 12.3754 k = 0.5310 0.3726 0.0446 ( 4108 PWs) bands (ev): -15.5290 -15.5278 -15.1185 -15.1144 -14.8817 -14.8758 -14.1260 -14.1218 -13.8277 -13.8240 -13.6262 -13.6219 -6.1196 -6.1128 -4.2550 -4.2523 -3.0629 -3.0496 -2.6999 -2.6863 -1.4128 -1.4064 -1.1502 -1.1237 -0.5130 -0.4631 -0.3711 -0.3123 -0.0379 0.0160 0.4999 0.5148 0.8635 0.8681 1.2125 1.2342 1.8239 1.8753 2.3613 2.3682 2.9057 2.9390 3.0622 3.0880 3.1225 3.1294 3.4506 3.4577 3.9091 3.9604 8.0183 8.0895 9.7545 9.8335 10.6847 10.7510 12.0903 12.1203 12.3107 12.3690 k = 0.5279 0.3704 0.0577 ( 4111 PWs) bands (ev): -15.5292 -15.5280 -15.1123 -15.1078 -14.8852 -14.8790 -14.1254 -14.1215 -13.8281 -13.8247 -13.6308 -13.6267 -6.1012 -6.0948 -4.2833 -4.2808 -3.0694 -3.0573 -2.6848 -2.6721 -1.4056 -1.3990 -1.1634 -1.1405 -0.5027 -0.4522 -0.3634 -0.3021 -0.0280 0.0212 0.4886 0.5030 0.8583 0.8633 1.1925 1.2144 1.8250 1.8720 2.4014 2.4075 2.9150 2.9451 3.0603 3.0828 3.1162 3.1244 3.4315 3.4386 3.9165 3.9642 8.0203 8.0850 9.7599 9.8320 10.6849 10.7427 12.0836 12.1136 12.3113 12.3628 k = 0.5248 0.3682 0.0709 ( 4109 PWs) bands (ev): -15.5297 -15.5286 -15.1059 -15.1011 -14.8884 -14.8820 -14.1248 -14.1212 -13.8284 -13.8254 -13.6353 -13.6313 -6.0832 -6.0773 -4.3104 -4.3081 -3.0748 -3.0639 -2.6707 -2.6590 -1.3988 -1.3922 -1.1760 -1.1565 -0.4932 -0.4429 -0.3554 -0.2939 -0.0174 0.0265 0.4769 0.4907 0.8561 0.8614 1.1720 1.1938 1.8261 1.8683 2.4438 2.4493 2.9231 2.9494 3.0584 3.0770 3.1087 3.1179 3.4127 3.4197 3.9240 3.9676 8.0224 8.0803 9.7653 9.8303 10.6852 10.7351 12.0773 12.1066 12.3120 12.3568 k = 0.5217 0.3660 0.0840 ( 4113 PWs) bands (ev): -15.5305 -15.5294 -15.0997 -15.0948 -14.8912 -14.8849 -14.1242 -14.1210 -13.8287 -13.8260 -13.6394 -13.6358 -6.0661 -6.0607 -4.3359 -4.3339 -3.0791 -3.0695 -2.6576 -2.6472 -1.3925 -1.3860 -1.1878 -1.1716 -0.4842 -0.4357 -0.3472 -0.2878 -0.0066 0.0318 0.4653 0.4781 0.8564 0.8622 1.1513 1.1726 1.8273 1.8644 2.4877 2.4928 2.9286 2.9512 3.0567 3.0704 3.1010 3.1105 3.3948 3.4013 3.9313 3.9705 8.0246 8.0757 9.7707 9.8283 10.6857 10.7282 12.0718 12.0995 12.3127 12.3512 k = 0.5186 0.3639 0.0972 ( 4115 PWs) bands (ev): -15.5313 -15.5303 -15.0936 -15.0889 -14.8936 -14.8876 -14.1236 -14.1208 -13.8289 -13.8266 -13.6431 -13.6399 -6.0502 -6.0455 -4.3592 -4.3575 -3.0825 -3.0742 -2.6458 -2.6367 -1.3866 -1.3803 -1.1987 -1.1854 -0.4757 -0.4306 -0.3387 -0.2836 0.0041 0.0369 0.4542 0.4659 0.8591 0.8652 1.1310 1.1513 1.8287 1.8605 2.5324 2.5374 2.9300 2.9492 3.0549 3.0635 3.0943 3.1028 3.3782 3.3841 3.9384 3.9728 8.0269 8.0710 9.7761 9.8260 10.6864 10.7219 12.0671 12.0924 12.3135 12.3458 k = 0.5155 0.3617 0.1103 ( 4110 PWs) bands (ev): -15.5322 -15.5313 -15.0881 -15.0836 -14.8955 -14.8900 -14.1231 -14.1207 -13.8291 -13.8272 -13.6464 -13.6436 -6.0360 -6.0319 -4.3799 -4.3784 -3.0851 -3.0781 -2.6355 -2.6277 -1.3812 -1.3754 -1.2083 -1.1977 -0.4677 -0.4275 -0.3301 -0.2813 0.0144 0.0414 0.4441 0.4544 0.8637 0.8701 1.1116 1.1304 1.8304 1.8569 2.5775 2.5822 2.9253 2.9420 3.0521 3.0587 3.0892 3.0960 3.3633 3.3685 3.9452 3.9743 8.0294 8.0663 9.7814 9.8234 10.6873 10.7163 12.0634 12.0856 12.3144 12.3410 k = 0.5124 0.3595 0.1234 ( 4106 PWs) bands (ev): -15.5329 -15.5322 -15.0832 -15.0793 -14.8970 -14.8923 -14.1226 -14.1206 -13.8292 -13.8277 -13.6491 -13.6468 -6.0236 -6.0202 -4.3975 -4.3963 -3.0870 -3.0814 -2.6266 -2.6203 -1.3763 -1.3712 -1.2165 -1.2085 -0.4601 -0.4263 -0.3216 -0.2807 0.0238 0.0451 0.4355 0.4441 0.8698 0.8761 1.0938 1.1105 1.8322 1.8534 2.6222 2.6268 2.9135 2.9282 3.0490 3.0570 3.0856 3.0905 3.3506 3.3548 3.9515 3.9751 8.0320 8.0617 9.7866 9.8205 10.6885 10.7112 12.0607 12.0792 12.3156 12.3365 k = 0.5093 0.3574 0.1366 ( 4104 PWs) bands (ev): -15.5336 -15.5330 -15.0790 -15.0758 -14.8980 -14.8942 -14.1222 -14.1207 -13.8292 -13.8281 -13.6512 -13.6494 -6.0135 -6.0109 -4.4117 -4.4107 -3.0882 -3.0839 -2.6194 -2.6146 -1.3721 -1.3680 -1.2231 -1.2173 -0.4531 -0.4268 -0.3135 -0.2817 0.0320 0.0478 0.4286 0.4353 0.8767 0.8825 1.0786 1.0924 1.8343 1.8501 2.6658 2.6702 2.8950 2.9076 3.0481 3.0563 3.0834 3.0868 3.3403 3.3436 3.9572 3.9751 8.0349 8.0573 9.7916 9.8172 10.6899 10.7067 12.0592 12.0735 12.3169 12.3324 k = 0.5062 0.3552 0.1497 ( 4106 PWs) bands (ev): -15.5341 -15.5337 -15.0757 -15.0735 -14.8985 -14.8959 -14.1218 -14.1208 -13.8292 -13.8285 -13.6527 -13.6515 -6.0060 -6.0042 -4.4220 -4.4214 -3.0888 -3.0860 -2.6140 -2.6108 -1.3687 -1.3658 -1.2278 -1.2241 -0.4467 -0.4286 -0.3058 -0.2842 0.0388 0.0492 0.4239 0.4285 0.8834 0.8880 1.0672 1.0772 1.8365 1.8471 2.7069 2.7113 2.8715 2.8816 3.0491 3.0555 3.0823 3.0845 3.3329 3.3351 3.9622 3.9743 8.0381 8.0530 9.7965 9.8137 10.6917 10.7028 12.0588 12.0685 12.3186 12.3288 k = 0.5031 0.3530 0.1628 ( 4100 PWs) bands (ev): -15.5343 -15.5341 -15.0735 -15.0723 -14.8986 -14.8972 -14.1214 -14.1209 -13.8291 -13.8287 -13.6534 -13.6528 -6.0012 -6.0003 -4.4282 -4.4279 -3.0888 -3.0874 -2.6104 -2.6088 -1.3662 -1.3647 -1.2303 -1.2285 -0.4409 -0.4317 -0.2989 -0.2879 0.0439 0.0491 0.4214 0.4238 0.8888 0.8914 1.0607 1.0661 1.8389 1.8442 2.7427 2.7466 2.8471 2.8538 3.0509 3.0543 3.0821 3.0832 3.3285 3.3296 3.9665 3.9725 8.0415 8.0489 9.8012 9.8098 10.6939 10.6994 12.0596 12.0645 12.3206 12.3257 k = 0.5000 0.3508 0.1760 ( 4102 PWs) bands (ev): -15.5343 -15.5343 -15.0723 -15.0723 -14.8981 -14.8981 -14.1211 -14.1211 -13.8290 -13.8290 -13.6535 -13.6535 -5.9993 -5.9993 -4.4302 -4.4302 -3.0884 -3.0884 -2.6086 -2.6086 -1.3649 -1.3649 -1.2306 -1.2306 -0.4359 -0.4359 -0.2929 -0.2929 0.0474 0.0474 0.4214 0.4214 0.8917 0.8917 1.0603 1.0603 1.8415 1.8415 2.7622 2.7622 2.8359 2.8359 3.0528 3.0528 3.0824 3.0824 3.3274 3.3274 3.9699 3.9699 8.0451 8.0451 9.8056 9.8056 10.6964 10.6964 12.0615 12.0615 12.3229 12.3229 k = 0.5000 0.3508 0.1760 ( 4102 PWs) bands (ev): -15.5343 -15.5343 -15.0723 -15.0723 -14.8981 -14.8981 -14.1211 -14.1211 -13.8290 -13.8290 -13.6535 -13.6535 -5.9993 -5.9993 -4.4302 -4.4302 -3.0884 -3.0884 -2.6086 -2.6086 -1.3649 -1.3649 -1.2306 -1.2306 -0.4359 -0.4359 -0.2929 -0.2929 0.0474 0.0474 0.4214 0.4214 0.8917 0.8917 1.0603 1.0603 1.8415 1.8415 2.7622 2.7622 2.8359 2.8359 3.0528 3.0528 3.0824 3.0824 3.3274 3.3274 3.9699 3.9699 8.0451 8.0451 9.8056 9.8056 10.6964 10.6964 12.0615 12.0615 12.3229 12.3229 k = 0.5078 0.3397 0.1760 ( 4098 PWs) bands (ev): -15.5353 -15.5348 -15.0724 -15.0724 -14.8975 -14.8973 -14.1213 -14.1213 -13.8287 -13.8285 -13.6534 -13.6533 -5.9990 -5.9990 -4.4317 -4.4293 -3.0889 -3.0872 -2.6086 -2.6084 -1.3663 -1.3659 -1.2357 -1.2273 -0.4385 -0.4354 -0.2940 -0.2936 0.0455 0.0513 0.4213 0.4217 0.8908 0.8958 1.0621 1.0621 1.8427 1.8432 2.7608 2.7613 2.8362 2.8363 3.0438 3.0586 3.0770 3.0915 3.3270 3.3270 3.9688 3.9692 8.0335 8.0583 9.8021 9.8094 10.6953 10.6970 12.0596 12.0603 12.3215 12.3216 k = 0.5156 0.3285 0.1760 ( 4100 PWs) bands (ev): -15.5376 -15.5368 -15.0727 -15.0727 -14.8956 -14.8952 -14.1219 -14.1218 -13.8278 -13.8274 -13.6531 -13.6528 -5.9984 -5.9983 -4.4338 -4.4291 -3.0888 -3.0854 -2.6083 -2.6079 -1.3702 -1.3694 -1.2422 -1.2256 -0.4432 -0.4371 -0.2970 -0.2962 0.0457 0.0573 0.4214 0.4223 0.8931 0.9030 1.0673 1.0674 1.8467 1.8478 2.7571 2.7580 2.8372 2.8372 3.0345 3.0553 3.0810 3.1014 3.3257 3.3258 3.9658 3.9665 8.0236 8.0732 9.7990 9.8136 10.6935 10.6971 12.0546 12.0560 12.3174 12.3176 k = 0.5235 0.3174 0.1760 ( 4098 PWs) bands (ev): -15.5414 -15.5402 -15.0732 -15.0732 -14.8924 -14.8918 -14.1227 -14.1226 -13.8262 -13.8256 -13.6526 -13.6522 -5.9973 -5.9972 -4.4366 -4.4296 -3.0880 -3.0830 -2.6079 -2.6072 -1.3766 -1.3754 -1.2502 -1.2255 -0.4499 -0.4409 -0.3017 -0.3006 0.0480 0.0652 0.4218 0.4230 0.8985 0.9133 1.0759 1.0760 1.8537 1.8553 2.7511 2.7523 2.8387 2.8388 3.0254 3.0474 3.0901 3.1115 3.3235 3.3237 3.9610 3.9620 8.0153 8.0897 9.7963 9.8181 10.6912 10.6967 12.0464 12.0486 12.3107 12.3109 k = 0.5313 0.3063 0.1760 ( 4102 PWs) bands (ev): -15.5465 -15.5449 -15.0740 -15.0739 -14.8879 -14.8871 -14.1238 -14.1236 -13.8239 -13.8231 -13.6518 -13.6512 -5.9958 -5.9956 -4.4399 -4.4307 -3.0866 -3.0801 -2.6072 -2.6064 -1.3853 -1.3838 -1.2595 -1.2271 -0.4584 -0.4469 -0.3079 -0.3066 0.0522 0.0750 0.4224 0.4240 0.9069 0.9266 1.0875 1.0877 1.8634 1.8655 2.7428 2.7444 2.8409 2.8410 3.0168 3.0388 3.1002 3.1216 3.3206 3.3208 3.9543 3.9557 8.0085 8.1077 9.7939 9.8229 10.6881 10.6958 12.0353 12.0384 12.3015 12.3018 k = 0.5391 0.2951 0.1760 ( 4104 PWs) bands (ev): -15.5530 -15.5510 -15.0749 -15.0748 -14.8821 -14.8812 -14.1252 -14.1250 -13.8210 -13.8201 -13.6507 -13.6501 -5.9938 -5.9936 -4.4439 -4.4326 -3.0846 -3.0768 -2.6064 -2.6054 -1.3963 -1.3945 -1.2698 -1.2301 -0.4686 -0.4548 -0.3154 -0.3139 0.0583 0.0866 0.4232 0.4252 0.9181 0.9427 1.1020 1.1022 1.8759 1.8786 2.7325 2.7344 2.8437 2.8438 3.0087 3.0303 3.1104 3.1315 3.3167 3.3170 3.9458 3.9475 8.0032 8.1273 9.7920 9.8280 10.6845 10.6946 12.0213 12.0254 12.2900 12.2903 k = 0.5469 0.2840 0.1760 ( 4106 PWs) bands (ev): -15.5606 -15.5584 -15.0760 -15.0760 -14.8752 -14.8742 -14.1267 -14.1265 -13.8176 -13.8164 -13.6494 -13.6487 -5.9913 -5.9911 -4.4484 -4.4351 -3.0819 -3.0730 -2.6056 -2.6045 -1.4094 -1.4073 -1.2810 -1.2343 -0.4803 -0.4646 -0.3239 -0.3223 0.0662 0.0997 0.4242 0.4264 0.9319 0.9613 1.1189 1.1190 1.8911 1.8943 2.7202 2.7223 2.8470 2.8472 3.0011 3.0221 3.1206 3.1411 3.3121 3.3124 3.9356 3.9377 7.9993 8.1482 9.7905 9.8336 10.6801 10.6931 12.0047 12.0099 12.2763 12.2766 k = 0.5547 0.2728 0.1760 ( 4106 PWs) bands (ev): -15.5695 -15.5669 -15.0774 -15.0773 -14.8671 -14.8660 -14.1284 -14.1282 -13.8136 -13.8123 -13.6479 -13.6470 -5.9883 -5.9880 -4.4535 -4.4382 -3.0787 -3.0689 -2.6049 -2.6035 -1.4246 -1.4222 -1.2927 -1.2396 -0.4932 -0.4759 -0.3330 -0.3316 0.0758 0.1143 0.4253 0.4278 0.9483 0.9824 1.1378 1.1380 1.9089 1.9125 2.7061 2.7084 2.8510 2.8512 2.9942 3.0143 3.1305 3.1504 3.3066 3.3069 3.9238 3.9261 7.9968 8.1705 9.7896 9.8395 10.6750 10.6914 11.9855 11.9920 12.2608 12.2610 k = 0.5625 0.2617 0.1760 ( 4108 PWs) bands (ev): -15.5795 -15.5766 -15.0791 -15.0789 -14.8580 -14.8569 -14.1302 -14.1299 -13.8091 -13.8076 -13.6462 -13.6452 -5.9848 -5.9845 -4.4591 -4.4421 -3.0750 -3.0645 -2.6043 -2.6028 -1.4417 -1.4390 -1.3047 -1.2458 -0.5072 -0.4886 -0.3426 -0.3415 0.0868 0.1300 0.4265 0.4292 0.9668 1.0056 1.1585 1.1587 1.9291 1.9331 2.6903 2.6928 2.8556 2.8558 2.9877 3.0070 3.1401 3.1594 3.3003 3.3007 3.9104 3.9130 7.9954 8.1939 9.7891 9.8457 10.6693 10.6895 11.9641 11.9720 12.2435 12.2438 k = 0.5704 0.2505 0.1760 ( 4104 PWs) bands (ev): -15.5904 -15.5873 -15.0809 -15.0808 -14.8479 -14.8468 -14.1320 -14.1317 -13.8042 -13.8026 -13.6442 -13.6432 -5.9807 -5.9804 -4.4653 -4.4466 -3.0708 -3.0600 -2.6039 -2.6023 -1.4605 -1.4577 -1.3168 -1.2526 -0.5218 -0.5022 -0.3524 -0.3518 0.0990 0.1468 0.4276 0.4306 0.9873 1.0307 1.1807 1.1808 1.9516 1.9560 2.6732 2.6758 2.8607 2.8610 2.9817 3.0000 3.1493 3.1679 3.2932 3.2937 3.8956 3.8984 7.9950 8.2182 9.7893 9.8523 10.6628 10.6876 11.9407 11.9502 12.2249 12.2251 k = 0.5782 0.2394 0.1760 ( 4102 PWs) bands (ev): -15.6023 -15.5990 -15.0831 -15.0830 -14.8369 -14.8357 -14.1338 -14.1335 -13.7988 -13.7971 -13.6421 -13.6409 -5.9762 -5.9758 -4.4719 -4.4517 -3.0662 -3.0554 -2.6040 -2.6022 -1.4809 -1.4779 -1.3286 -1.2597 -0.5369 -0.5165 -0.3622 -0.3621 0.1124 0.1643 0.4288 0.4319 1.0094 1.0575 1.2039 1.2040 1.9760 1.9808 2.6549 2.6576 2.8664 2.8668 2.9762 2.9933 3.1580 3.1759 3.2854 3.2858 3.8794 3.8825 7.9955 8.2434 9.7900 9.8592 10.6556 10.6858 11.9157 11.9267 12.2050 12.2052 k = 0.5860 0.2283 0.1760 ( 4112 PWs) bands (ev): -15.6151 -15.6116 -15.0856 -15.0854 -14.8250 -14.8239 -14.1355 -14.1352 -13.7932 -13.7913 -13.6397 -13.6385 -5.9710 -5.9706 -4.4790 -4.4575 -3.0613 -3.0508 -2.6045 -2.6027 -1.5027 -1.4996 -1.3401 -1.2670 -0.5521 -0.5312 -0.3724 -0.3718 0.1267 0.1824 0.4298 0.4330 1.0330 1.0855 1.2281 1.2281 2.0022 2.0074 2.6355 2.6385 2.8727 2.8730 2.9710 2.9870 3.1662 3.1834 3.2768 3.2773 3.8620 3.8652 7.9968 8.2692 9.7914 9.8665 10.6478 10.6840 11.8894 11.9019 12.1842 12.1843 k = 0.5938 0.2171 0.1760 ( 4112 PWs) bands (ev): -15.6286 -15.6250 -15.0883 -15.0882 -14.8123 -14.8113 -14.1371 -14.1368 -13.7872 -13.7852 -13.6372 -13.6359 -5.9652 -5.9648 -4.4866 -4.4640 -3.0562 -3.0463 -2.6056 -2.6037 -1.5258 -1.5226 -1.3509 -1.2741 -0.5671 -0.5457 -0.3823 -0.3809 0.1416 0.2009 0.4306 0.4339 1.0577 1.1147 1.2529 1.2529 2.0299 2.0354 2.6154 2.6185 2.8794 2.8799 2.9661 2.9810 3.1739 3.1903 3.2675 3.2680 3.8434 3.8468 7.9988 8.2955 9.7934 9.8740 10.6393 10.6825 11.8621 11.8760 12.1627 12.1628 k = 0.6016 0.2060 0.1760 ( 4114 PWs) bands (ev): -15.6429 -15.6392 -15.0914 -15.0912 -14.7989 -14.7980 -14.1384 -14.1381 -13.7809 -13.7788 -13.6345 -13.6332 -5.9589 -5.9584 -4.4946 -4.4710 -3.0509 -3.0420 -2.6075 -2.6055 -1.5500 -1.5468 -1.3608 -1.2810 -0.5817 -0.5599 -0.3917 -0.3895 0.1571 0.2196 0.4312 0.4346 1.0832 1.1446 1.2781 1.2783 2.0586 2.0644 2.5947 2.5981 2.8867 2.8872 2.9615 2.9752 3.1810 3.1967 3.2576 3.2581 3.8239 3.8274 8.0011 8.3219 9.7960 9.8817 10.6302 10.6814 11.8342 11.8495 12.1407 12.1407 k = 0.6095 0.1948 0.1760 ( 4108 PWs) bands (ev): -15.6578 -15.6540 -15.0948 -15.0946 -14.7848 -14.7841 -14.1395 -14.1392 -13.7744 -13.7723 -13.6316 -13.6303 -5.9518 -5.9514 -4.5030 -4.4786 -3.0455 -3.0379 -2.6102 -2.6082 -1.5751 -1.5720 -1.3697 -1.2873 -0.5956 -0.5734 -0.4006 -0.3975 0.1728 0.2383 0.4316 0.4350 1.1092 1.1750 1.3038 1.3041 2.0882 2.0942 2.5737 2.5773 2.8945 2.8951 2.9572 2.9697 3.1874 3.2024 3.2471 3.2477 3.8035 3.8071 8.0038 8.3483 9.7992 9.8895 10.6205 10.6808 11.8060 11.8224 12.1184 12.1184 k = 0.6173 0.1837 0.1760 ( 4096 PWs) bands (ev): -15.6733 -15.6694 -15.0986 -15.0984 -14.7701 -14.7695 -14.1403 -14.1400 -13.7678 -13.7655 -13.6286 -13.6272 -5.9441 -5.9436 -4.5118 -4.4868 -3.0401 -3.0342 -2.6138 -2.6118 -1.6011 -1.5980 -1.3775 -1.2930 -0.6085 -0.5860 -0.4086 -0.4046 0.1887 0.2569 0.4317 0.4352 1.1355 1.2056 1.3296 1.3301 2.1181 2.1244 2.5525 2.5565 2.9027 2.9034 2.9531 2.9643 3.1931 3.2071 3.2363 3.2370 3.7823 3.7861 8.0066 8.3745 9.8030 9.8972 10.6105 10.6808 11.7778 11.7952 12.0960 12.0961 k = 0.6251 0.1725 0.1760 ( 4088 PWs) bands (ev): -15.6893 -15.6854 -15.1027 -15.1025 -14.7548 -14.7545 -14.1407 -14.1405 -13.7610 -13.7587 -13.6255 -13.6241 -5.9357 -5.9352 -4.5210 -4.4956 -3.0347 -3.0309 -2.6185 -2.6165 -1.6278 -1.6247 -1.3840 -1.2978 -0.6204 -0.5975 -0.4158 -0.4109 0.2044 0.2753 0.4316 0.4351 1.1617 1.2362 1.3555 1.3562 2.1480 2.1546 2.5315 2.5357 2.9114 2.9122 2.9493 2.9593 3.1974 3.2097 3.2257 3.2274 3.7606 3.7645 8.0094 8.4002 9.8071 9.9049 10.6001 10.6815 11.7501 11.7680 12.0738 12.0739 k = 0.6329 0.1614 0.1760 ( 4080 PWs) bands (ev): -15.7058 -15.7018 -15.1072 -15.1069 -14.7390 -14.7389 -14.1408 -14.1406 -13.7541 -13.7517 -13.6222 -13.6209 -5.9266 -5.9261 -4.5306 -4.5049 -3.0294 -3.0280 -2.6242 -2.6222 -1.6550 -1.6521 -1.3891 -1.3017 -0.6309 -0.6078 -0.4220 -0.4161 0.2199 0.2932 0.4313 0.4349 1.1877 1.2666 1.3814 1.3824 2.1775 2.1843 2.5109 2.5153 2.9204 2.9213 2.9458 2.9545 3.1983 3.2057 3.2175 3.2234 3.7385 3.7424 8.0120 8.4251 9.8115 9.9123 10.5896 10.6831 11.7231 11.7412 12.0519 12.0520 k = 0.6407 0.1503 0.1760 ( 4078 PWs) bands (ev): -15.7227 -15.7187 -15.1121 -15.1118 -14.7228 -14.7227 -14.1405 -14.1403 -13.7470 -13.7446 -13.6189 -13.6176 -5.9168 -5.9162 -4.5405 -4.5146 -3.0255 -3.0243 -2.6311 -2.6291 -1.6827 -1.6800 -1.3928 -1.3046 -0.6401 -0.6167 -0.4271 -0.4202 0.2351 0.3106 0.4310 0.4346 1.2131 1.2963 1.4073 1.4086 2.2061 2.2131 2.4908 2.4954 2.9294 2.9301 2.9434 2.9505 3.1919 3.1951 3.2155 3.2249 3.7160 3.7200 8.0143 8.4490 9.8159 9.9192 10.5793 10.6857 11.6971 11.7150 12.0305 12.0306 k = 0.6485 0.1391 0.1760 ( 4076 PWs) bands (ev): -15.7399 -15.7359 -15.1173 -15.1170 -14.7063 -14.7059 -14.1397 -14.1395 -13.7400 -13.7375 -13.6155 -13.6142 -5.9063 -5.9057 -4.5507 -4.5249 -3.0236 -3.0194 -2.6391 -2.6372 -1.7108 -1.7082 -1.3950 -1.3065 -0.6479 -0.6241 -0.4310 -0.4231 0.2496 0.3273 0.4307 0.4342 1.2377 1.3253 1.4329 1.4347 2.2334 2.2407 2.4716 2.4763 2.9346 2.9366 2.9458 2.9489 3.1808 3.1826 3.2175 3.2275 3.6935 3.6975 8.0162 8.4717 9.8201 9.9256 10.5693 10.6893 11.6723 11.6896 12.0098 12.0098 k = 0.6564 0.1280 0.1760 ( 4086 PWs) bands (ev): -15.7575 -15.7535 -15.1229 -15.1226 -14.6894 -14.6888 -14.1385 -14.1383 -13.7329 -13.7304 -13.6120 -13.6108 -5.8950 -5.8944 -4.5612 -4.5355 -3.0223 -3.0148 -2.6483 -2.6464 -1.7392 -1.7368 -1.3957 -1.3072 -0.6542 -0.6301 -0.4337 -0.4246 0.2635 0.3433 0.4304 0.4340 1.2612 1.3532 1.4583 1.4606 2.2590 2.2665 2.4534 2.4583 2.9331 2.9369 2.9546 2.9548 3.1682 3.1694 3.2201 3.2301 3.6709 3.6749 8.0175 8.4929 9.8238 9.9311 10.5600 10.6940 11.6490 11.6652 11.9899 11.9900 k = 0.3436-0.4897 0.3467 ( 4086 PWs) bands (ev): -15.7575 -15.7535 -15.1229 -15.1226 -14.6894 -14.6888 -14.1385 -14.1383 -13.7329 -13.7304 -13.6120 -13.6108 -5.8950 -5.8944 -4.5612 -4.5355 -3.0223 -3.0148 -2.6483 -2.6464 -1.7392 -1.7368 -1.3957 -1.3072 -0.6542 -0.6301 -0.4337 -0.4246 0.2635 0.3433 0.4304 0.4340 1.2612 1.3532 1.4583 1.4606 2.2590 2.2665 2.4534 2.4583 2.9331 2.9369 2.9546 2.9548 3.1682 3.1694 3.2201 3.2301 3.6709 3.6749 8.0175 8.4929 9.8238 9.9311 10.5600 10.6940 11.6490 11.6652 11.9899 11.9900 k = 0.3358-0.4786 0.3467 ( 4082 PWs) bands (ev): -15.7753 -15.7713 -15.1289 -15.1285 -14.6722 -14.6712 -14.1367 -14.1366 -13.7258 -13.7232 -13.6085 -13.6073 -5.8830 -5.8823 -4.5720 -4.5466 -3.0214 -3.0105 -2.6586 -2.6568 -1.7677 -1.7655 -1.3950 -1.3067 -0.6591 -0.6347 -0.4350 -0.4249 0.2765 0.3583 0.4305 0.4342 1.2834 1.3799 1.4832 1.4861 2.2824 2.2901 2.4366 2.4415 2.9305 2.9337 2.9644 2.9656 3.1553 3.1560 3.2227 3.2322 3.6485 3.6525 8.0181 8.5124 9.8268 9.9358 10.5517 10.6998 11.6274 11.6421 11.9710 11.9711 k = 0.3280-0.4675 0.3467 ( 4086 PWs) bands (ev): -15.7933 -15.7894 -15.1353 -15.1349 -14.6546 -14.6534 -14.1345 -14.1344 -13.7187 -13.7161 -13.6049 -13.6039 -5.8702 -5.8696 -4.5830 -4.5580 -3.0210 -3.0065 -2.6699 -2.6682 -1.7964 -1.7943 -1.3929 -1.3052 -0.6626 -0.6380 -0.4350 -0.4237 0.2886 0.3723 0.4310 0.4347 1.3043 1.4052 1.5076 1.5111 2.3029 2.3109 2.4217 2.4264 2.9279 2.9300 2.9751 2.9768 3.1424 3.1428 3.2249 3.2340 3.6264 3.6304 8.0179 8.5300 9.8287 9.9394 10.5447 10.7068 11.6076 11.6204 11.9532 11.9534 k = 0.3202-0.4564 0.3467 ( 4086 PWs) bands (ev): -15.8115 -15.8076 -15.1420 -15.1416 -14.6367 -14.6352 -14.1318 -14.1317 -13.7117 -13.7090 -13.6014 -13.6004 -5.8567 -5.8560 -4.5943 -4.5697 -3.0211 -3.0028 -2.6823 -2.6807 -1.8250 -1.8232 -1.3895 -1.3026 -0.6649 -0.6401 -0.4335 -0.4210 0.2996 0.3851 0.4322 0.4358 1.3235 1.4288 1.5314 1.5355 2.3200 2.3283 2.4092 2.4135 2.9253 2.9264 2.9858 2.9882 3.1299 3.1301 3.2266 3.2353 3.6046 3.6087 8.0169 8.5454 9.8291 9.9419 10.5394 10.7147 11.5897 11.6003 11.9367 11.9370 k = 0.3124-0.4452 0.3467 ( 4084 PWs) bands (ev): -15.8298 -15.8260 -15.1491 -15.1487 -14.6185 -14.6167 -14.1286 -14.1285 -13.7047 -13.7020 -13.5979 -13.5970 -5.8425 -5.8417 -4.6057 -4.5817 -3.0217 -2.9995 -2.6956 -2.6942 -1.8537 -1.8520 -1.3848 -1.2990 -0.6661 -0.6410 -0.4307 -0.4168 0.3095 0.3965 0.4345 0.4377 1.3411 1.4508 1.5544 1.5592 2.3324 2.3411 2.4000 2.4039 2.9229 2.9229 2.9960 2.9992 3.1180 3.1189 3.2279 3.2362 3.5835 3.5876 8.0148 8.5585 9.8279 9.9432 10.5360 10.7234 11.5739 11.5820 11.9216 11.9219 k = 0.3046-0.4341 0.3467 ( 4092 PWs) bands (ev): -15.8482 -15.8444 -15.1565 -15.1561 -14.6001 -14.5980 -14.1249 -14.1249 -13.6977 -13.6951 -13.5944 -13.5937 -5.8275 -5.8267 -4.6174 -4.5940 -3.0227 -2.9965 -2.7098 -2.7085 -1.8823 -1.8808 -1.3790 -1.2944 -0.6662 -0.6411 -0.4263 -0.4111 0.3183 0.4063 0.4380 0.4405 1.3568 1.4709 1.5763 1.5820 2.3389 2.3477 2.3956 2.3991 2.9196 2.9208 3.0048 3.0090 3.1079 3.1098 3.2287 3.2366 3.5630 3.5671 8.0118 8.5691 9.8249 9.9433 10.5346 10.7327 11.5603 11.5656 11.9079 11.9084 k = 0.2968-0.4230 0.3467 ( 4086 PWs) bands (ev): -15.8667 -15.8630 -15.1643 -15.1638 -14.5815 -14.5790 -14.1208 -14.1207 -13.6909 -13.6883 -13.5909 -13.5904 -5.8117 -5.8110 -4.6291 -4.6065 -3.0240 -2.9939 -2.7248 -2.7235 -1.9108 -1.9094 -1.3722 -1.2890 -0.6656 -0.6404 -0.4206 -0.4038 0.3259 0.4145 0.4429 0.4443 1.3706 1.4891 1.5971 1.6037 2.3395 2.3478 2.3958 2.3994 2.9166 2.9189 3.0109 3.0162 3.1010 3.1040 3.2290 3.2366 3.5433 3.5475 8.0077 8.5771 9.8200 9.9421 10.5352 10.7424 11.5487 11.5513 11.8958 11.8964 k = 0.2890-0.4118 0.3467 ( 4080 PWs) bands (ev): -15.8851 -15.8815 -15.1724 -15.1719 -14.5627 -14.5598 -14.1161 -14.1160 -13.6842 -13.6815 -13.5875 -13.5871 -5.7953 -5.7945 -4.6410 -4.6192 -3.0257 -2.9915 -2.7404 -2.7393 -1.9391 -1.9379 -1.3644 -1.2828 -0.6643 -0.6391 -0.4134 -0.3950 0.3324 0.4215 0.4490 0.4493 1.3826 1.5054 1.6165 1.6241 2.3363 2.3438 2.3986 2.4024 2.9139 2.9172 3.0127 3.0190 3.0992 3.1030 3.2288 3.2361 3.5245 3.5288 8.0025 8.5822 9.8132 9.9397 10.5379 10.7520 11.5391 11.5393 11.8854 11.8861 k = 0.2812-0.4007 0.3467 ( 4082 PWs) bands (ev): -15.9036 -15.9000 -15.1807 -15.1802 -14.5437 -14.5405 -14.1109 -14.1109 -13.6775 -13.6749 -13.5842 -13.5840 -5.7782 -5.7774 -4.6529 -4.6320 -3.0276 -2.9895 -2.7565 -2.7556 -1.9671 -1.9661 -1.3558 -1.2759 -0.6625 -0.6374 -0.4048 -0.3847 0.3379 0.4277 0.4554 0.4560 1.3926 1.5198 1.6342 1.6429 2.3318 2.3385 2.4016 2.4055 2.9114 2.9158 3.0097 3.0164 3.1031 3.1073 3.2282 3.2353 3.5067 3.5111 7.9961 8.5844 9.8047 9.9361 10.5422 10.7612 11.5292 11.5320 11.8767 11.8776 k = 0.2733-0.3896 0.3467 ( 4082 PWs) bands (ev): -15.9220 -15.9185 -15.1893 -15.1888 -14.5245 -14.5210 -14.1054 -14.1053 -13.6711 -13.6685 -13.5811 -13.5810 -5.7604 -5.7596 -4.6649 -4.6448 -3.0296 -2.9877 -2.7731 -2.7723 -1.9949 -1.9940 -1.3466 -1.2684 -0.6604 -0.6355 -0.3950 -0.3729 0.3424 0.4335 0.4626 0.4635 1.4008 1.5323 1.6500 1.6599 2.3273 2.3332 2.4036 2.4074 2.9093 2.9146 3.0029 3.0095 3.1118 3.1158 3.2272 3.2341 3.4900 3.4945 7.9886 8.5835 9.7947 9.9315 10.5480 10.7696 11.5216 11.5268 11.8699 11.8709 k = 0.2655-0.3784 0.3467 ( 4092 PWs) bands (ev): -15.9402 -15.9368 -15.1982 -15.1977 -14.5053 -14.5014 -14.0993 -14.0993 -13.6647 -13.6622 -13.5781 -13.5780 -5.7420 -5.7412 -4.6769 -4.6578 -3.0318 -2.9862 -2.7900 -2.7894 -2.0223 -2.0216 -1.3368 -1.2604 -0.6581 -0.6335 -0.3839 -0.3598 0.3462 0.4393 0.4711 0.4714 1.4072 1.5430 1.6635 1.6748 2.3234 2.3286 2.4044 2.4080 2.9075 2.9137 2.9936 2.9998 3.1232 3.1271 3.2257 3.2325 3.4745 3.4792 7.9799 8.5795 9.7835 9.9259 10.5548 10.7769 11.5163 11.5236 11.8648 11.8660 k = 0.2577-0.3673 0.3467 ( 4094 PWs) bands (ev): -15.9584 -15.9551 -15.2073 -15.2067 -14.4859 -14.4818 -14.0929 -14.0929 -13.6585 -13.6560 -13.5754 -13.5751 -5.7229 -5.7221 -4.6889 -4.6707 -3.0341 -2.9849 -2.8072 -2.8068 -2.0494 -2.0487 -1.3265 -1.2520 -0.6558 -0.6315 -0.3717 -0.3454 0.3493 0.4448 0.4799 0.4809 1.4119 1.5520 1.6744 1.6874 2.3202 2.3247 2.4041 2.4072 2.9060 2.9131 2.9828 2.9887 3.1362 3.1398 3.2239 3.2307 3.4603 3.4651 7.9701 8.5724 9.7716 9.9195 10.5622 10.7826 11.5132 11.5222 11.8616 11.8629 k = 0.2499-0.3562 0.3467 ( 4090 PWs) bands (ev): -15.9764 -15.9732 -15.2165 -15.2159 -14.4665 -14.4620 -14.0861 -14.0861 -13.6525 -13.6500 -13.5728 -13.5723 -5.7033 -5.7025 -4.7009 -4.6837 -3.0364 -2.9839 -2.8245 -2.8242 -2.0761 -2.0755 -1.3158 -1.2432 -0.6535 -0.6296 -0.3584 -0.3300 0.3518 0.4498 0.4893 0.4918 1.4149 1.5595 1.6825 1.6974 2.3178 2.3216 2.4029 2.4056 2.9048 2.9127 2.9712 2.9767 3.1497 3.1533 3.2217 3.2287 3.4475 3.4524 7.9591 8.5621 9.7591 9.9123 10.5698 10.7866 11.5121 11.5224 11.8602 11.8617 k = 0.2421-0.3450 0.3467 ( 4088 PWs) bands (ev): -15.9942 -15.9910 -15.2259 -15.2253 -14.4471 -14.4423 -14.0790 -14.0790 -13.6466 -13.6442 -13.5705 -13.5697 -5.6832 -5.6824 -4.7128 -4.6965 -3.0387 -2.9830 -2.8419 -2.8418 -2.1023 -2.1017 -1.3048 -1.2342 -0.6514 -0.6279 -0.3444 -0.3135 0.3539 0.4541 0.5001 0.5041 1.4164 1.5654 1.6873 1.7043 2.3161 2.3194 2.4014 2.4034 2.9038 2.9126 2.9592 2.9642 3.1632 3.1669 3.2193 3.2266 3.4360 3.4412 7.9472 8.5487 9.7464 9.9045 10.5771 10.7887 11.5128 11.5240 11.8606 11.8622 k = 0.2343-0.3339 0.3467 ( 4086 PWs) bands (ev): -16.0117 -16.0087 -15.2354 -15.2348 -14.4276 -14.4225 -14.0715 -14.0715 -13.6410 -13.6386 -13.5683 -13.5673 -5.6626 -5.6618 -4.7246 -4.7093 -3.0409 -2.9822 -2.8593 -2.8592 -2.1280 -2.1275 -1.2936 -1.2249 -0.6494 -0.6263 -0.3298 -0.2963 0.3557 0.4575 0.5124 0.5175 1.4165 1.5699 1.6887 1.7082 2.3150 2.3177 2.3999 2.4011 2.9030 2.9126 2.9470 2.9513 3.1759 3.1800 3.2168 3.2246 3.4260 3.4314 7.9342 8.5323 9.7338 9.8961 10.5839 10.7888 11.5149 11.5266 11.8628 11.8646 k = 0.2265-0.3228 0.3467 ( 4078 PWs) bands (ev): -16.0290 -16.0261 -15.2450 -15.2444 -14.4082 -14.4028 -14.0638 -14.0638 -13.6355 -13.6332 -13.5663 -13.5651 -5.6416 -5.6408 -4.7362 -4.7219 -3.0430 -2.9816 -2.8767 -2.8764 -2.1532 -2.1528 -1.2822 -1.2155 -0.6475 -0.6249 -0.3147 -0.2785 0.3573 0.4601 0.5262 0.5321 1.4151 1.5730 1.6866 1.7086 2.3144 2.3167 2.3989 2.3994 2.9019 2.9129 2.9350 2.9382 3.1873 3.1919 3.2148 3.2234 3.4176 3.4231 7.9202 8.5130 9.7216 9.8872 10.5898 10.7868 11.5180 11.5301 11.8667 11.8687 k = 0.2187-0.3117 0.3467 ( 4076 PWs) bands (ev): -16.0460 -16.0432 -15.2546 -15.2540 -14.3888 -14.3831 -14.0558 -14.0558 -13.6302 -13.6279 -13.5645 -13.5631 -5.6202 -5.6194 -4.7477 -4.7344 -3.0449 -2.9811 -2.8940 -2.8935 -2.1779 -2.1774 -1.2707 -1.2059 -0.6458 -0.6235 -0.2995 -0.2604 0.3589 0.4620 0.5413 0.5477 1.4123 1.5745 1.6809 1.7057 2.3141 2.3160 2.3985 2.3989 2.9000 2.9132 2.9240 2.9252 3.1958 3.2001 3.2156 3.2241 3.4107 3.4164 7.9054 8.4909 9.7098 9.8779 10.5947 10.7830 11.5218 11.5339 11.8721 11.8743 k = 0.2109-0.3005 0.3467 ( 4072 PWs) bands (ev): -16.0627 -16.0600 -15.2642 -15.2636 -14.3695 -14.3636 -14.0476 -14.0476 -13.6251 -13.6229 -13.5629 -13.5613 -5.5985 -5.5977 -4.7591 -4.7466 -3.0467 -2.9807 -2.9110 -2.9103 -2.2020 -2.2015 -1.2592 -1.1962 -0.6441 -0.6222 -0.2843 -0.2422 0.3606 0.4633 0.5577 0.5644 1.4080 1.5742 1.6720 1.6994 2.3141 2.3157 2.3988 2.4002 2.8952 2.9095 2.9159 2.9160 3.1998 3.2011 3.2224 3.2283 3.4055 3.4112 7.8899 8.4663 9.6985 9.8683 10.5984 10.7773 11.5257 11.5376 11.8791 11.8815 k = 0.2031-0.2894 0.3467 ( 4070 PWs) bands (ev): -16.0790 -16.0764 -15.2739 -15.2733 -14.3503 -14.3442 -14.0393 -14.0392 -13.6202 -13.6181 -13.5616 -13.5598 -5.5766 -5.5758 -4.7702 -4.7587 -3.0483 -2.9804 -2.9277 -2.9268 -2.2255 -2.2250 -1.2476 -1.1864 -0.6423 -0.6208 -0.2695 -0.2242 0.3628 0.4644 0.5751 0.5817 1.4023 1.5717 1.6605 1.6900 2.3140 2.3155 2.4006 2.4029 2.8859 2.8967 2.9125 2.9159 3.1985 3.1996 3.2317 3.2354 3.4019 3.4077 7.8736 8.4392 9.6880 9.8585 10.6009 10.7700 11.5293 11.5410 11.8875 11.8901 k = 0.1952-0.2783 0.3467 ( 4076 PWs) bands (ev): -16.0950 -16.0925 -15.2834 -15.2829 -14.3313 -14.3249 -14.0308 -14.0307 -13.6156 -13.6136 -13.5605 -13.5585 -5.5545 -5.5537 -4.7810 -4.7704 -3.0496 -2.9802 -2.9441 -2.9430 -2.2483 -2.2478 -1.2360 -1.1767 -0.6403 -0.6192 -0.2553 -0.2068 0.3656 0.4655 0.5931 0.5997 1.3950 1.5659 1.6478 1.6780 2.3140 2.3155 2.4040 2.4071 2.8740 2.8829 2.9119 2.9168 3.1948 3.1974 3.2406 3.2434 3.3999 3.4057 7.8569 8.4101 9.6781 9.8483 10.6022 10.7614 11.5322 11.5436 11.8971 11.8998 k = 0.1874-0.2671 0.3467 ( 4092 PWs) bands (ev): -16.1106 -16.1081 -15.2929 -15.2924 -14.3125 -14.3058 -14.0222 -14.0221 -13.6112 -13.6092 -13.5596 -13.5575 -5.5323 -5.5315 -4.7916 -4.7819 -3.0508 -2.9803 -2.9599 -2.9588 -2.2705 -2.2700 -1.2245 -1.1669 -0.6381 -0.6172 -0.2420 -0.1900 0.3691 0.4667 0.6117 0.6180 1.3858 1.5554 1.6355 1.6637 2.3139 2.3154 2.4089 2.4129 2.8610 2.8689 2.9125 2.9180 3.1908 3.1942 3.2486 3.2511 3.3996 3.4053 7.8396 8.3791 9.6689 9.8380 10.6024 10.7516 11.5342 11.5452 11.9077 11.9107 k = 0.1796-0.2560 0.3467 ( 4092 PWs) bands (ev): -16.1257 -16.1233 -15.3023 -15.3017 -14.2938 -14.2870 -14.0135 -14.0135 -13.6070 -13.6051 -13.5590 -13.5567 -5.5100 -5.5092 -4.8020 -4.7930 -3.0518 -2.9819 -2.9741 -2.9739 -2.2921 -2.2915 -1.2130 -1.1571 -0.6353 -0.6147 -0.2297 -0.1743 0.3736 0.4683 0.6303 0.6363 1.3747 1.5391 1.6253 1.6481 2.3136 2.3152 2.4153 2.4200 2.8477 2.8549 2.9137 2.9193 3.1865 3.1906 3.2555 3.2580 3.4008 3.4063 7.8221 8.3465 9.6605 9.8275 10.6015 10.7409 11.5349 11.5454 11.9194 11.9225 k = 0.1718-0.2449 0.3467 ( 4090 PWs) bands (ev): -16.1403 -16.1381 -15.3116 -15.3110 -14.2754 -14.2684 -14.0048 -14.0048 -13.6030 -13.6013 -13.5587 -13.5561 -5.4878 -5.4870 -4.8120 -4.8038 -3.0528 -2.9928 -2.9887 -2.9782 -2.3129 -2.3123 -1.2015 -1.1473 -0.6320 -0.6116 -0.2188 -0.1599 0.3791 0.4705 0.6488 0.6544 1.3614 1.5171 1.6175 1.6317 2.3132 2.3150 2.4229 2.4283 2.8344 2.8410 2.9153 2.9208 3.1821 3.1866 3.2612 3.2639 3.4035 3.4087 7.8044 8.3125 9.6526 9.8170 10.5996 10.7294 11.5343 11.5443 11.9319 11.9351 k = 0.1640-0.2337 0.3467 ( 4088 PWs) bands (ev): -16.1545 -16.1524 -15.3206 -15.3200 -14.2573 -14.2502 -13.9962 -13.9961 -13.5992 -13.5976 -13.5585 -13.5559 -5.4657 -5.4649 -4.8216 -4.8142 -3.0538 -3.0073 -3.0026 -2.9787 -2.3330 -2.3324 -1.1901 -1.1376 -0.6280 -0.6078 -0.2093 -0.1471 0.3859 0.4734 0.6668 0.6718 1.3458 1.4906 1.6117 1.6153 2.3128 2.3148 2.4316 2.4375 2.8211 2.8272 2.9172 2.9224 3.1775 3.1824 3.2659 3.2690 3.4074 3.4123 7.7866 8.2774 9.6454 9.8063 10.5970 10.7175 11.5322 11.5416 11.9450 11.9483 k = 0.1562-0.2226 0.3467 ( 4088 PWs) bands (ev): -16.1682 -16.1662 -15.3295 -15.3289 -14.2395 -14.2323 -13.9876 -13.9875 -13.5957 -13.5942 -13.5586 -13.5558 -5.4437 -5.4430 -4.8310 -4.8243 -3.0552 -3.0217 -3.0154 -2.9788 -2.3524 -2.3517 -1.1788 -1.1279 -0.6230 -0.6030 -0.2013 -0.1359 0.3938 0.4772 0.6837 0.6882 1.3280 1.4609 1.5997 1.6071 2.3122 2.3144 2.4409 2.4472 2.8080 2.8137 2.9194 2.9241 3.1729 3.1781 3.2698 3.2732 3.4123 3.4168 7.7690 8.2415 9.6388 9.7955 10.5936 10.7052 11.5286 11.5374 11.9586 11.9620 k = 0.1484-0.2115 0.3467 ( 4086 PWs) bands (ev): -16.1814 -16.1794 -15.3381 -15.3375 -14.2221 -14.2148 -13.9791 -13.9790 -13.5924 -13.5911 -13.5589 -13.5561 -5.4221 -5.4214 -4.8399 -4.8339 -3.0579 -3.0357 -3.0262 -2.9789 -2.3710 -2.3702 -1.1677 -1.1184 -0.6171 -0.5972 -0.1949 -0.1266 0.4029 0.4819 0.6992 0.7032 1.3081 1.4294 1.5853 1.6030 2.3116 2.3140 2.4507 2.4572 2.7954 2.8006 2.9218 2.9259 3.1683 3.1737 3.2728 3.2767 3.4181 3.4222 7.7515 8.2050 9.6327 9.7847 10.5897 10.6928 11.5237 11.5317 11.9726 11.9760 k = 0.1406-0.2003 0.3467 ( 4086 PWs) bands (ev): -16.1940 -16.1921 -15.3464 -15.3459 -14.2051 -14.1978 -13.9707 -13.9706 -13.5893 -13.5882 -13.5594 -13.5565 -5.4008 -5.4002 -4.8485 -4.8431 -3.0629 -3.0492 -3.0338 -2.9791 -2.3888 -2.3880 -1.1566 -1.1090 -0.6100 -0.5903 -0.1899 -0.1193 0.4131 0.4874 0.7127 0.7162 1.2867 1.3971 1.5724 1.5991 2.3110 2.3135 2.4606 2.4673 2.7833 2.7880 2.9244 2.9279 3.1636 3.1693 3.2753 3.2796 3.4244 3.4282 7.7345 8.1681 9.6271 9.7739 10.5854 10.6803 11.5174 11.5247 11.9868 11.9903 k = 0.1328-0.1892 0.3467 ( 4084 PWs) bands (ev): -16.2060 -16.2043 -15.3544 -15.3539 -14.1886 -14.1812 -13.9625 -13.9624 -13.5864 -13.5855 -13.5601 -13.5572 -5.3800 -5.3794 -4.8567 -4.8519 -3.0709 -3.0623 -3.0378 -2.9793 -2.4059 -2.4050 -1.1457 -1.0997 -0.6018 -0.5822 -0.1863 -0.1138 0.4242 0.4938 0.7235 0.7266 1.2646 1.3651 1.5613 1.5953 2.3104 2.3130 2.4704 2.4770 2.7719 2.7761 2.9271 2.9299 3.1590 3.1648 3.2773 3.2820 3.4312 3.4346 7.7180 8.1311 9.6220 9.7631 10.5808 10.6680 11.5100 11.5165 12.0012 12.0047 k = 0.1250-0.1781 0.3467 ( 4078 PWs) bands (ev): -16.2175 -16.2158 -15.3622 -15.3617 -14.1725 -14.1652 -13.9545 -13.9544 -13.5838 -13.5832 -13.5610 -13.5582 -5.3597 -5.3591 -4.8645 -4.8602 -3.0808 -3.0749 -3.0390 -2.9796 -2.4221 -2.4212 -1.1349 -1.0906 -0.5924 -0.5728 -0.1839 -0.1103 0.4360 0.5008 0.7310 0.7338 1.2427 1.3344 1.5519 1.5914 2.3098 2.3125 2.4797 2.4863 2.7613 2.7651 2.9300 2.9320 3.1543 3.1604 3.2790 3.2839 3.4383 3.4413 7.7022 8.0941 9.6174 9.7524 10.5760 10.6559 11.5017 11.5073 12.0157 12.0191 k = 0.1171-0.1670 0.3467 ( 4074 PWs) bands (ev): -16.2283 -16.2268 -15.3695 -15.3691 -14.1570 -14.1498 -13.9468 -13.9467 -13.5814 -13.5811 -13.5620 -13.5593 -5.3401 -5.3395 -4.8718 -4.8681 -3.0914 -3.0870 -3.0389 -2.9800 -2.4375 -2.4366 -1.1244 -1.0818 -0.5816 -0.5622 -0.1826 -0.1085 0.4482 0.5084 0.7345 0.7373 1.2222 1.3058 1.5441 1.5874 2.3093 2.3120 2.4884 2.4947 2.7518 2.7550 2.9330 2.9342 3.1498 3.1559 3.2804 3.2856 3.4454 3.4481 7.6873 8.0575 9.6133 9.7417 10.5711 10.6442 11.4925 11.4973 12.0300 12.0334 k = 0.1093-0.1558 0.3467 ( 4072 PWs) bands (ev): -16.2385 -16.2371 -15.3765 -15.3761 -14.1420 -14.1349 -13.9394 -13.9392 -13.5793 -13.5792 -13.5630 -13.5606 -5.3211 -5.3206 -4.8787 -4.8754 -3.1020 -3.0985 -3.0379 -2.9805 -2.4520 -2.4511 -1.1140 -1.0734 -0.5696 -0.5503 -0.1821 -0.1083 0.4607 0.5164 0.7333 0.7364 1.2041 1.2802 1.5377 1.5834 2.3088 2.3115 2.4962 2.5020 2.7435 2.7461 2.9361 2.9366 3.1453 3.1515 3.2816 3.2869 3.4526 3.4550 7.6734 8.0213 9.6096 9.7311 10.5662 10.6328 11.4829 11.4869 12.0442 12.0475 k = 0.1015-0.1447 0.3467 ( 4074 PWs) bands (ev): -16.2481 -16.2468 -15.3832 -15.3828 -14.1277 -14.1208 -13.9322 -13.9321 -13.5778 -13.5773 -13.5641 -13.5620 -5.3030 -5.3025 -4.8852 -4.8823 -3.1123 -3.1095 -3.0364 -2.9812 -2.4656 -2.4647 -1.1040 -1.0652 -0.5563 -0.5372 -0.1822 -0.1096 0.4732 0.5243 0.7271 0.7309 1.1893 1.2584 1.5326 1.5793 2.3083 2.3109 2.5028 2.5082 2.7365 2.7384 2.9390 2.9393 3.1409 3.1471 3.2826 3.2881 3.4597 3.4618 7.6605 7.9857 9.6064 9.7207 10.5615 10.6219 11.4729 11.4762 12.0582 12.0613 k = 0.0937-0.1336 0.3467 ( 4074 PWs) bands (ev): -16.2571 -16.2559 -15.3894 -15.3890 -14.1141 -14.1074 -13.9255 -13.9254 -13.5767 -13.5756 -13.5650 -13.5635 -5.2858 -5.2853 -4.8912 -4.8887 -3.1222 -3.1198 -3.0345 -2.9819 -2.4784 -2.4774 -1.0942 -1.0575 -0.5419 -0.5230 -0.1827 -0.1122 0.4853 0.5322 0.7158 0.7206 1.1783 1.2406 1.5287 1.5752 2.3078 2.3104 2.5083 2.5130 2.7308 2.7321 2.9415 2.9425 3.1366 3.1428 3.2836 3.2890 3.4666 3.4685 7.6490 7.9510 9.6036 9.7104 10.5570 10.6115 11.4627 11.4653 12.0717 12.0747 k = 0.0859-0.1224 0.3467 ( 4080 PWs) bands (ev): -16.2653 -16.2642 -15.3952 -15.3948 -14.1013 -14.0948 -13.9191 -13.9190 -13.5762 -13.5742 -13.5657 -13.5650 -5.2696 -5.2691 -4.8968 -4.8947 -3.1316 -3.1296 -3.0324 -2.9829 -2.4902 -2.4892 -1.0848 -1.0503 -0.5264 -0.5079 -0.1835 -0.1158 0.4968 0.5395 0.6999 0.7059 1.1711 1.2269 1.5258 1.5710 2.3074 2.3098 2.5123 2.5164 2.7266 2.7273 2.9441 2.9457 3.1325 3.1386 3.2844 3.2897 3.4733 3.4750 7.6389 7.9173 9.6014 9.7004 10.5527 10.6017 11.4527 11.4547 12.0848 12.0877 k = 0.0781-0.1113 0.3467 ( 4080 PWs) bands (ev): -16.2729 -16.2719 -15.4005 -15.4002 -14.0892 -14.0831 -13.9132 -13.9131 -13.5761 -13.5731 -13.5664 -13.5660 -5.2544 -5.2540 -4.9019 -4.9001 -3.1404 -3.1386 -3.0301 -2.9839 -2.5010 -2.5001 -1.0757 -1.0436 -0.5101 -0.4919 -0.1842 -0.1202 0.5073 0.5459 0.6805 0.6875 1.1676 1.2171 1.5238 1.5669 2.3071 2.3093 2.5150 2.5185 2.7238 2.7238 2.9467 2.9489 3.1286 3.1346 3.2852 3.2903 3.4796 3.4811 7.6304 7.8848 9.5997 9.6906 10.5488 10.5925 11.4429 11.4444 12.0974 12.1000 k = 0.0703-0.1002 0.3467 ( 4078 PWs) bands (ev): -16.2798 -16.2789 -15.4054 -15.4051 -14.0780 -14.0723 -13.9077 -13.9076 -13.5766 -13.5728 -13.5674 -13.5661 -5.2404 -5.2400 -4.9065 -4.9050 -3.1485 -3.1470 -3.0275 -2.9851 -2.5109 -2.5101 -1.0672 -1.0375 -0.4931 -0.4755 -0.1849 -0.1253 0.5166 0.5510 0.6588 0.6666 1.1670 1.2105 1.5226 1.5630 2.3068 2.3088 2.5165 2.5193 2.7217 2.7222 2.9493 2.9520 3.1249 3.1307 3.2858 3.2908 3.4856 3.4869 7.6235 7.8536 9.5985 9.6811 10.5452 10.5840 11.4335 11.4346 12.1093 12.1117 k = 0.0625-0.0890 0.3467 ( 4074 PWs) bands (ev): -16.2860 -16.2852 -15.4098 -15.4095 -14.0677 -14.0625 -13.9027 -13.9026 -13.5774 -13.5733 -13.5676 -13.5659 -5.2276 -5.2273 -4.9107 -4.9094 -3.1559 -3.1546 -3.0249 -2.9865 -2.5198 -2.5190 -1.0591 -1.0321 -0.4758 -0.4589 -0.1852 -0.1309 0.5238 0.5537 0.6371 0.6448 1.1686 1.2066 1.5221 1.5591 2.3065 2.3084 2.5169 2.5191 2.7207 2.7216 2.9519 2.9549 3.1215 3.1270 3.2865 3.2911 3.4912 3.4923 7.6184 7.8239 9.5979 9.6719 10.5421 10.5761 11.4247 11.4254 12.1204 12.1226 k = 0.0547-0.0779 0.3467 ( 4072 PWs) bands (ev): -16.2915 -16.2908 -15.4137 -15.4135 -14.0584 -14.0537 -13.8982 -13.8981 -13.5784 -13.5745 -13.5672 -13.5656 -5.2161 -5.2158 -4.9143 -4.9133 -3.1625 -3.1614 -3.0222 -2.9880 -2.5277 -2.5270 -1.0515 -1.0274 -0.4585 -0.4425 -0.1852 -0.1366 0.5280 0.5521 0.6182 0.6243 1.1719 1.2046 1.5222 1.5553 2.3063 2.3079 2.5165 2.5182 2.7206 2.7217 2.9545 2.9576 3.1184 3.1235 3.2871 3.2913 3.4963 3.4972 7.6153 7.7958 9.5979 9.6631 10.5395 10.5688 11.4166 11.4171 12.1306 12.1326 k = 0.0469-0.0668 0.3467 ( 4070 PWs) bands (ev): -16.2963 -16.2957 -15.4171 -15.4169 -14.0502 -14.0460 -13.8943 -13.8942 -13.5794 -13.5759 -13.5667 -13.5652 -5.2060 -5.2057 -4.9175 -4.9166 -3.1684 -3.1674 -3.0194 -2.9897 -2.5345 -2.5339 -1.0446 -1.0235 -0.4417 -0.4269 -0.1848 -0.1425 0.5275 0.5440 0.6056 0.6077 1.1761 1.2037 1.5228 1.5517 2.3061 2.3075 2.5155 2.5167 2.7212 2.7224 2.9569 2.9600 3.1157 3.1203 3.2876 3.2914 3.5008 3.5016 7.6141 7.7693 9.5985 9.6548 10.5375 10.5623 11.4094 11.4096 12.1398 12.1415 k = 0.0390-0.0557 0.3467 ( 4060 PWs) bands (ev): -16.3003 -16.2998 -15.4200 -15.4198 -14.0430 -14.0394 -13.8909 -13.8908 -13.5803 -13.5774 -13.5661 -13.5649 -5.1973 -5.1971 -4.9202 -4.9195 -3.1734 -3.1726 -3.0166 -2.9915 -2.5404 -2.5398 -1.0383 -1.0205 -0.4257 -0.4124 -0.1839 -0.1483 0.5209 0.5297 0.5976 0.6000 1.1808 1.2036 1.5239 1.5483 2.3060 2.3072 2.5142 2.5150 2.7221 2.7234 2.9592 2.9621 3.1133 3.1174 3.2882 3.2914 3.5047 3.5054 7.6150 7.7447 9.5997 9.6469 10.5360 10.5565 11.4031 11.4032 12.1479 12.1493 k = 0.0312-0.0445 0.3467 ( 4066 PWs) bands (ev): -16.3036 -16.3032 -15.4224 -15.4223 -14.0370 -14.0341 -13.8881 -13.8880 -13.5811 -13.5787 -13.5656 -13.5646 -5.1901 -5.1900 -4.9224 -4.9219 -3.1775 -3.1769 -3.0138 -2.9935 -2.5451 -2.5447 -1.0327 -1.0183 -0.4113 -0.3999 -0.1824 -0.1538 0.5096 0.5133 0.5936 0.5983 1.1856 1.2036 1.5253 1.5450 2.3059 2.3068 2.5127 2.5133 2.7233 2.7244 2.9612 2.9638 3.1115 3.1148 3.2886 3.2913 3.5080 3.5085 7.6180 7.7221 9.6016 9.6395 10.5351 10.5513 11.3978 11.3978 12.1547 12.1558 k = 0.0234-0.0334 0.3467 ( 4068 PWs) bands (ev): -16.3062 -16.3059 -15.4243 -15.4242 -14.0322 -14.0300 -13.8859 -13.8859 -13.5817 -13.5799 -13.5652 -13.5645 -5.1845 -5.1844 -4.9241 -4.9237 -3.1808 -3.1803 -3.0110 -2.9957 -2.5488 -2.5485 -1.0279 -1.0169 -0.3988 -0.3898 -0.1805 -0.1590 0.4971 0.4982 0.5931 0.5980 1.1901 1.2035 1.5270 1.5419 2.3058 2.3065 2.5114 2.5118 2.7244 2.7253 2.9630 2.9650 3.1101 3.1127 3.2891 3.2911 3.5106 3.5110 7.6233 7.7015 9.6041 9.6326 10.5348 10.5469 11.3936 11.3936 12.1601 12.1610 k = 0.0156-0.0223 0.3467 ( 4062 PWs) bands (ev): -16.3080 -16.3078 -15.4256 -15.4255 -14.0286 -14.0271 -13.8843 -13.8843 -13.5821 -13.5809 -13.5648 -13.5644 -5.1804 -5.1804 -4.9253 -4.9250 -3.1831 -3.1828 -3.0082 -2.9980 -2.5515 -2.5512 -1.0239 -1.0165 -0.3890 -0.3826 -0.1781 -0.1638 0.4863 0.4864 0.5942 0.5979 1.1940 1.2030 1.5290 1.5390 2.3058 2.3063 2.5104 2.5106 2.7253 2.7260 2.9644 2.9658 3.1092 3.1110 3.2895 3.2909 3.5125 3.5128 7.6307 7.6829 9.6072 9.6263 10.5351 10.5432 11.3905 11.3906 12.1641 12.1647 k = 0.0078-0.0111 0.3467 ( 4060 PWs) bands (ev): -16.3091 -16.3090 -15.4264 -15.4263 -14.0263 -14.0255 -13.8834 -13.8834 -13.5822 -13.5816 -13.5646 -13.5643 -5.1780 -5.1780 -4.9260 -4.9258 -3.1844 -3.1843 -3.0055 -3.0004 -2.5530 -2.5529 -1.0207 -1.0170 -0.3821 -0.3788 -0.1752 -0.1680 0.4790 0.4792 0.5955 0.5975 1.1974 1.2019 1.5312 1.5362 2.3059 2.3061 2.5097 2.5099 2.7260 2.7264 2.9654 2.9662 3.1088 3.1097 3.2899 3.2906 3.5137 3.5138 7.6404 7.6665 9.6110 9.6206 10.5361 10.5401 11.3887 11.3888 12.1667 12.1670 k = 0.0000 0.0000 0.3467 ( 4062 PWs) bands (ev): -16.3094 -16.3094 -15.4266 -15.4266 -14.0252 -14.0252 -13.8831 -13.8831 -13.5820 -13.5820 -13.5644 -13.5644 -5.1772 -5.1772 -4.9262 -4.9262 -3.1848 -3.1848 -3.0029 -3.0029 -2.5535 -2.5535 -1.0184 -1.0184 -0.3787 -0.3787 -0.1718 -0.1718 0.4766 0.4766 0.5967 0.5967 1.2000 1.2000 1.5336 1.5336 2.3060 2.3060 2.5095 2.5095 2.7264 2.7264 2.9660 2.9660 3.1090 3.1090 3.2903 3.2903 3.5141 3.5141 7.6524 7.6524 9.6155 9.6155 10.5378 10.5378 11.3881 11.3881 12.1676 12.1676 k = 0.0000 0.0000 0.3467 ( 4062 PWs) bands (ev): -16.3094 -16.3094 -15.4266 -15.4266 -14.0252 -14.0252 -13.8831 -13.8831 -13.5820 -13.5820 -13.5644 -13.5644 -5.1772 -5.1772 -4.9262 -4.9262 -3.1848 -3.1848 -3.0029 -3.0029 -2.5535 -2.5535 -1.0184 -1.0184 -0.3787 -0.3787 -0.1718 -0.1718 0.4766 0.4766 0.5967 0.5967 1.2000 1.2000 1.5336 1.5336 2.3060 2.3060 2.5095 2.5095 2.7264 2.7264 2.9660 2.9660 3.1090 3.1090 3.2903 3.2903 3.5141 3.5141 7.6524 7.6524 9.6155 9.6155 10.5378 10.5378 11.3881 11.3881 12.1676 12.1676 k = 0.0112 0.0079 0.3467 ( 4063 PWs) bands (ev): -16.3088 -16.3088 -15.4266 -15.4259 -14.0260 -14.0257 -13.8834 -13.8831 -13.5901 -13.5836 -13.5630 -13.5572 -5.1797 -5.1777 -4.9256 -4.9255 -3.1860 -3.1829 -3.0018 -2.9992 -2.5564 -2.5517 -1.0225 -1.0175 -0.3912 -0.3700 -0.1802 -0.1614 0.4648 0.4882 0.5857 0.6109 1.1979 1.2041 1.5336 1.5377 2.3047 2.3055 2.5088 2.5092 2.7230 2.7244 2.9652 2.9665 3.1062 3.1106 3.2878 3.2950 3.5138 3.5141 7.6416 7.6657 9.6014 9.6302 10.5323 10.5432 11.3882 11.3899 12.1640 12.1724 k = 0.0224 0.0157 0.3467 ( 4072 PWs) bands (ev): -16.3071 -16.3070 -15.4257 -15.4244 -14.0280 -14.0274 -13.8842 -13.8835 -13.6007 -13.5928 -13.5552 -13.5486 -5.1853 -5.1812 -4.9237 -4.9236 -3.1863 -3.1803 -2.9959 -2.9909 -2.5602 -2.5509 -1.0298 -1.0199 -0.4069 -0.3661 -0.1857 -0.1496 0.4536 0.4977 0.5794 0.6272 1.1980 1.2101 1.5377 1.5458 2.3016 2.3032 2.5070 2.5078 2.7145 2.7172 2.9641 2.9666 3.1023 3.1108 3.2875 3.3016 3.5131 3.5137 7.6334 7.6814 9.5879 9.6454 10.5266 10.5487 11.3902 11.3935 12.1615 12.1784 k = 0.0336 0.0236 0.3467 ( 4070 PWs) bands (ev): -16.3042 -16.3041 -15.4241 -15.4222 -14.0311 -14.0303 -13.8854 -13.8844 -13.6121 -13.6037 -13.5467 -13.5402 -5.1937 -5.1878 -4.9205 -4.9204 -3.1854 -3.1768 -2.9855 -2.9786 -2.5649 -2.5511 -1.0400 -1.0255 -0.4249 -0.3674 -0.1876 -0.1371 0.4433 0.5028 0.5803 0.6451 1.2004 1.2179 1.5459 1.5576 2.2967 2.2990 2.5038 2.5051 2.7014 2.7053 2.9627 2.9662 3.0976 3.1096 3.2894 3.3099 3.5122 3.5130 7.6278 7.6995 9.5750 9.6612 10.5208 10.5544 11.3941 11.3990 12.1602 12.1855 k = 0.0449 0.0315 0.3467 ( 4074 PWs) bands (ev): -16.3002 -16.3000 -15.4218 -15.4192 -14.0354 -14.0344 -13.8872 -13.8860 -13.6238 -13.6151 -13.5386 -13.5324 -5.2050 -5.1972 -4.9161 -4.9159 -3.1828 -3.1723 -2.9710 -2.9627 -2.5703 -2.5522 -1.0531 -1.0342 -0.4447 -0.3738 -0.1856 -0.1240 0.4339 0.5020 0.5892 0.6642 1.2050 1.2276 1.5579 1.5731 2.2900 2.2931 2.4989 2.5009 2.6845 2.6893 2.9608 2.9653 3.0922 3.1070 3.2934 3.3197 3.5109 3.5120 7.6247 7.7198 9.5627 9.6774 10.5146 10.5603 11.3999 11.4064 12.1599 12.1937 k = 0.0561 0.0393 0.3467 ( 4070 PWs) bands (ev): -16.2950 -16.2948 -15.4186 -15.4154 -14.0407 -14.0396 -13.8898 -13.8884 -13.6356 -13.6266 -13.5311 -13.5253 -5.2190 -5.2095 -4.9106 -4.9103 -3.1785 -3.1662 -2.9529 -2.9439 -2.5763 -2.5540 -1.0687 -1.0460 -0.4656 -0.3846 -0.1803 -0.1106 0.4252 0.4970 0.6042 0.6842 1.2120 1.2389 1.5735 1.5917 2.2814 2.2851 2.4918 2.4946 2.6648 2.6703 2.9586 2.9639 3.0861 3.1031 3.2991 3.3306 3.5095 3.5107 7.6241 7.7423 9.5510 9.6941 10.5081 10.5665 11.4076 11.4156 12.1607 12.2028 k = 0.0673 0.0472 0.3467 ( 4064 PWs) bands (ev): -16.2887 -16.2884 -15.4148 -15.4109 -14.0471 -14.0459 -13.8932 -13.8918 -13.6472 -13.6381 -13.5243 -13.5189 -5.2355 -5.2244 -4.9039 -4.9034 -3.1720 -3.1585 -2.9319 -2.9228 -2.5825 -2.5564 -1.0866 -1.0606 -0.4873 -0.3986 -0.1723 -0.0971 0.4170 0.4896 0.6228 0.7046 1.2213 1.2519 1.5923 1.6132 2.2707 2.2749 2.4821 2.4859 2.6435 2.6495 2.9559 2.9621 3.0795 3.0980 3.3062 3.3426 3.5078 3.5091 7.6259 7.7666 9.5400 9.7111 10.5011 10.5731 11.4173 11.4268 12.1624 12.2129 k = 0.0785 0.0551 0.3467 ( 4064 PWs) bands (ev): -16.2812 -16.2809 -15.4102 -15.4057 -14.0545 -14.0532 -13.8977 -13.8964 -13.6585 -13.6494 -13.5183 -13.5132 -5.2545 -5.2419 -4.8961 -4.8953 -3.1634 -3.1489 -2.9088 -2.8999 -2.5888 -2.5588 -1.1065 -1.0777 -0.5091 -0.4148 -0.1623 -0.0836 0.4092 0.4810 0.6434 0.7253 1.2328 1.2667 1.6138 1.6372 2.2573 2.2619 2.4696 2.4745 2.6216 2.6279 2.9529 2.9599 3.0725 3.0922 3.3144 3.3553 3.5061 3.5074 7.6300 7.7926 9.5297 9.7284 10.4935 10.5800 11.4289 11.4398 12.1649 12.2236 k = 0.0897 0.0629 0.3467 ( 4066 PWs) bands (ev): -16.2726 -16.2722 -15.4049 -15.3998 -14.0628 -14.0616 -13.9035 -13.9025 -13.6691 -13.6601 -13.5130 -13.5083 -5.2756 -5.2617 -4.8871 -4.8861 -3.1525 -3.1373 -2.8842 -2.8760 -2.5946 -2.5610 -1.1282 -1.0970 -0.5308 -0.4322 -0.1511 -0.0701 0.4014 0.4717 0.6649 0.7460 1.2465 1.2832 1.6375 1.6629 2.2408 2.2456 2.4545 2.4607 2.6001 2.6066 2.9496 2.9576 3.0653 3.0858 3.3233 3.3685 3.5042 3.5057 7.6362 7.8201 9.5200 9.7459 10.4854 10.5874 11.4425 11.4547 12.1681 12.2350 k = 0.1009 0.0708 0.3467 ( 4068 PWs) bands (ev): -16.2629 -16.2624 -15.3988 -15.3931 -14.0722 -14.0710 -13.9107 -13.9101 -13.6789 -13.6701 -13.5085 -13.5042 -5.2988 -5.2837 -4.8771 -4.8757 -3.1395 -3.1237 -2.8593 -2.8517 -2.5994 -2.5622 -1.1511 -1.1180 -0.5519 -0.4500 -0.1389 -0.0569 0.3934 0.4620 0.6868 0.7663 1.2622 1.3014 1.6627 1.6899 2.2201 2.2249 2.4377 2.4454 2.5796 2.5863 2.9458 2.9548 3.0581 3.0793 3.3326 3.3822 3.5024 3.5042 7.6444 7.8488 9.5111 9.7634 10.4768 10.5951 11.4581 11.4715 12.1719 12.2468 k = 0.1121 0.0787 0.3467 ( 4059 PWs) bands (ev): -16.2520 -16.2515 -15.3921 -15.3858 -14.0825 -14.0814 -13.9194 -13.9192 -13.6878 -13.6792 -13.5048 -13.5007 -5.3238 -5.3077 -4.8660 -4.8642 -3.1245 -3.1082 -2.8354 -2.8275 -2.6023 -2.5616 -1.1750 -1.1404 -0.5722 -0.4677 -0.1264 -0.0441 0.3851 0.4520 0.7086 0.7862 1.2797 1.3214 1.6886 1.7173 2.1940 2.1991 2.4203 2.4306 2.5604 2.5671 2.9415 2.9514 3.0515 3.0733 3.3421 3.3959 3.5006 3.5031 7.6545 7.8785 9.5031 9.7808 10.4677 10.6034 11.4756 11.4902 12.1761 12.2588 k = 0.1233 0.0865 0.3467 ( 4063 PWs) bands (ev): -16.2400 -16.2395 -15.3847 -15.3779 -14.0940 -14.0930 -13.9300 -13.9295 -13.6956 -13.6874 -13.5017 -13.4981 -5.3505 -5.3335 -4.8537 -4.8516 -3.1076 -3.0909 -2.8143 -2.8042 -2.6023 -2.5579 -1.1995 -1.1636 -0.5913 -0.4847 -0.1137 -0.0318 0.3763 0.4416 0.7300 0.8054 1.2988 1.3431 1.7144 1.7443 2.1618 2.1677 2.4037 2.4180 2.5420 2.5487 2.9364 2.9468 3.0462 3.0684 3.3514 3.4095 3.4992 3.5028 7.6661 7.9089 9.4959 9.7981 10.4581 10.6120 11.4950 11.5108 12.1807 12.2709 k = 0.1346 0.0944 0.3467 ( 4060 PWs) bands (ev): -16.2270 -16.2264 -15.3767 -15.3693 -14.1066 -14.1058 -13.9421 -13.9410 -13.7024 -13.6946 -13.4994 -13.4961 -5.3788 -5.3610 -4.8404 -4.8379 -3.0891 -3.0721 -2.7971 -2.7835 -2.5979 -2.5501 -1.2240 -1.1872 -0.6091 -0.5008 -0.1012 -0.0204 0.3670 0.4311 0.7506 0.8237 1.3191 1.3664 1.7391 1.7697 2.1236 2.1308 2.3892 2.4089 2.5245 2.5312 2.9304 2.9406 3.0427 3.0652 3.3602 3.4223 3.4985 3.5035 7.6792 7.9397 9.4897 9.8149 10.4482 10.6210 11.5163 11.5332 12.1854 12.2829 k = 0.1458 0.1023 0.3467 ( 4069 PWs) bands (ev): -16.2128 -16.2122 -15.3681 -15.3601 -14.1205 -14.1199 -13.9553 -13.9536 -13.7082 -13.7008 -13.4978 -13.4948 -5.4084 -5.3899 -4.8261 -4.8232 -3.0694 -3.0520 -2.7844 -2.7672 -2.5875 -2.5372 -1.2482 -1.2105 -0.6255 -0.5156 -0.0892 -0.0099 0.3570 0.4203 0.7703 0.8410 1.3403 1.3912 1.7614 1.7922 2.0805 2.0891 2.3769 2.4035 2.5077 2.5144 2.9232 2.9325 3.0417 3.0640 3.3681 3.4336 3.4992 3.5058 7.6935 7.9706 9.4845 9.8313 10.4381 10.6303 11.5393 11.5573 12.1902 12.2946 k = 0.1570 0.1101 0.3467 ( 4065 PWs) bands (ev): -16.1976 -16.1969 -15.3589 -15.3504 -14.1360 -14.1354 -13.9694 -13.9671 -13.7131 -13.7062 -13.4969 -13.4941 -5.4391 -5.4200 -4.8107 -4.8073 -3.0489 -3.0309 -2.7764 -2.7567 -2.5702 -2.5186 -1.2716 -1.2330 -0.6403 -0.5290 -0.0778 -0.0007 0.3464 0.4095 0.7889 0.8571 1.3619 1.4172 1.7798 1.8096 2.0351 2.0443 2.3668 2.4013 2.4922 2.4986 2.9151 2.9226 3.0432 3.0652 3.3750 3.4423 3.5018 3.5103 7.7087 8.0014 9.4806 9.8470 10.4279 10.6399 11.5642 11.5832 12.1948 12.3058 k = 0.1682 0.1180 0.3467 ( 4073 PWs) bands (ev): -16.1813 -16.1806 -15.3491 -15.3401 -14.1532 -14.1525 -13.9838 -13.9810 -13.7173 -13.7109 -13.4967 -13.4940 -5.4708 -5.4513 -4.7942 -4.7904 -3.0280 -3.0094 -2.7723 -2.7518 -2.5463 -2.4947 -1.2938 -1.2543 -0.6534 -0.5408 -0.0673 0.0071 0.3351 0.3987 0.8062 0.8720 1.3834 1.4441 1.7915 1.8182 1.9915 1.9997 2.3580 2.4011 2.4787 2.4843 2.9061 2.9116 3.0470 3.0687 3.3805 3.4477 3.5065 3.5181 7.7247 8.0316 9.4779 9.8619 10.4180 10.6496 11.5906 11.6106 12.1993 12.3164 k = 0.1794 0.1259 0.3467 ( 4070 PWs) bands (ev): -16.1640 -16.1632 -15.3388 -15.3294 -14.1722 -14.1713 -13.9983 -13.9951 -13.7209 -13.7149 -13.4971 -13.4945 -5.5033 -5.4834 -4.7767 -4.7725 -3.0074 -2.9878 -2.7711 -2.7515 -2.5169 -2.4664 -1.3144 -1.2738 -0.6649 -0.5510 -0.0578 0.0133 0.3231 0.3879 0.8223 0.8854 1.4042 1.4714 1.7911 1.8111 1.9566 1.9614 2.3496 2.4005 2.4688 2.4728 2.8964 2.9010 3.0527 3.0742 3.3847 3.4501 3.5130 3.5294 7.7413 8.0611 9.4766 9.8758 10.4084 10.6596 11.6186 11.6396 12.2035 12.3263 k = 0.1906 0.1337 0.3467 ( 4070 PWs) bands (ev): -16.1456 -16.1448 -15.3281 -15.3182 -14.1932 -14.1919 -14.0126 -14.0091 -13.7240 -13.7185 -13.4981 -13.4955 -5.5365 -5.5163 -4.7582 -4.7536 -2.9875 -2.9666 -2.7718 -2.7542 -2.4833 -2.4344 -1.3329 -1.2911 -0.6746 -0.5593 -0.0495 0.0178 0.3104 0.3773 0.8368 0.8973 1.4235 1.4983 1.7718 1.7829 1.9338 1.9399 2.3411 2.3967 2.4602 2.4691 2.8858 2.8926 3.0599 3.0813 3.3877 3.4503 3.5209 3.5434 7.7581 8.0894 9.4769 9.8885 10.3995 10.6695 11.6481 11.6699 12.2073 12.3353 k = 0.2018 0.1416 0.3467 ( 4066 PWs) bands (ev): -16.1262 -16.1254 -15.3168 -15.3065 -14.2162 -14.2144 -14.0262 -14.0225 -13.7269 -13.7218 -13.4998 -13.4970 -5.5701 -5.5498 -4.7388 -4.7336 -2.9691 -2.9463 -2.7735 -2.7587 -2.4466 -2.3995 -1.3490 -1.3058 -0.6826 -0.5659 -0.0426 0.0203 0.2970 0.3668 0.8497 0.9076 1.4401 1.5236 1.7330 1.7393 1.9230 1.9322 2.3323 2.3887 2.4524 2.4741 2.8756 2.8865 3.0683 3.0896 3.3895 3.4494 3.5302 3.5593 7.7751 8.1164 9.4786 9.8999 10.3916 10.6795 11.6787 11.7014 12.2106 12.3435 k = 0.2130 0.1495 0.3467 ( 4072 PWs) bands (ev): -16.1059 -16.1050 -15.3053 -15.2946 -14.2411 -14.2389 -14.0391 -14.0354 -13.7296 -13.7249 -13.5019 -13.4990 -5.6041 -5.5837 -4.7183 -4.7128 -2.9527 -2.9276 -2.7755 -2.7638 -2.4074 -2.3622 -1.3623 -1.3175 -0.6889 -0.5707 -0.0373 0.0208 0.2830 0.3564 0.8608 0.9159 1.4521 1.5454 1.6824 1.6912 1.9195 1.9284 2.3238 2.3781 2.4464 2.4847 2.8673 2.8832 3.0773 3.0987 3.3905 3.4479 3.5408 3.5765 7.7919 8.1417 9.4820 9.9100 10.3848 10.6893 11.7105 11.7340 12.2134 12.3506 k = 0.2243 0.1574 0.3467 ( 4083 PWs) bands (ev): -16.0846 -16.0837 -15.2933 -15.2823 -14.2678 -14.2652 -14.0512 -14.0475 -13.7321 -13.7278 -13.5046 -13.5014 -5.6383 -5.6179 -4.6970 -4.6910 -2.9390 -2.9110 -2.7780 -2.7683 -2.3660 -2.3228 -1.3727 -1.3259 -0.6934 -0.5737 -0.0336 0.0193 0.2683 0.3464 0.8698 0.9219 1.4559 1.5577 1.6286 1.6500 1.9176 1.9237 2.3164 2.3667 2.4416 2.4986 2.8619 2.8828 3.0867 3.1082 3.3911 3.4463 3.5524 3.5947 7.8085 8.1651 9.4870 9.9185 10.3795 10.6990 11.7431 11.7674 12.2156 12.3569 k = 0.2355 0.1652 0.3467 ( 4085 PWs) bands (ev): -16.0624 -16.0614 -15.2811 -15.2698 -14.2962 -14.2932 -14.0624 -14.0588 -13.7347 -13.7308 -13.5078 -13.5043 -5.6725 -5.6522 -4.6747 -4.6684 -2.9283 -2.8973 -2.7810 -2.7710 -2.3228 -2.2815 -1.3798 -1.3310 -0.6963 -0.5749 -0.0317 0.0156 0.2533 0.3365 0.8762 0.9252 1.4454 1.5418 1.5857 1.6318 1.9143 1.9164 2.3110 2.3552 2.4379 2.5143 2.8599 2.8857 3.0963 3.1178 3.3917 3.4448 3.5649 3.6135 7.8246 8.1863 9.4936 9.9255 10.3758 10.7084 11.7764 11.8014 12.2171 12.3621 k = 0.2467 0.1731 0.3467 ( 4086 PWs) bands (ev): -16.0393 -16.0382 -15.2687 -15.2571 -14.3262 -14.3227 -14.0727 -14.0692 -13.7373 -13.7338 -13.5114 -13.5075 -5.7066 -5.6865 -4.6516 -4.6449 -2.9207 -2.8870 -2.7843 -2.7718 -2.2778 -2.2386 -1.3835 -1.3325 -0.6975 -0.5744 -0.0318 0.0098 0.2379 0.3270 0.8794 0.9249 1.4166 1.4934 1.5666 1.6350 1.9059 1.9087 2.3079 2.3440 2.4356 2.5311 2.8618 2.8919 3.1056 3.1270 3.3925 3.4438 3.5781 3.6328 7.8401 8.2052 9.5018 9.9310 10.3741 10.7175 11.8101 11.8358 12.2181 12.3663 k = 0.2579 0.1810 0.3467 ( 4083 PWs) bands (ev): -16.0153 -16.0142 -15.2561 -15.2443 -14.3574 -14.3536 -14.0821 -14.0788 -13.7401 -13.7368 -13.5154 -13.5111 -5.7404 -5.7206 -4.6277 -4.6206 -2.9161 -2.8805 -2.7867 -2.7714 -2.2313 -2.1939 -1.3839 -1.3306 -0.6971 -0.5722 -0.0342 0.0018 0.2225 0.3178 0.8785 0.9202 1.3754 1.4388 1.5584 1.6420 1.8926 1.9007 2.3061 2.3331 2.4360 2.5490 2.8675 2.9011 3.1145 3.1356 3.3940 3.4434 3.5919 3.6526 7.8549 8.2216 9.5113 9.9349 10.3744 10.7262 11.8439 11.8703 12.2184 12.3696 k = 0.2691 0.1888 0.3467 ( 4085 PWs) bands (ev): -15.9904 -15.9893 -15.2434 -15.2314 -14.3898 -14.3857 -14.0908 -14.0877 -13.7430 -13.7401 -13.5197 -13.5151 -5.7739 -5.7543 -4.6029 -4.5956 -2.9141 -2.8779 -2.7879 -2.7707 -2.1832 -2.1478 -1.3809 -1.3253 -0.6952 -0.5685 -0.0391 -0.0085 0.2073 0.3089 0.8725 0.9097 1.3312 1.3865 1.5528 1.6456 1.8774 1.8910 2.3036 2.3230 2.4408 2.5679 2.8768 2.9128 3.1227 3.1433 3.3963 3.4437 3.6061 3.6726 7.8690 8.2353 9.5221 9.9374 10.3769 10.7345 11.8776 11.9048 12.2182 12.3720 k = 0.2803 0.1967 0.3467 ( 4095 PWs) bands (ev): -15.9648 -15.9636 -15.2307 -15.2186 -14.4232 -14.4188 -14.0986 -14.0957 -13.7461 -13.7435 -13.5243 -13.5194 -5.8069 -5.7877 -4.5775 -4.5700 -2.9142 -2.8788 -2.7882 -2.7701 -2.1338 -2.1002 -1.3747 -1.3169 -0.6920 -0.5632 -0.0467 -0.0210 0.1927 0.3003 0.8601 0.8922 1.2900 1.3394 1.5455 1.6429 1.8617 1.8806 2.2980 2.3142 2.4517 2.5882 2.8891 2.9265 3.1300 3.1497 3.3998 3.4448 3.6206 3.6928 7.8821 8.2463 9.5339 9.9386 10.3815 10.7423 11.9108 11.9390 12.2174 12.3734 k = 0.2915 0.2046 0.3467 ( 4098 PWs) bands (ev): -15.9384 -15.9372 -15.2181 -15.2059 -14.4572 -14.4526 -14.1056 -14.1030 -13.7495 -13.7470 -13.5293 -13.5240 -5.8392 -5.8205 -4.5514 -4.5438 -2.9160 -2.8822 -2.7881 -2.7699 -2.0831 -2.0514 -1.3654 -1.3055 -0.6873 -0.5565 -0.0573 -0.0360 0.1791 0.2922 0.8404 0.8671 1.2550 1.2991 1.5345 1.6323 1.8469 1.8707 2.2890 2.3061 2.4693 2.6099 2.9036 2.9415 3.1363 3.1548 3.4045 3.4469 3.6354 3.7131 7.8944 8.2546 9.5465 9.9385 10.3885 10.7497 11.9432 11.9726 12.2160 12.3739 k = 0.3027 0.2124 0.3467 ( 4093 PWs) bands (ev): -15.9113 -15.9101 -15.2056 -15.1935 -14.4918 -14.4871 -14.1120 -14.1095 -13.7531 -13.7508 -13.5344 -13.5288 -5.8708 -5.8526 -4.5248 -4.5170 -2.9192 -2.8874 -2.7881 -2.7704 -2.0315 -2.0016 -1.3534 -1.2916 -0.6815 -0.5485 -0.0711 -0.0536 0.1666 0.2844 0.8129 0.8344 1.2275 1.2665 1.5188 1.6134 1.8342 1.8623 2.2782 2.2976 2.4928 2.6331 2.9196 2.9573 3.1416 3.1585 3.4105 3.4500 3.6505 3.7334 7.9059 8.2600 9.5597 9.9374 10.3978 10.7565 11.9745 12.0054 12.2142 12.3737 k = 0.3140 0.2203 0.3467 ( 4097 PWs) bands (ev): -15.8836 -15.8823 -15.1934 -15.1814 -14.5267 -14.5219 -14.1175 -14.1152 -13.7570 -13.7547 -13.5398 -13.5339 -5.9015 -5.8839 -4.4976 -4.4899 -2.9234 -2.8939 -2.7886 -2.7715 -1.9792 -1.9510 -1.3390 -1.2755 -0.6746 -0.5393 -0.0883 -0.0736 0.1555 0.2769 0.7784 0.7957 1.2072 1.2412 1.4981 1.5869 1.8238 1.8558 2.2672 2.2884 2.5210 2.6575 2.9364 2.9734 3.1456 3.1607 3.4179 3.4540 3.6657 3.7535 7.9164 8.2627 9.5733 9.9353 10.4092 10.7628 12.0042 12.0371 12.2120 12.3727 k = 0.3252 0.2282 0.3467 ( 4096 PWs) bands (ev): -15.8553 -15.8540 -15.1816 -15.1698 -14.5617 -14.5568 -14.1224 -14.1202 -13.7612 -13.7589 -13.5454 -13.5392 -5.9313 -5.9143 -4.4700 -4.4625 -2.9286 -2.9013 -2.7895 -2.7731 -1.9265 -1.9000 -1.3225 -1.2576 -0.6667 -0.5290 -0.1093 -0.0956 0.1456 0.2695 0.7387 0.7529 1.1928 1.2221 1.4728 1.5543 1.8154 1.8513 2.2566 2.2790 2.5523 2.6827 2.9535 2.9895 3.1485 3.1615 3.4263 3.4588 3.6811 3.7734 7.9261 8.2626 9.5870 9.9322 10.4229 10.7686 12.0322 12.0674 12.2095 12.3710 k = 0.3364 0.2360 0.3467 ( 4095 PWs) bands (ev): -15.8265 -15.8251 -15.1704 -15.1589 -14.5966 -14.5918 -14.1266 -14.1245 -13.7657 -13.7632 -13.5511 -13.5446 -5.9599 -5.9436 -4.4421 -4.4348 -2.9347 -2.9092 -2.7908 -2.7749 -1.8737 -1.8489 -1.3043 -1.2384 -0.6579 -0.5178 -0.1345 -0.1188 0.1366 0.2618 0.6959 0.7083 1.1826 1.2073 1.4435 1.5172 1.8086 1.8484 2.2471 2.2702 2.5855 2.7085 2.9703 3.0050 3.1503 3.1612 3.4356 3.4644 3.6968 3.7928 7.9351 8.2599 9.6008 9.9283 10.4386 10.7738 12.0580 12.0960 12.2068 12.3689 k = 0.3476 0.2439 0.3467 ( 4097 PWs) bands (ev): -15.7973 -15.7959 -15.1598 -15.1488 -14.6310 -14.6264 -14.1302 -14.1279 -13.7704 -13.7677 -13.5569 -13.5503 -5.9873 -5.9717 -4.4141 -4.4071 -2.9415 -2.9178 -2.7921 -2.7766 -1.8212 -1.7980 -1.2849 -1.2183 -0.6485 -0.5057 -0.1638 -0.1429 0.1279 0.2533 0.6527 0.6641 1.1747 1.1950 1.4113 1.4776 1.8032 1.8468 2.2390 2.2623 2.6196 2.7343 2.9864 3.0199 3.1510 3.1598 3.4456 3.4705 3.7126 3.8118 7.9434 8.2545 9.6145 9.9235 10.4563 10.7783 12.0813 12.1225 12.2044 12.3664 k = 0.3588 0.2518 0.3467 ( 4096 PWs) bands (ev): -15.7678 -15.7663 -15.1502 -15.1397 -14.6647 -14.6604 -14.1330 -14.1307 -13.7754 -13.7725 -13.5627 -13.5560 -6.0135 -5.9986 -4.3860 -4.3796 -2.9491 -2.9268 -2.7932 -2.7780 -1.7694 -1.7480 -1.2646 -1.1977 -0.6386 -0.4928 -0.1965 -0.1681 0.1189 0.2433 0.6113 0.6224 1.1674 1.1832 1.3776 1.4374 1.7990 1.8461 2.2327 2.2557 2.6536 2.7597 3.0016 3.0338 3.1509 3.1576 3.4558 3.4770 3.7288 3.8301 7.9512 8.2467 9.6280 9.9179 10.4757 10.7823 12.1018 12.1457 12.2030 12.3639 k = 0.3700 0.2596 0.3467 ( 4096 PWs) bands (ev): -15.7381 -15.7366 -15.1416 -15.1318 -14.6974 -14.6934 -14.1351 -14.1326 -13.7806 -13.7774 -13.5686 -13.5618 -6.0382 -6.0241 -4.3580 -4.3522 -2.9573 -2.9363 -2.7937 -2.7788 -1.7189 -1.6991 -1.2438 -1.1772 -0.6282 -0.4793 -0.2317 -0.1942 0.1086 0.2308 0.5739 0.5851 1.1586 1.1700 1.3444 1.3984 1.7958 1.8461 2.2284 2.2508 2.6869 2.7843 3.0156 3.0466 3.1498 3.1549 3.4659 3.4837 3.7453 3.8477 7.9585 8.2366 9.6413 9.9115 10.4966 10.7856 12.1189 12.1633 12.2051 12.3617 k = 0.3812 0.2675 0.3467 ( 4107 PWs) bands (ev): -15.7085 -15.7070 -15.1344 -15.1255 -14.7285 -14.7251 -14.1366 -14.1338 -13.7860 -13.7825 -13.5745 -13.5677 -6.0615 -6.0481 -4.3303 -4.3253 -2.9662 -2.9461 -2.7933 -2.7786 -1.6702 -1.6522 -1.2231 -1.1572 -0.6176 -0.4653 -0.2687 -0.2212 0.0963 0.2145 0.5424 0.5538 1.1461 1.1531 1.3142 1.3632 1.7936 1.8466 2.2260 2.2476 2.7188 2.8077 3.0282 3.0581 3.1481 3.1520 3.4756 3.4901 3.7621 3.8644 7.9655 8.2243 9.6543 9.9042 10.5189 10.7881 12.1321 12.1718 12.2143 12.3601 k = 0.3924 0.2754 0.3467 ( 4105 PWs) bands (ev): -15.6791 -15.6775 -15.1288 -15.1210 -14.7577 -14.7549 -14.1373 -14.1343 -13.7915 -13.7878 -13.5804 -13.5736 -6.0831 -6.0706 -4.3031 -4.2991 -2.9756 -2.9564 -2.7918 -2.7772 -1.6238 -1.6076 -1.2027 -1.1381 -0.6068 -0.4508 -0.3069 -0.2485 0.0813 0.1938 0.5184 0.5297 1.1272 1.1305 1.2899 1.3340 1.7926 1.8478 2.2257 2.2463 2.7489 2.8296 3.0393 3.0684 3.1458 3.1489 3.4846 3.4963 3.7794 3.8801 7.9723 8.2102 9.6671 9.8960 10.5421 10.7899 12.1407 12.1730 12.2290 12.3598 k = 0.4037 0.2832 0.3467 ( 4103 PWs) bands (ev): -15.6502 -15.6487 -15.1250 -15.1186 -14.7843 -14.7825 -14.1374 -14.1340 -13.7972 -13.7932 -13.5861 -13.5795 -6.1030 -6.0914 -4.2767 -4.2737 -2.9854 -2.9669 -2.7889 -2.7744 -1.5805 -1.5662 -1.1832 -1.1205 -0.5960 -0.4359 -0.3453 -0.2757 0.0633 0.1684 0.5024 0.5136 1.1003 1.1013 1.2733 1.3123 1.7927 1.8497 2.2274 2.2470 2.7768 2.8498 3.0485 3.0773 3.1430 3.1461 3.4924 3.5017 3.7972 3.8948 7.9789 8.1944 9.6798 9.8872 10.5660 10.7908 12.1442 12.1715 12.2448 12.3609 k = 0.4149 0.2911 0.3467 ( 4105 PWs) bands (ev): -15.6222 -15.6207 -15.1233 -15.1185 -14.8078 -14.8071 -14.1368 -14.1331 -13.8030 -13.7988 -13.5918 -13.5854 -6.1212 -6.1104 -4.2513 -4.2494 -2.9954 -2.9776 -2.7844 -2.7701 -1.5410 -1.5286 -1.1648 -1.1048 -0.5853 -0.4207 -0.3831 -0.3023 0.0423 0.1388 0.4943 0.5057 1.0655 1.0666 1.2638 1.2979 1.7942 1.8526 2.2310 2.2495 2.8021 2.8678 3.0560 3.0848 3.1402 3.1433 3.4987 3.5063 3.8153 3.9082 7.9856 8.1772 9.6922 9.8776 10.5903 10.7908 12.1428 12.1687 12.2600 12.3637 k = 0.4261 0.2990 0.3467 ( 4113 PWs) bands (ev): -15.5956 -15.5941 -15.1236 -15.1206 -14.8285 -14.8278 -14.1355 -14.1314 -13.8089 -13.8044 -13.5972 -13.5911 -6.1376 -6.1276 -4.2272 -4.2265 -3.0056 -2.9883 -2.7782 -2.7639 -1.5061 -1.4957 -1.1480 -1.0916 -0.5748 -0.4192 -0.4052 -0.3276 0.0185 0.1063 0.4934 0.5056 1.0259 1.0276 1.2598 1.2894 1.7973 1.8564 2.2364 2.2537 2.8248 2.8836 3.0614 3.0909 3.1373 3.1408 3.5034 3.5098 3.8337 3.9203 7.9923 8.1589 9.7045 9.8676 10.6147 10.7897 12.1379 12.1641 12.2740 12.3682 k = 0.4373 0.3068 0.3467 ( 4113 PWs) bands (ev): -15.5711 -15.5697 -15.1257 -15.1245 -14.8460 -14.8440 -14.1335 -14.1292 -13.8148 -13.8102 -13.6025 -13.5968 -6.1520 -6.1428 -4.2054 -4.2044 -3.0158 -2.9989 -2.7702 -2.7558 -1.4766 -1.4681 -1.1330 -1.0812 -0.5647 -0.4523 -0.3896 -0.3510 -0.0073 0.0720 0.4990 0.5124 0.9836 0.9858 1.2596 1.2853 1.8022 1.8616 2.2433 2.2597 2.8446 2.8970 3.0650 3.0957 3.1346 3.1386 3.5061 3.5119 3.8522 3.9310 7.9990 8.1400 9.7164 9.8572 10.6387 10.7875 12.1306 12.1571 12.2868 12.3742 k = 0.4485 0.3147 0.3467 ( 4119 PWs) bands (ev): -15.5495 -15.5482 -15.1295 -15.1289 -14.8597 -14.8565 -14.1310 -14.1263 -13.8207 -13.8159 -13.6075 -13.6023 -6.1645 -6.1561 -4.1860 -4.1838 -3.0257 -3.0093 -2.7603 -2.7456 -1.4532 -1.4465 -1.1200 -1.0741 -0.5558 -0.4808 -0.3793 -0.3667 -0.0344 0.0372 0.5104 0.5249 0.9402 0.9431 1.2622 1.2844 1.8089 1.8683 2.2518 2.2672 2.8615 2.9079 3.0666 3.0991 3.1318 3.1368 3.5068 3.5125 3.8705 3.9402 8.0057 8.1208 9.7279 9.8468 10.6620 10.7840 12.1217 12.1476 12.2983 12.3810 k = 0.4597 0.3226 0.3467 ( 4110 PWs) bands (ev): -15.5319 -15.5309 -15.1340 -15.1319 -14.8698 -14.8655 -14.1278 -14.1229 -13.8266 -13.8217 -13.6122 -13.6076 -6.1749 -6.1673 -4.1688 -4.1652 -3.0353 -3.0192 -2.7484 -2.7332 -1.4369 -1.4315 -1.1092 -1.0706 -0.5511 -0.5011 -0.3943 -0.3543 -0.0619 0.0026 0.5272 0.5425 0.8966 0.9003 1.2668 1.2860 1.8178 1.8767 2.2615 2.2760 2.8755 2.9162 3.0668 3.1010 3.1292 3.1352 3.5054 3.5115 3.8884 3.9477 8.0120 8.1021 9.7385 9.8369 10.6844 10.7791 12.1116 12.1358 12.3088 12.3885 k = 0.5000 0.3508-0.1708 ( 4108 PWs) bands (ev): -15.4956 -15.4956 -15.1761 -15.1761 -14.8587 -14.8587 -14.1014 -14.1014 -13.8603 -13.8603 -13.5948 -13.5948 -6.3512 -6.3512 -3.8481 -3.8481 -2.9586 -2.9586 -2.7765 -2.7765 -1.5605 -1.5605 -0.9515 -0.9515 -0.6077 -0.6077 -0.5010 -0.5010 -0.2122 -0.2122 0.6369 0.6369 0.9340 0.9340 1.3702 1.3702 1.7761 1.7761 2.2852 2.2852 2.8497 2.8497 3.0131 3.0131 3.1652 3.1652 3.6142 3.6142 3.9349 3.9349 8.0329 8.0329 9.7739 9.7739 10.8150 10.8150 12.1138 12.1138 12.3858 12.3858 k = 0.5078 0.3397-0.1708 ( 4104 PWs) bands (ev): -15.4966 -15.4966 -15.1762 -15.1757 -14.8579 -14.8578 -14.1014 -14.1012 -13.8605 -13.8604 -13.5949 -13.5946 -6.3505 -6.3505 -3.8497 -3.8496 -2.9589 -2.9588 -2.7752 -2.7752 -1.5660 -1.5595 -0.9640 -0.9396 -0.6227 -0.5911 -0.5021 -0.5007 -0.2114 -0.2104 0.6373 0.6374 0.9326 0.9343 1.3715 1.3722 1.7760 1.7766 2.2858 2.2859 2.8478 2.8513 3.0109 3.0156 3.1647 3.1649 3.6134 3.6142 3.9342 3.9344 8.0256 8.0414 9.7738 9.7744 10.8091 10.8186 12.1092 12.1178 12.3833 12.3836 k = 0.5156 0.3285-0.1708 ( 4108 PWs) bands (ev): -15.4997 -15.4996 -15.1759 -15.1751 -14.8553 -14.8551 -14.1011 -14.1007 -13.8609 -13.8607 -13.5948 -13.5941 -6.3486 -6.3486 -3.8545 -3.8544 -2.9597 -2.9595 -2.7714 -2.7714 -1.5757 -1.5629 -0.9769 -0.9290 -0.6351 -0.5738 -0.5032 -0.5014 -0.2083 -0.2063 0.6386 0.6388 0.9303 0.9335 1.3761 1.3776 1.7764 1.7777 2.2879 2.2881 2.8456 2.8525 3.0093 3.0185 3.1633 3.1638 3.6118 3.6135 3.9323 3.9328 8.0196 8.0513 9.7742 9.7755 10.8010 10.8197 12.1040 12.1211 12.3761 12.3769 k = 0.5235 0.3174-0.1708 ( 4104 PWs) bands (ev): -15.5048 -15.5046 -15.1753 -15.1741 -14.8511 -14.8508 -14.1005 -14.0999 -13.8615 -13.8612 -13.5946 -13.5935 -6.3455 -6.3454 -3.8624 -3.8622 -2.9610 -2.9606 -2.7652 -2.7652 -1.5896 -1.5706 -0.9900 -0.9203 -0.6446 -0.5587 -0.5027 -0.5018 -0.2027 -0.1999 0.6407 0.6410 0.9271 0.9319 1.3838 1.3862 1.7773 1.7792 2.2914 2.2917 2.8432 2.8533 3.0083 3.0218 3.1611 3.1619 3.6095 3.6120 3.9293 3.9299 8.0147 8.0624 9.7751 9.7771 10.7909 10.8185 12.0982 12.1238 12.3645 12.3658 k = 0.5313 0.3062-0.1708 ( 4100 PWs) bands (ev): -15.5118 -15.5116 -15.1745 -15.1728 -14.8452 -14.8449 -14.0997 -14.0988 -13.8623 -13.8620 -13.5942 -13.5928 -6.3410 -6.3409 -3.8732 -3.8730 -2.9627 -2.9622 -2.7567 -2.7567 -1.6072 -1.5824 -1.0033 -0.9144 -0.6508 -0.5507 -0.5044 -0.4934 -0.1949 -0.1912 0.6437 0.6442 0.9234 0.9296 1.3943 1.3977 1.7788 1.7813 2.2962 2.2967 2.8406 2.8535 3.0080 3.0253 3.1581 3.1592 3.6065 3.6098 3.9251 3.9259 8.0109 8.0748 9.7763 9.7792 10.7789 10.8147 12.0919 12.1257 12.3487 12.3505 k = 0.5391 0.2951-0.1708 ( 4092 PWs) bands (ev): -15.5205 -15.5203 -15.1733 -15.1712 -14.8379 -14.8374 -14.0986 -14.0975 -13.8633 -13.8629 -13.5936 -13.5918 -6.3353 -6.3352 -3.8867 -3.8864 -2.9649 -2.9643 -2.7461 -2.7460 -1.6282 -1.5980 -1.0170 -0.9119 -0.6541 -0.5520 -0.5056 -0.4757 -0.1849 -0.1805 0.6476 0.6483 0.9195 0.9268 1.4073 1.4120 1.7808 1.7839 2.3024 2.3030 2.8377 2.8530 3.0084 3.0291 3.1543 3.1556 3.6028 3.6068 3.9197 3.9208 8.0081 8.0885 9.7779 9.7820 10.7652 10.8085 12.0851 12.1269 12.3291 12.3316 k = 0.5469 0.2840-0.1708 ( 4094 PWs) bands (ev): -15.5310 -15.5307 -15.1719 -15.1694 -14.8292 -14.8286 -14.0972 -14.0959 -13.8646 -13.8641 -13.5928 -13.5907 -6.3284 -6.3283 -3.9027 -3.9024 -2.9676 -2.9669 -2.7336 -2.7335 -1.6521 -1.6170 -1.0311 -0.9133 -0.6552 -0.5595 -0.5053 -0.4522 -0.1728 -0.1678 0.6524 0.6533 0.9155 0.9239 1.4225 1.4287 1.7835 1.7871 2.3097 2.3104 2.8344 2.8516 3.0097 3.0331 3.1497 3.1513 3.5983 3.6031 3.9132 3.9144 8.0061 8.1034 9.7798 9.7854 10.7501 10.7998 12.0777 12.1273 12.3060 12.3094 k = 0.5547 0.2728-0.1708 ( 4098 PWs) bands (ev): -15.5429 -15.5426 -15.1701 -15.1672 -14.8192 -14.8186 -14.0955 -14.0941 -13.8660 -13.8654 -13.5918 -13.5894 -6.3203 -6.3201 -3.9209 -3.9205 -2.9707 -2.9699 -2.7194 -2.7193 -1.6786 -1.6389 -1.0457 -0.9187 -0.6556 -0.5703 -0.5022 -0.4257 -0.1589 -0.1534 0.6581 0.6592 0.9118 0.9212 1.4395 1.4475 1.7868 1.7911 2.3182 2.3190 2.8308 2.8493 3.0118 3.0373 3.1444 3.1462 3.5932 3.5988 3.9055 3.9069 8.0050 8.1195 9.7820 9.7893 10.7337 10.7889 12.0697 12.1268 12.2800 12.2845 k = 0.5626 0.2617-0.1708 ( 4094 PWs) bands (ev): -15.5563 -15.5560 -15.1681 -15.1648 -14.8082 -14.8075 -14.0936 -14.0920 -13.8676 -13.8669 -13.5907 -13.5879 -6.3109 -6.3107 -3.9411 -3.9406 -2.9743 -2.9734 -2.7038 -2.7036 -1.7072 -1.6635 -1.0611 -0.9276 -0.6571 -0.5835 -0.4952 -0.3974 -0.1433 -0.1375 0.6647 0.6662 0.9087 0.9189 1.4582 1.4681 1.7909 1.7957 2.3277 2.3287 2.8267 2.8460 3.0148 3.0416 3.1383 3.1404 3.5874 3.5937 3.8966 3.8983 8.0044 8.1366 9.7844 9.7940 10.7164 10.7758 12.0612 12.1253 12.2518 12.2574 k = 0.5704 0.2505-0.1708 ( 4090 PWs) bands (ev): -15.5709 -15.5706 -15.1658 -15.1621 -14.7961 -14.7954 -14.0915 -14.0897 -13.8694 -13.8686 -13.5893 -13.5863 -6.3004 -6.3002 -3.9629 -3.9624 -2.9782 -2.9772 -2.6869 -2.6867 -1.7377 -1.6903 -1.0772 -0.9397 -0.6613 -0.5985 -0.4833 -0.3679 -0.1263 -0.1202 0.6722 0.6741 0.9063 0.9172 1.4781 1.4901 1.7958 1.8012 2.3381 2.3393 2.8222 2.8416 3.0185 3.0459 3.1316 3.1340 3.5811 3.5880 3.8865 3.8885 8.0044 8.1548 9.7869 9.7992 10.6984 10.7606 12.0518 12.1223 12.2223 12.2288 k = 0.5782 0.2394-0.1708 ( 4096 PWs) bands (ev): -15.5867 -15.5863 -15.1633 -15.1592 -14.7833 -14.7825 -14.0890 -14.0871 -13.8713 -13.8705 -13.5878 -13.5845 -6.2887 -6.2885 -3.9861 -3.9856 -2.9825 -2.9815 -2.6690 -2.6688 -1.7696 -1.7191 -1.0942 -0.9543 -0.6686 -0.6150 -0.4666 -0.3375 -0.1080 -0.1019 0.6808 0.6831 0.9048 0.9164 1.4992 1.5134 1.8015 1.8075 2.3494 2.3507 2.8171 2.8362 3.0229 3.0501 3.1242 3.1269 3.5742 3.5817 3.8754 3.8775 8.0047 8.1738 9.7896 9.8050 10.6800 10.7437 12.0416 12.1169 12.1928 12.1995 k = 0.5860 0.2282-0.1708 ( 4100 PWs) bands (ev): -15.6034 -15.6031 -15.1605 -15.1561 -14.7697 -14.7689 -14.0864 -14.0843 -13.8734 -13.8725 -13.5861 -13.5824 -6.2759 -6.2756 -4.0105 -4.0100 -2.9872 -2.9861 -2.6503 -2.6500 -1.8027 -1.7494 -1.1120 -0.9710 -0.6791 -0.6326 -0.4457 -0.3066 -0.0887 -0.0827 0.6904 0.6933 0.9044 0.9166 1.5210 1.5377 1.8081 1.8146 2.3614 2.3629 2.8114 2.8297 3.0277 3.0541 3.1162 3.1193 3.5668 3.5748 3.8630 3.8654 8.0051 8.1936 9.7922 9.8114 10.6615 10.7253 12.0300 12.1070 12.1661 12.1702 k = 0.5938 0.2171-0.1708 ( 4104 PWs) bands (ev): -15.6211 -15.6207 -15.1576 -15.1527 -14.7556 -14.7546 -14.0835 -14.0813 -13.8756 -13.8746 -13.5841 -13.5802 -6.2620 -6.2617 -4.0358 -4.0353 -2.9922 -2.9911 -2.6309 -2.6306 -1.8368 -1.7810 -1.1306 -0.9894 -0.6922 -0.6514 -0.4216 -0.2753 -0.0687 -0.0629 0.7011 0.7046 0.9052 0.9179 1.5436 1.5628 1.8157 1.8227 2.3740 2.3757 2.8051 2.8223 3.0326 3.0575 3.1079 3.1116 3.5590 3.5675 3.8495 3.8521 8.0056 8.2140 9.7947 9.8182 10.6434 10.7056 12.0166 12.0889 12.1420 12.1461 k = 0.6017 0.2059-0.1708 ( 4100 PWs) bands (ev): -15.6395 -15.6392 -15.1543 -15.1491 -14.7409 -14.7400 -14.0803 -14.0780 -13.8779 -13.8768 -13.5820 -13.5778 -6.2470 -6.2467 -4.0619 -4.0614 -2.9976 -2.9964 -2.6111 -2.6107 -1.8716 -1.8137 -1.1500 -1.0093 -0.7075 -0.6710 -0.3951 -0.2438 -0.0483 -0.0427 0.7131 0.7173 0.9072 0.9204 1.5667 1.5885 1.8241 1.8317 2.3872 2.3890 2.7982 2.8139 3.0373 3.0598 3.0995 3.1042 3.5508 3.5596 3.8349 3.8378 8.0059 8.2349 9.7971 9.8255 10.6259 10.6850 12.0008 12.0622 12.1158 12.1338 k = 0.6095 0.1948-0.1708 ( 4098 PWs) bands (ev): -15.6586 -15.6583 -15.1510 -15.1454 -14.7259 -14.7249 -14.0769 -14.0745 -13.8802 -13.8790 -13.5797 -13.5752 -6.2310 -6.2306 -4.0885 -4.0880 -3.0032 -3.0021 -2.5910 -2.5905 -1.9068 -1.8471 -1.1700 -1.0303 -0.7243 -0.6912 -0.3668 -0.2123 -0.0277 -0.0226 0.7263 0.7313 0.9105 0.9242 1.5902 1.6147 1.8335 1.8417 2.4009 2.4029 2.7906 2.8047 3.0410 3.0599 3.0915 3.0979 3.5423 3.5514 3.8192 3.8223 8.0058 8.2560 9.7991 9.8331 10.6096 10.6639 11.9819 12.0309 12.0927 12.1254 k = 0.6173 0.1837-0.1708 ( 4092 PWs) bands (ev): -15.6784 -15.6780 -15.1474 -15.1414 -14.7106 -14.7095 -14.0733 -14.0709 -13.8826 -13.8814 -13.5771 -13.5724 -6.2140 -6.2135 -4.1155 -4.1150 -3.0092 -3.0081 -2.5706 -2.5701 -1.9425 -1.8810 -1.1907 -1.0522 -0.7424 -0.7121 -0.3374 -0.1810 -0.0073 -0.0027 0.7409 0.7467 0.9151 0.9291 1.6140 1.6411 1.8439 1.8525 2.4150 2.4170 2.7824 2.7948 3.0424 3.0567 3.0850 3.0939 3.5336 3.5428 3.8025 3.8058 8.0054 8.2772 9.8006 9.8407 10.5947 10.6426 11.9599 11.9980 12.0731 12.1183 k = 0.3827-0.5454 0.0000 ( 4092 PWs) bands (ev): -15.6784 -15.6780 -15.1474 -15.1414 -14.7106 -14.7095 -14.0733 -14.0709 -13.8826 -13.8814 -13.5771 -13.5724 -6.2140 -6.2135 -4.1155 -4.1150 -3.0092 -3.0081 -2.5706 -2.5701 -1.9425 -1.8810 -1.1907 -1.0522 -0.7424 -0.7121 -0.3374 -0.1810 -0.0073 -0.0027 0.7409 0.7467 0.9151 0.9291 1.6140 1.6411 1.8439 1.8525 2.4150 2.4170 2.7824 2.7948 3.0424 3.0567 3.0850 3.0939 3.5336 3.5428 3.8025 3.8058 8.0054 8.2772 9.8006 9.8407 10.5947 10.6426 11.9599 11.9980 12.0731 12.1183 k = 0.3749-0.5343-0.0000 ( 4092 PWs) bands (ev): -15.6986 -15.6982 -15.1437 -15.1374 -14.6951 -14.6940 -14.0695 -14.0670 -13.8850 -13.8837 -13.5743 -13.5695 -6.1960 -6.1955 -4.1426 -4.1421 -3.0154 -3.0144 -2.5503 -2.5497 -1.9782 -1.9153 -1.2119 -1.0749 -0.7613 -0.7332 -0.3073 -0.1499 0.0126 0.0165 0.7570 0.7638 0.9209 0.9353 1.6379 1.6677 1.8551 1.8643 2.4293 2.4315 2.7734 2.7841 3.0401 3.0499 3.0815 3.0925 3.5247 3.5340 3.7847 3.7883 8.0043 8.2983 9.8015 9.8482 10.5817 10.6216 11.9352 11.9648 12.0568 12.1115 k = 0.3671-0.5232-0.0000 ( 4084 PWs) bands (ev): -15.7192 -15.7189 -15.1398 -15.1332 -14.6794 -14.6783 -14.0655 -14.0629 -13.8873 -13.8860 -13.5713 -13.5663 -6.1770 -6.1766 -4.1698 -4.1693 -3.0220 -3.0210 -2.5300 -2.5293 -2.0139 -1.9498 -1.2334 -1.0981 -0.7808 -0.7546 -0.2768 -0.1192 0.0317 0.0350 0.7746 0.7824 0.9279 0.9427 1.6619 1.6943 1.8673 1.8770 2.4438 2.4461 2.7639 2.7727 3.0336 3.0404 3.0812 3.0926 3.5158 3.5250 3.7658 3.7698 8.0025 8.3191 9.8016 9.8553 10.5712 10.6013 11.9087 11.9320 12.0433 12.1045 k = 0.3593-0.5120-0.0000 ( 4080 PWs) bands (ev): -15.7403 -15.7399 -15.1358 -15.1289 -14.6638 -14.6626 -14.0612 -14.0586 -13.8897 -13.8883 -13.5681 -13.5629 -6.1572 -6.1567 -4.1970 -4.1965 -3.0288 -3.0280 -2.5099 -2.5091 -2.0495 -1.9843 -1.2552 -1.1216 -0.8006 -0.7759 -0.2462 -0.0890 0.0498 0.0524 0.7939 0.8028 0.9362 0.9513 1.6859 1.7207 1.8803 1.8904 2.4585 2.4608 2.7536 2.7608 3.0240 3.0291 3.0829 3.0932 3.5070 3.5160 3.7460 3.7503 8.0000 8.3394 9.8007 9.8618 10.5635 10.5822 11.8813 11.8998 12.0318 12.0972 k = 0.3515-0.5009-0.0000 ( 4078 PWs) bands (ev): -15.7616 -15.7613 -15.1317 -15.1245 -14.6481 -14.6470 -14.0568 -14.0542 -13.8919 -13.8904 -13.5647 -13.5593 -6.1366 -6.1360 -4.2239 -4.2236 -3.0359 -3.0354 -2.4902 -2.4893 -2.0848 -2.0186 -1.2771 -1.1453 -0.8205 -0.7970 -0.2156 -0.0594 0.0666 0.0685 0.8147 0.8248 0.9456 0.9609 1.7098 1.7470 1.8940 1.9047 2.4732 2.4756 2.7428 2.7484 3.0125 3.0167 3.0853 3.0937 3.4983 3.5069 3.7252 3.7298 7.9965 8.3590 9.7986 9.8672 10.5591 10.5645 11.8537 11.8686 12.0218 12.0894 k = 0.3437-0.4898-0.0000 ( 4086 PWs) bands (ev): -15.7832 -15.7829 -15.1276 -15.1200 -14.6326 -14.6314 -14.0522 -14.0496 -13.8941 -13.8925 -13.5610 -13.5555 -6.1151 -6.1145 -4.2507 -4.2503 -3.0433 -3.0431 -2.4708 -2.4698 -2.1198 -2.0527 -1.2989 -1.1690 -0.8401 -0.8178 -0.1853 -0.0305 0.0819 0.0831 0.8371 0.8486 0.9561 0.9716 1.7336 1.7729 1.9085 1.9195 2.4878 2.4903 2.7314 2.7354 2.9999 3.0035 3.0875 3.0935 3.4899 3.4980 3.7035 3.7085 7.9922 8.3777 9.7951 9.8714 10.5488 10.5583 11.8264 11.8384 12.0129 12.0810 k = 0.3358-0.4786-0.0000 ( 4086 PWs) bands (ev): -15.8050 -15.8047 -15.1233 -15.1155 -14.6172 -14.6160 -14.0474 -14.0448 -13.8960 -13.8945 -13.5572 -13.5516 -6.0928 -6.0922 -4.2770 -4.2768 -3.0512 -3.0511 -2.4521 -2.4509 -2.1542 -2.0864 -1.3206 -1.1926 -0.8593 -0.8379 -0.1555 -0.0024 0.0956 0.0961 0.8609 0.8739 0.9678 0.9832 1.7573 1.7984 1.9236 1.9350 2.5024 2.5049 2.7195 2.7221 2.9867 2.9898 3.0889 3.0925 3.4818 3.4893 3.6810 3.6863 7.9869 8.3954 9.7902 9.8741 10.5352 10.5615 11.7996 11.8094 12.0049 12.0722 k = 0.3280-0.4675-0.0000 ( 4094 PWs) bands (ev): -15.8269 -15.8266 -15.1191 -15.1110 -14.6020 -14.6008 -14.0424 -14.0398 -13.8978 -13.8962 -13.5531 -13.5474 -6.0698 -6.0691 -4.3030 -4.3028 -3.0597 -3.0593 -2.4340 -2.4327 -2.1880 -2.1195 -1.3419 -1.2158 -0.8778 -0.8572 -0.1262 0.0248 0.1074 0.1078 0.8859 0.9008 0.9807 0.9957 1.7806 1.8234 1.9392 1.9509 2.5166 2.5192 2.7070 2.7084 2.9730 2.9757 3.0894 3.0905 3.4741 3.4809 3.6576 3.6634 7.9807 8.4118 9.7837 9.8751 10.5239 10.5688 11.7737 11.7816 11.9979 12.0628 k = 0.3202-0.4564-0.0000 ( 4098 PWs) bands (ev): -15.8489 -15.8487 -15.1148 -15.1064 -14.5871 -14.5858 -14.0372 -14.0347 -13.8994 -13.8978 -13.5488 -13.5430 -6.0462 -6.0454 -4.3284 -4.3283 -3.0687 -3.0678 -2.4168 -2.4153 -2.2210 -2.1520 -1.3626 -1.2385 -0.8953 -0.8755 -0.0977 0.0507 0.1171 0.1184 0.9116 0.9289 0.9950 1.0093 1.8037 1.8478 1.9552 1.9672 2.5304 2.5331 2.6942 2.6945 2.9591 2.9615 3.0874 3.0887 3.4668 3.4730 3.6336 3.6398 7.9737 8.4269 9.7757 9.8743 10.5152 10.5802 11.7487 11.7550 11.9917 12.0529 k = 0.3124-0.4452-0.0000 ( 4106 PWs) bands (ev): -15.8710 -15.8707 -15.1105 -15.1019 -14.5726 -14.5713 -14.0319 -14.0295 -13.9007 -13.8991 -13.5443 -13.5385 -6.0218 -6.0210 -4.3532 -4.3532 -3.0782 -3.0768 -2.4008 -2.3989 -2.2531 -2.1837 -1.3827 -1.2606 -0.9117 -0.8925 -0.0701 0.0749 0.1251 0.1278 0.9375 0.9577 1.0111 1.0239 1.8263 1.8713 1.9716 1.9837 2.5436 2.5465 2.6804 2.6812 2.9452 2.9472 3.0832 3.0867 3.4602 3.4655 3.6089 3.6155 7.9659 8.4405 9.7661 9.8718 10.5090 10.5956 11.7246 11.7296 11.9865 12.0426 k = 0.3046-0.4341-0.0000 ( 4096 PWs) bands (ev): -15.8931 -15.8928 -15.1062 -15.0974 -14.5584 -14.5571 -14.0264 -14.0241 -13.9017 -13.9000 -13.5396 -13.5338 -5.9969 -5.9960 -4.3775 -4.3775 -3.0882 -3.0863 -2.3861 -2.3836 -2.2840 -2.2146 -1.4020 -1.2819 -0.9266 -0.9081 -0.0436 0.0965 0.1317 0.1370 0.9625 0.9867 1.0297 1.0401 1.8486 1.8941 1.9882 2.0003 2.5558 2.5590 2.6663 2.6682 2.9315 2.9331 3.0778 3.0833 3.4540 3.4586 3.5836 3.5908 7.9575 8.4526 9.7551 9.8676 10.5052 10.6146 11.7014 11.7052 11.9822 12.0319 k = 0.2968-0.4230-0.0000 ( 4094 PWs) bands (ev): -15.9151 -15.9149 -15.1019 -15.0929 -14.5447 -14.5434 -14.0207 -14.0185 -13.9024 -13.9007 -13.5347 -13.5289 -5.9714 -5.9705 -4.4012 -4.4010 -3.0987 -3.0963 -2.3735 -2.3697 -2.3131 -2.2446 -1.4204 -1.3022 -0.9398 -0.9219 -0.0183 0.1134 0.1370 0.1482 0.9857 1.0144 1.0515 1.0587 1.8704 1.9158 2.0048 2.0169 2.5665 2.5704 2.6526 2.6557 2.9182 2.9194 3.0712 3.0783 3.4485 3.4522 3.5579 3.5656 7.9485 8.4631 9.7429 9.8620 10.5035 10.6369 11.6791 11.6819 11.9791 12.0208 k = 0.2890-0.4119-0.0000 ( 4096 PWs) bands (ev): -15.9371 -15.9368 -15.0977 -15.0886 -14.5315 -14.5302 -14.0150 -14.0129 -13.9027 -13.9010 -13.5297 -13.5238 -5.9454 -5.9445 -4.4241 -4.4239 -3.1099 -3.1068 -2.3668 -2.3573 -2.3368 -2.2736 -1.4376 -1.3214 -0.9511 -0.9337 0.0054 0.1233 0.1413 0.1635 1.0063 1.0391 1.0767 1.0814 1.8916 1.9364 2.0214 2.0333 2.5748 2.5797 2.6398 2.6444 2.9055 2.9063 3.0634 3.0719 3.4435 3.4464 3.5319 3.5402 7.9391 8.4719 9.7296 9.8552 10.5037 10.6620 11.6576 11.6596 11.9771 12.0096 k = 0.2812-0.4007-0.0000 ( 4094 PWs) bands (ev): -15.9589 -15.9587 -15.0936 -15.0843 -14.5189 -14.5175 -14.0091 -14.0071 -13.9026 -13.9008 -13.5244 -13.5186 -5.9190 -5.9180 -4.4463 -4.4460 -3.1216 -3.1179 -2.3803 -2.3467 -2.3408 -2.3013 -1.4535 -1.3393 -0.9603 -0.9433 0.0271 0.1278 0.1451 0.1815 1.0247 1.0598 1.1048 1.1086 1.9121 1.9558 2.0378 2.0494 2.5789 2.5853 2.6294 2.6359 2.8938 2.8941 3.0545 3.0640 3.4390 3.4410 3.5056 3.5146 7.9295 8.4791 9.7157 9.8474 10.5052 10.6891 11.6367 11.6380 11.9765 11.9983 k = 0.2734-0.3896-0.0000 ( 4094 PWs) bands (ev): -15.9806 -15.9804 -15.0895 -15.0801 -14.5069 -14.5054 -14.0030 -14.0012 -13.9020 -13.9003 -13.5190 -13.5132 -5.8921 -5.8911 -4.4677 -4.4673 -3.1339 -3.1297 -2.4047 -2.3402 -2.3345 -2.3258 -1.4681 -1.3558 -0.9670 -0.9505 0.0462 0.1289 0.1490 0.2001 1.0413 1.0777 1.1350 1.1389 1.9319 1.9738 2.0540 2.0651 2.5772 2.5842 2.6242 2.6317 2.8832 2.8833 3.0446 3.0548 3.4349 3.4360 3.4793 3.4892 7.9199 8.4847 9.7014 9.8390 10.5078 10.7177 11.6165 11.6172 11.9773 11.9871 k = 0.2655-0.3785-0.0000 ( 4098 PWs) bands (ev): -16.0021 -16.0019 -15.0856 -15.0760 -14.4955 -14.4940 -13.9969 -13.9952 -13.9010 -13.8992 -13.5134 -13.5077 -5.8649 -5.8638 -4.4882 -4.4877 -3.1468 -3.1420 -2.4299 -2.3567 -2.3283 -2.3282 -1.4811 -1.3709 -0.9711 -0.9552 0.0619 0.1278 0.1539 0.2183 1.0567 1.0939 1.1663 1.1707 1.9508 1.9902 2.0696 2.0802 2.5699 2.5762 2.6243 2.6314 2.8738 2.8745 3.0339 3.0442 3.4308 3.4313 3.4530 3.4644 7.9103 8.4887 9.6869 9.8302 10.5110 10.7469 11.5968 11.5970 11.9762 11.9796 k = 0.2577-0.3673-0.0000 ( 4096 PWs) bands (ev): -16.0234 -16.0232 -15.0817 -15.0721 -14.4848 -14.4833 -13.9907 -13.9891 -13.8994 -13.8977 -13.5077 -13.5021 -5.8375 -5.8363 -4.5079 -4.5073 -3.1604 -3.1550 -2.4544 -2.3810 -2.3238 -2.3236 -1.4925 -1.3843 -0.9724 -0.9570 0.0734 0.1252 0.1609 0.2356 1.0712 1.1093 1.1981 1.2030 1.9687 2.0049 2.0846 2.0947 2.5594 2.5645 2.6262 2.6325 2.8664 2.8676 3.0223 3.0325 3.4230 3.4254 3.4295 3.4428 7.9010 8.4914 9.6725 9.8213 10.5142 10.7762 11.5774 11.5774 11.9659 11.9836 k = 0.2499-0.3562-0.0000 ( 4096 PWs) bands (ev): -16.0444 -16.0442 -15.0780 -15.0683 -14.4748 -14.4733 -13.9843 -13.9830 -13.8973 -13.8957 -13.5019 -13.4964 -5.8098 -5.8086 -4.5266 -4.5259 -3.1745 -3.1686 -2.4780 -2.4047 -2.3211 -2.3209 -1.5022 -1.3960 -0.9708 -0.9559 0.0802 0.1213 0.1703 0.2517 1.0852 1.1241 1.2297 1.2350 1.9855 2.0176 2.0990 2.1083 2.5476 2.5515 2.6274 2.6331 2.8612 2.8628 3.0100 3.0198 3.4008 3.4059 3.4254 3.4313 7.8922 8.4927 9.6585 9.8124 10.5172 10.8047 11.5580 11.5583 11.9565 11.9892 k = 0.2421-0.3451-0.0000 ( 4104 PWs) bands (ev): -16.0651 -16.0650 -15.0744 -15.0647 -14.4656 -14.4640 -13.9779 -13.9767 -13.8947 -13.8931 -13.4960 -13.4906 -5.7820 -5.7808 -4.5444 -4.5436 -3.1891 -3.1829 -2.5004 -2.4276 -2.3206 -2.3204 -1.5101 -1.4059 -0.9662 -0.9518 0.0827 0.1164 0.1818 0.2665 1.0987 1.1384 1.2609 1.2664 2.0010 2.0282 2.1124 2.1210 2.5356 2.5382 2.6270 2.6320 2.8583 2.8604 2.9971 3.0062 3.3756 3.3830 3.4226 3.4262 7.8840 8.4928 9.6451 9.8038 10.5195 10.8316 11.5390 11.5393 11.9482 11.9963 k = 0.2343-0.3339-0.0000 ( 4100 PWs) bands (ev): -16.0855 -16.0854 -15.0709 -15.0613 -14.4571 -14.4555 -13.9714 -13.9704 -13.8916 -13.8900 -13.4900 -13.4847 -5.7542 -5.7528 -4.5612 -4.5603 -3.2043 -3.1976 -2.5217 -2.4495 -2.3224 -2.3222 -1.5162 -1.4140 -0.9585 -0.9446 0.0820 0.1106 0.1946 0.2800 1.1117 1.1523 1.2912 1.2969 2.0149 2.0365 2.1248 2.1327 2.5242 2.5252 2.6246 2.6289 2.8576 2.8601 2.9839 2.9919 3.3512 3.3594 3.4200 3.4227 7.8767 8.4917 9.6326 9.7958 10.5208 10.8564 11.5201 11.5205 11.9415 12.0050 k = 0.2265-0.3228 0.0000 ( 4096 PWs) bands (ev): -16.1056 -16.1055 -15.0676 -15.0580 -14.4493 -14.4477 -13.9649 -13.9640 -13.8879 -13.8863 -13.4839 -13.4788 -5.7263 -5.7249 -4.5770 -4.5759 -3.2199 -3.2129 -2.5420 -2.4705 -2.3265 -2.3263 -1.5203 -1.4201 -0.9476 -0.9344 0.0789 0.1040 0.2077 0.2920 1.1244 1.1658 1.3204 1.3261 2.0272 2.0422 2.1361 2.1432 2.5129 2.5138 2.6203 2.6238 2.8588 2.8618 2.9703 2.9770 3.3276 3.3363 3.4174 3.4197 7.8702 8.4898 9.6211 9.7883 10.5210 10.8782 11.5013 11.5017 11.9365 12.0152 k = 0.2187-0.3117-0.0000 ( 4090 PWs) bands (ev): -16.1252 -16.1251 -15.0645 -15.0549 -14.4423 -14.4407 -13.9584 -13.9576 -13.8838 -13.8822 -13.4778 -13.4728 -5.6985 -5.6971 -4.5917 -4.5905 -3.2359 -3.2287 -2.5612 -2.4907 -2.3329 -2.3327 -1.5225 -1.4244 -0.9337 -0.9210 0.0743 0.0969 0.2207 0.3027 1.1368 1.1788 1.3482 1.3539 2.0374 2.0453 2.1462 2.1526 2.5013 2.5048 2.6143 2.6168 2.8616 2.8651 2.9566 2.9618 3.3052 3.3141 3.4150 3.4168 7.8649 8.4870 9.6108 9.7817 10.5198 10.8965 11.4825 11.4828 11.9336 12.0266 k = 0.2109-0.3005-0.0000 ( 4088 PWs) bands (ev): -16.1445 -16.1444 -15.0615 -15.0519 -14.4361 -14.4345 -13.9518 -13.9512 -13.8791 -13.8776 -13.4716 -13.4668 -5.6710 -5.6695 -4.6052 -4.6040 -3.2522 -3.2448 -2.5794 -2.5100 -2.3415 -2.3412 -1.5227 -1.4268 -0.9168 -0.9047 0.0685 0.0893 0.2330 0.3119 1.1488 1.1914 1.3743 1.3799 2.0455 2.0455 2.1550 2.1607 2.4909 2.4975 2.6071 2.6084 2.8654 2.8695 2.9429 2.9464 3.2842 3.2930 3.4125 3.4140 7.8607 8.4835 9.6017 9.7760 10.5171 10.9108 11.4636 11.4639 11.9329 12.0390 k = 0.2031-0.2894-0.0000 ( 4084 PWs) bands (ev): -16.1633 -16.1632 -15.0586 -15.0492 -14.4306 -14.4290 -13.9452 -13.9447 -13.8739 -13.8725 -13.4655 -13.4608 -5.6437 -5.6422 -4.6176 -4.6162 -3.2687 -3.2612 -2.5966 -2.5285 -2.3521 -2.3518 -1.5211 -1.4273 -0.8970 -0.8856 0.0619 0.0813 0.2445 0.3196 1.1604 1.2035 1.3986 1.4039 2.0429 2.0511 2.1626 2.1675 2.4817 2.4919 2.5988 2.5990 2.8695 2.8746 2.9297 2.9309 3.2647 3.2733 3.4100 3.4112 7.8579 8.4795 9.5941 9.7713 10.5130 10.9206 11.4445 11.4448 11.9347 12.0523 k = 0.1953-0.2783-0.0000 ( 4088 PWs) bands (ev): -16.1816 -16.1815 -15.0560 -15.0467 -14.4258 -14.4241 -13.9386 -13.9383 -13.8684 -13.8670 -13.4593 -13.4548 -5.6169 -5.6153 -4.6287 -4.6273 -3.2853 -3.2778 -2.6130 -2.5463 -2.3648 -2.3644 -1.5175 -1.4259 -0.8746 -0.8638 0.0549 0.0732 0.2550 0.3259 1.1716 1.2149 1.4209 1.4259 2.0376 2.0543 2.1689 2.1731 2.4739 2.4879 2.5883 2.5901 2.8731 2.8799 2.9156 2.9173 3.2470 3.2551 3.4073 3.4083 7.8564 8.4749 9.5880 9.7677 10.5075 10.9258 11.4252 11.4256 11.9389 12.0662 k = 0.1874-0.2671-0.0000 ( 4084 PWs) bands (ev): -16.1995 -16.1994 -15.0535 -15.0443 -14.4216 -14.4200 -13.9321 -13.9319 -13.8624 -13.8611 -13.4532 -13.4488 -5.5905 -5.5889 -4.6386 -4.6371 -3.3020 -3.2945 -2.6285 -2.5635 -2.3791 -2.3787 -1.5121 -1.4228 -0.8497 -0.8395 0.0475 0.0649 0.2645 0.3309 1.1824 1.2256 1.4411 1.4457 2.0299 2.0547 2.1739 2.1776 2.4676 2.4856 2.5771 2.5809 2.8747 2.8849 2.9011 2.9073 3.2311 3.2387 3.4046 3.4053 7.8564 8.4701 9.5836 9.7654 10.5008 10.9263 11.4057 11.4061 11.9455 12.0805 k = 0.1796-0.2560-0.0000 ( 4080 PWs) bands (ev): -16.2168 -16.2167 -15.0511 -15.0421 -14.4181 -14.4165 -13.9256 -13.9255 -13.8561 -13.8548 -13.4471 -13.4429 -5.5648 -5.5632 -4.6472 -4.6456 -3.3187 -3.3113 -2.6433 -2.5800 -2.3951 -2.3947 -1.5050 -1.4179 -0.8225 -0.8130 0.0400 0.0567 0.2729 0.3345 1.1926 1.2355 1.4590 1.4631 2.0200 2.0526 2.1778 2.1808 2.4628 2.4845 2.5655 2.5713 2.8717 2.8830 2.8935 2.9021 3.2172 3.2242 3.4017 3.4022 7.8580 8.4649 9.5808 9.7645 10.4928 10.9221 11.3858 11.3864 11.9543 12.0948 k = 0.1718-0.2449-0.0000 ( 4084 PWs) bands (ev): -16.2335 -16.2335 -15.0489 -15.0401 -14.4152 -14.4136 -13.9192 -13.9192 -13.8495 -13.8483 -13.4411 -13.4371 -5.5399 -5.5382 -4.6544 -4.6527 -3.3352 -3.3279 -2.6573 -2.5959 -2.4125 -2.4120 -1.4962 -1.4115 -0.7934 -0.7846 0.0326 0.0486 0.2802 0.3369 1.2021 1.2444 1.4746 1.4781 2.0085 2.0480 2.1807 2.1831 2.4591 2.4842 2.5536 2.5616 2.8637 2.8702 2.8971 2.9020 3.2054 3.2116 3.3987 3.3989 7.8611 8.4594 9.5797 9.7649 10.4840 10.9136 11.3656 11.3663 11.9649 12.1089 k = 0.1640-0.2338-0.0000 ( 4082 PWs) bands (ev): -16.2497 -16.2496 -15.0469 -15.0383 -14.4128 -14.4112 -13.9130 -13.9128 -13.8427 -13.8415 -13.4352 -13.4314 -5.5158 -5.5141 -4.6601 -4.6584 -3.3515 -3.3444 -2.6707 -2.6113 -2.4312 -2.4305 -1.4859 -1.4035 -0.7627 -0.7545 0.0253 0.0407 0.2864 0.3382 1.2109 1.2522 1.4879 1.4908 1.9959 2.0412 2.1826 2.1846 2.4563 2.4843 2.5416 2.5518 2.8536 2.8570 2.9014 2.9042 3.1956 3.2010 3.3954 3.3954 7.8658 8.4538 9.5804 9.7668 10.4744 10.9009 11.3449 11.3459 11.9771 12.1227 k = 0.1562-0.2226-0.0000 ( 4084 PWs) bands (ev): -16.2653 -16.2652 -15.0450 -15.0367 -14.4109 -14.4094 -13.9068 -13.9066 -13.8357 -13.8346 -13.4294 -13.4258 -5.4928 -5.4911 -4.6644 -4.6626 -3.3676 -3.3607 -2.6834 -2.6261 -2.4508 -2.4500 -1.4740 -1.3942 -0.7305 -0.7230 0.0183 0.0332 0.2917 0.3384 1.2188 1.2586 1.4989 1.5011 1.9825 2.0324 2.1837 2.1854 2.4541 2.4841 2.5298 2.5419 2.8432 2.8446 2.9054 2.9072 3.1878 3.1924 3.3917 3.3920 7.8721 8.4479 9.5830 9.7701 10.4645 10.8846 11.3237 11.3249 11.9904 12.1359 k = 0.1484-0.2115-0.0000 ( 4082 PWs) bands (ev): -16.2803 -16.2802 -15.0433 -15.0353 -14.4095 -14.4080 -13.9008 -13.9005 -13.8287 -13.8276 -13.4237 -13.4203 -5.4708 -5.4691 -4.6673 -4.6654 -3.3832 -3.3766 -2.6954 -2.6404 -2.4712 -2.4704 -1.4609 -1.3837 -0.6974 -0.6905 0.0117 0.0262 0.2960 0.3377 1.2256 1.2635 1.5076 1.5091 1.9689 2.0221 2.1842 2.1856 2.4519 2.4825 2.5190 2.5322 2.8331 2.8333 2.9089 2.9101 3.1818 3.1855 3.3879 3.3885 7.8799 8.4419 9.5874 9.7750 10.4543 10.8651 11.3020 11.3035 12.0046 12.1484 k = 0.1406-0.2004-0.0000 ( 4085 PWs) bands (ev): -16.2946 -16.2946 -15.0417 -15.0339 -14.4085 -14.4070 -13.8949 -13.8946 -13.8215 -13.8206 -13.4182 -13.4150 -5.4500 -5.4483 -4.6686 -4.6668 -3.3984 -3.3920 -2.7068 -2.6542 -2.4922 -2.4913 -1.4466 -1.3721 -0.6636 -0.6574 0.0057 0.0198 0.2994 0.3362 1.2311 1.2666 1.5141 1.5151 1.9554 2.0107 2.1842 2.1856 2.4492 2.4781 2.5102 2.5227 2.8229 2.8242 2.9121 2.9130 3.1774 3.1804 3.3839 3.3847 7.8893 8.4357 9.5936 9.7815 10.4443 10.8429 11.2797 11.2814 12.0192 12.1601 k = 0.1328-0.1892-0.0000 ( 4085 PWs) bands (ev): -16.3083 -16.3082 -15.0402 -15.0328 -14.4078 -14.4063 -13.8892 -13.8889 -13.8144 -13.8135 -13.4128 -13.4098 -5.4306 -5.4289 -4.6685 -4.6667 -3.4132 -3.4070 -2.7177 -2.6674 -2.5136 -2.5126 -1.4313 -1.3596 -0.6294 -0.6240 0.0005 0.0141 0.3020 0.3341 1.2353 1.2677 1.5186 1.5191 1.9426 1.9985 2.1840 2.1854 2.4454 2.4698 2.5044 2.5137 2.8139 2.8163 2.9148 2.9157 3.1744 3.1768 3.3798 3.3809 7.9002 8.4292 9.6017 9.7894 10.4347 10.8185 11.2567 11.2587 12.0340 12.1708 k = 0.1250-0.1781-0.0000 ( 4085 PWs) bands (ev): -16.3213 -16.3212 -15.0389 -15.0318 -14.4074 -14.4060 -13.8837 -13.8833 -13.8074 -13.8065 -13.4077 -13.4048 -5.4125 -5.4109 -4.6670 -4.6651 -3.4273 -3.4215 -2.7279 -2.6802 -2.5351 -2.5340 -1.4151 -1.3464 -0.5953 -0.5906 -0.0039 0.0094 0.3040 0.3313 1.2379 1.2667 1.5212 1.5216 1.9306 1.9861 2.1836 2.1852 2.4400 2.4583 2.5005 2.5053 2.8065 2.8098 2.9174 2.9182 3.1726 3.1745 3.3756 3.3769 7.9125 8.4224 9.6116 9.7988 10.4257 10.7923 11.2330 11.2352 12.0488 12.1804 k = 0.1172-0.1670-0.0000 ( 4085 PWs) bands (ev): -16.3336 -16.3335 -15.0377 -15.0309 -14.4072 -14.4059 -13.8784 -13.8780 -13.8005 -13.7997 -13.4027 -13.4001 -5.3959 -5.3943 -4.6641 -4.6623 -3.4408 -3.4353 -2.7376 -2.6924 -2.5567 -2.5555 -1.3982 -1.3327 -0.5618 -0.5577 -0.0072 0.0057 0.3052 0.3282 1.2389 1.2635 1.5222 1.5226 1.9197 1.9738 2.1833 2.1851 2.4328 2.4451 2.4972 2.4977 2.8005 2.8045 2.9197 2.9206 3.1718 3.1732 3.3713 3.3728 7.9262 8.4153 9.6233 9.8096 10.4177 10.7649 11.2085 11.2110 12.0633 12.1890 k = 0.1093-0.1558-0.0000 ( 4085 PWs) bands (ev): -16.3452 -16.3451 -15.0366 -15.0302 -14.4073 -14.4060 -13.8733 -13.8728 -13.7938 -13.7930 -13.3980 -13.3956 -5.3807 -5.3792 -4.6600 -4.6582 -3.4536 -3.4485 -2.7467 -2.7042 -2.5780 -2.5767 -1.3809 -1.3187 -0.5291 -0.5257 -0.0093 0.0031 0.3060 0.3248 1.2380 1.2581 1.5217 1.5225 1.9100 1.9620 2.1831 2.1852 2.4238 2.4310 2.4907 2.4936 2.7961 2.8007 2.9218 2.9229 3.1718 3.1728 3.3670 3.3686 7.9412 8.4077 9.6368 9.8216 10.4109 10.7367 11.1833 11.1860 12.0774 12.1965 k = 0.1015-0.1447-0.0000 ( 4079 PWs) bands (ev): -16.3560 -16.3560 -15.0356 -15.0296 -14.4075 -14.4063 -13.8685 -13.8680 -13.7873 -13.7866 -13.3935 -13.3913 -5.3670 -5.3655 -4.6547 -4.6530 -3.4657 -3.4609 -2.7553 -2.7154 -2.5989 -2.5975 -1.3633 -1.3046 -0.4978 -0.4951 -0.0100 0.0019 0.3063 0.3213 1.2354 1.2507 1.5199 1.5213 1.9019 1.9509 2.1831 2.1856 2.4132 2.4165 2.4841 2.4893 2.7932 2.7982 2.9238 2.9251 3.1723 3.1730 3.3626 3.3644 7.9574 8.3995 9.6519 9.8346 10.4056 10.7081 11.1574 11.1602 12.0909 12.2030 k = 0.0937-0.1336-0.0000 ( 4085 PWs) bands (ev): -16.3661 -16.3661 -15.0347 -15.0291 -14.4079 -14.4067 -13.8639 -13.8634 -13.7811 -13.7805 -13.3893 -13.3872 -5.3548 -5.3534 -4.6485 -4.6468 -3.4771 -3.4726 -2.7633 -2.7262 -2.6191 -2.6177 -1.3457 -1.2905 -0.4682 -0.4662 -0.0092 0.0022 0.3062 0.3178 1.2309 1.2414 1.5171 1.5193 1.8952 1.9409 2.1834 2.1863 2.4016 2.4019 2.4776 2.4842 2.7916 2.7969 2.9256 2.9271 3.1733 3.1738 3.3583 3.3602 7.9746 8.3908 9.6684 9.8484 10.4018 10.6795 11.1308 11.1338 12.1038 12.2083 k = 0.0859-0.1224-0.0000 ( 4083 PWs) bands (ev): -16.3755 -16.3755 -15.0338 -15.0287 -14.4083 -14.4072 -13.8596 -13.8591 -13.7752 -13.7747 -13.3854 -13.3835 -5.3439 -5.3426 -4.6416 -4.6400 -3.4876 -3.4835 -2.7706 -2.7364 -2.6385 -2.6371 -1.3281 -1.2768 -0.4409 -0.4394 -0.0068 0.0040 0.3059 0.3143 1.2248 1.2308 1.5134 1.5164 1.8901 1.9320 2.1840 2.1873 2.3875 2.3891 2.4712 2.4784 2.7913 2.7967 2.9274 2.9289 3.1745 3.1749 3.3542 3.3561 7.9928 8.3814 9.6864 9.8627 10.3997 10.6515 11.1037 11.1067 12.1160 12.2126 k = 0.0781-0.1113-0.0000 ( 4091 PWs) bands (ev): -16.3841 -16.3841 -15.0331 -15.0283 -14.4088 -14.4078 -13.8556 -13.8552 -13.7697 -13.7692 -13.3817 -13.3800 -5.3344 -5.3332 -4.6341 -4.6326 -3.4973 -3.4936 -2.7775 -2.7462 -2.6568 -2.6554 -1.3109 -1.2636 -0.4161 -0.4151 -0.0028 0.0073 0.3053 0.3111 1.2173 1.2190 1.5091 1.5129 1.8865 1.9244 2.1850 2.1886 2.3733 2.3763 2.4646 2.4721 2.7919 2.7973 2.9289 2.9306 3.1759 3.1762 3.3501 3.3520 8.0119 8.3711 9.7056 9.8770 10.3995 10.6244 11.0762 11.0793 12.1275 12.2159 k = 0.0703-0.1002-0.0000 ( 4085 PWs) bands (ev): -16.3919 -16.3919 -15.0324 -15.0281 -14.4094 -14.4085 -13.8520 -13.8515 -13.7647 -13.7642 -13.3784 -13.3768 -5.3261 -5.3250 -4.6263 -4.6249 -3.5061 -3.5028 -2.7837 -2.7555 -2.6738 -2.6726 -1.2943 -1.2512 -0.3941 -0.3935 0.0028 0.0121 0.3046 0.3081 1.2068 1.2086 1.5043 1.5088 1.8842 1.9181 2.1864 2.1902 2.3597 2.3635 2.4581 2.4654 2.7934 2.7986 2.9304 2.9320 3.1775 3.1776 3.3462 3.3481 8.0316 8.3601 9.7259 9.8909 10.4011 10.5987 11.0487 11.0517 12.1383 12.2183 k = 0.0625-0.0890-0.0000 ( 4075 PWs) bands (ev): -16.3989 -16.3989 -15.0318 -15.0279 -14.4099 -14.4091 -13.8486 -13.8482 -13.7600 -13.7596 -13.3753 -13.3740 -5.3190 -5.3180 -4.6184 -4.6172 -3.5141 -3.5111 -2.7894 -2.7642 -2.6893 -2.6883 -1.2785 -1.2397 -0.3750 -0.3748 0.0097 0.0181 0.3038 0.3055 1.1944 1.1990 1.4993 1.5042 1.8833 1.9130 2.1881 2.1920 2.3468 2.3508 2.4516 2.4585 2.7955 2.8004 2.9317 2.9333 3.1790 3.1791 3.3426 3.3445 8.0519 8.3481 9.7470 9.9038 10.4045 10.5749 11.0215 11.0243 12.1483 12.2198 k = 0.0547-0.0779-0.0000 ( 4077 PWs) bands (ev): -16.4051 -16.4051 -15.0312 -15.0279 -14.4105 -14.4097 -13.8457 -13.8453 -13.7558 -13.7555 -13.3726 -13.3714 -5.3130 -5.3122 -4.6108 -4.6096 -3.5211 -3.5185 -2.7945 -2.7725 -2.7032 -2.7024 -1.2636 -1.2293 -0.3589 -0.3589 0.0177 0.0251 0.3029 0.3033 1.1824 1.1890 1.4942 1.4993 1.8834 1.9090 2.1901 2.1941 2.3346 2.3387 2.4454 2.4517 2.7979 2.8024 2.9328 2.9344 3.1805 3.1805 3.3393 3.3410 8.0727 8.3352 9.7686 9.9151 10.4097 10.5532 10.9950 10.9975 12.1576 12.2204 k = 0.0469-0.0668-0.0000 ( 4073 PWs) bands (ev): -16.4105 -16.4105 -15.0307 -15.0278 -14.4110 -14.4103 -13.8431 -13.8427 -13.7522 -13.7519 -13.3702 -13.3692 -5.3080 -5.3073 -4.6035 -4.6026 -3.5272 -3.5250 -2.7989 -2.7802 -2.7153 -2.7148 -1.2499 -1.2202 -0.3458 -0.3456 0.0262 0.0325 0.3016 0.3021 1.1712 1.1789 1.4894 1.4943 1.8843 1.9060 2.1924 2.1963 2.3234 2.3272 2.4396 2.4452 2.8004 2.8044 2.9338 2.9353 3.1819 3.1819 3.3363 3.3379 8.0938 8.3213 9.7905 9.9240 10.4163 10.5342 10.9697 10.9719 12.1663 12.2202 k = 0.0391-0.0557-0.0000 ( 4077 PWs) bands (ev): -16.4151 -16.4151 -15.0303 -15.0278 -14.4114 -14.4109 -13.8408 -13.8406 -13.7490 -13.7488 -13.3682 -13.3673 -5.3040 -5.3034 -4.5970 -4.5962 -3.5324 -3.5305 -2.8027 -2.7873 -2.7256 -2.7253 -1.2376 -1.2127 -0.3352 -0.3350 0.0348 0.0400 0.3002 0.3013 1.1612 1.1692 1.4849 1.4895 1.8859 1.9037 2.1948 2.1985 2.3134 2.3167 2.4344 2.4392 2.8030 2.8064 2.9346 2.9359 3.1831 3.1831 3.3337 3.3351 8.1150 8.3064 9.8123 9.9301 10.4241 10.5178 10.9462 10.9481 12.1742 12.2193 k = 0.0312-0.0445-0.0000 ( 4079 PWs) bands (ev): -16.4188 -16.4188 -15.0299 -15.0279 -14.4118 -14.4114 -13.8390 -13.8388 -13.7464 -13.7462 -13.3665 -13.3658 -5.3008 -5.3003 -4.5913 -4.5906 -3.5366 -3.5351 -2.8058 -2.7936 -2.7340 -2.7339 -1.2268 -1.2067 -0.3270 -0.3268 0.0428 0.0469 0.2993 0.3006 1.1529 1.1603 1.4811 1.4851 1.8878 1.9019 2.1974 2.2007 2.3047 2.3074 2.4299 2.4339 2.8053 2.8081 2.9353 2.9364 3.1841 3.1842 3.3316 3.3327 8.1362 8.2906 9.8336 9.9327 10.4326 10.5042 10.9254 10.9269 12.1815 12.2176 k = 0.0234-0.0334-0.0000 ( 4073 PWs) bands (ev): -16.4218 -16.4218 -15.0295 -15.0280 -14.4121 -14.4118 -13.8375 -13.8374 -13.7443 -13.7442 -13.3651 -13.3646 -5.2983 -5.2979 -4.5867 -4.5862 -3.5399 -3.5387 -2.8081 -2.7990 -2.7405 -2.7404 -1.2177 -1.2026 -0.3209 -0.3208 0.0497 0.0528 0.2987 0.2999 1.1463 1.1526 1.4780 1.4812 1.8900 1.9004 2.1999 2.2026 2.2976 2.2996 2.4265 2.4294 2.8074 2.8095 2.9359 2.9368 3.1850 3.1850 3.3299 3.3308 8.1573 8.2738 9.8542 9.9316 10.4416 10.4929 10.9080 10.9091 12.1882 12.2153 k = 0.0156-0.0223-0.0000 ( 4075 PWs) bands (ev): -16.4239 -16.4238 -15.0292 -15.0282 -14.4123 -14.4121 -13.8365 -13.8364 -13.7429 -13.7428 -13.3641 -13.3638 -5.2965 -5.2963 -4.5832 -4.5829 -3.5421 -3.5414 -2.8094 -2.8034 -2.7452 -2.7451 -1.2104 -1.2002 -0.3168 -0.3166 0.0552 0.0572 0.2985 0.2994 1.1419 1.1464 1.4759 1.4781 1.8921 1.8991 2.2021 2.2040 2.2923 2.2936 2.4240 2.4260 2.8090 2.8105 2.9363 2.9369 3.1856 3.1856 3.3287 3.3293 8.1781 8.2561 9.8734 9.9266 10.4505 10.4834 10.8948 10.8955 12.1942 12.2123 k = 0.0078-0.0111-0.0000 ( 4077 PWs) bands (ev): -16.4251 -16.4251 -15.0289 -15.0284 -14.4124 -14.4123 -13.8358 -13.8358 -13.7420 -13.7419 -13.3635 -13.3633 -5.2955 -5.2954 -4.5811 -4.5809 -3.5434 -3.5430 -2.8097 -2.8067 -2.7479 -2.7478 -1.2049 -1.1998 -0.3143 -0.3143 0.0588 0.0597 0.2985 0.2990 1.1397 1.1420 1.4748 1.4759 1.8942 1.8976 2.2038 2.2048 2.2891 2.2897 2.4227 2.4237 2.8102 2.8109 2.9367 2.9370 3.1860 3.1860 3.3281 3.3284 8.1985 8.2376 9.8907 9.9178 10.4590 10.4751 10.8867 10.8870 12.1996 12.2087 k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -16.4255 -16.4255 -15.0286 -15.0286 -14.4124 -14.4124 -13.8356 -13.8356 -13.7416 -13.7416 -13.3632 -13.3632 -5.2951 -5.2951 -4.5803 -4.5803 -3.5437 -3.5437 -2.8088 -2.8088 -2.7488 -2.7488 -1.2014 -1.2014 -0.3135 -0.3135 0.0603 0.0603 0.2986 0.2986 1.1398 1.1398 1.4748 1.4748 1.8960 1.8960 2.2047 2.2047 2.2882 2.2882 2.4226 2.4226 2.8108 2.8108 2.9369 2.9369 3.1861 3.1861 3.3280 3.3280 8.2183 8.2183 9.9057 9.9057 10.4671 10.4671 10.8840 10.8840 12.2045 12.2045 k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -16.4255 -16.4255 -15.0286 -15.0286 -14.4124 -14.4124 -13.8356 -13.8356 -13.7416 -13.7416 -13.3632 -13.3632 -5.2951 -5.2951 -4.5803 -4.5803 -3.5437 -3.5437 -2.8088 -2.8088 -2.7488 -2.7488 -1.2014 -1.2014 -0.3135 -0.3135 0.0603 0.0603 0.2986 0.2986 1.1398 1.1398 1.4748 1.4748 1.8960 1.8960 2.2047 2.2047 2.2882 2.2882 2.4226 2.4226 2.8108 2.8108 2.9369 2.9369 3.1861 3.1861 3.3280 3.3280 8.2183 8.2183 9.9057 9.9057 10.4671 10.4671 10.8840 10.8840 12.2045 12.2045 k = 0.0128-0.0046-0.0022 ( 4079 PWs) bands (ev): -16.4251 -16.4250 -15.0289 -15.0283 -14.4125 -14.4121 -13.8361 -13.8360 -13.7420 -13.7416 -13.3638 -13.3632 -5.2954 -5.2951 -4.5817 -4.5815 -3.5432 -3.5427 -2.8112 -2.8040 -2.7504 -2.7451 -1.2062 -1.1982 -0.3149 -0.3141 0.0487 0.0694 0.2944 0.3036 1.1362 1.1447 1.4658 1.4847 1.8903 1.8946 2.2028 2.2117 2.2891 2.2906 2.4227 2.4236 2.8101 2.8108 2.9369 2.9373 3.1859 3.1860 3.3279 3.3282 8.2002 8.2359 9.8914 9.9177 10.4566 10.4768 10.8781 10.8956 12.1979 12.2111 k = 0.0256-0.0093-0.0044 ( 4076 PWs) bands (ev): -16.4237 -16.4235 -15.0291 -15.0280 -14.4125 -14.4116 -13.8374 -13.8372 -13.7427 -13.7418 -13.3650 -13.3638 -5.2960 -5.2953 -4.5858 -4.5854 -3.5411 -3.5401 -2.8115 -2.7973 -2.7497 -2.7393 -1.2125 -1.1967 -0.3184 -0.3166 0.0353 0.0755 0.2911 0.3089 1.1342 1.1506 1.4582 1.4953 1.8785 1.8863 2.2064 2.2219 2.2930 2.2969 2.4240 2.4259 2.8085 2.8100 2.9373 2.9380 3.1852 3.1855 3.3280 3.3286 8.1815 8.2527 9.8747 9.9273 10.4458 10.4852 10.8786 10.9121 12.1915 12.2178 k = 0.0385-0.0139-0.0066 ( 4076 PWs) bands (ev): -16.4213 -16.4210 -15.0294 -15.0277 -14.4123 -14.4110 -13.8395 -13.8392 -13.7437 -13.7423 -13.3668 -13.3649 -5.2969 -5.2958 -4.5925 -4.5917 -3.5374 -3.5360 -2.8100 -2.7899 -2.7457 -2.7310 -1.2204 -1.1968 -0.3241 -0.3209 0.0209 0.0783 0.2893 0.3141 1.1333 1.1567 1.4524 1.5062 1.8617 1.8725 2.2144 2.2329 2.2995 2.3081 2.4265 2.4297 2.8062 2.8085 2.9381 2.9392 3.1841 3.1846 3.3283 3.3291 8.1623 8.2689 9.8558 9.9345 10.4355 10.4923 10.8856 10.9325 12.1853 12.2243 k = 0.0513-0.0186-0.0088 ( 4076 PWs) bands (ev): -16.4179 -16.4176 -15.0296 -15.0275 -14.4120 -14.4102 -13.8424 -13.8421 -13.7448 -13.7430 -13.3692 -13.3667 -5.2982 -5.2968 -4.6014 -4.6003 -3.5323 -3.5303 -2.8074 -2.7833 -2.7371 -2.7197 -1.2297 -1.1985 -0.3321 -0.3270 0.0061 0.0779 0.2889 0.3191 1.1333 1.1623 1.4490 1.5173 1.8413 1.8550 2.2252 2.2433 2.3084 2.3237 2.4307 2.4355 2.8032 2.8062 2.9393 2.9408 3.1825 3.1831 3.3288 3.3299 8.1428 8.2843 9.8348 9.9394 10.4263 10.4985 10.8988 10.9559 12.1793 12.2307 k = 0.0641-0.0232-0.0109 ( 4077 PWs) bands (ev): -16.4136 -16.4132 -15.0298 -15.0271 -14.4115 -14.4093 -13.8462 -13.8459 -13.7462 -13.7440 -13.3720 -13.3690 -5.3000 -5.2982 -4.6123 -4.6108 -3.5255 -3.5229 -2.8041 -2.7787 -2.7231 -2.7052 -1.2403 -1.2018 -0.3425 -0.3348 -0.0082 0.0746 0.2898 0.3238 1.1335 1.1660 1.4486 1.5283 1.8184 1.8357 2.2368 2.2528 2.3192 2.3422 2.4369 2.4441 2.7996 2.8032 2.9409 2.9428 3.1804 3.1812 3.3296 3.3310 8.1230 8.2989 9.8120 9.9422 10.4185 10.5045 10.9174 10.9814 12.1735 12.2366 k = 0.0769-0.0278-0.0131 ( 4074 PWs) bands (ev): -16.4084 -16.4079 -15.0300 -15.0269 -14.4110 -14.4084 -13.8509 -13.8505 -13.7476 -13.7452 -13.3754 -13.3718 -5.3025 -5.3003 -4.6248 -4.6229 -3.5172 -3.5139 -2.8007 -2.7757 -2.7046 -2.6874 -1.2521 -1.2065 -0.3551 -0.3440 -0.0215 0.0690 0.2918 0.3279 1.1333 1.1670 1.4516 1.5389 1.7943 1.8162 2.2478 2.2622 2.3313 2.3609 2.4459 2.4565 2.7955 2.7996 2.9430 2.9452 3.1777 3.1787 3.3307 3.3324 8.1030 8.3128 9.7876 9.9430 10.4126 10.5113 10.9405 11.0084 12.1677 12.2420 k = 0.0897-0.0325-0.0153 ( 4078 PWs) bands (ev): -16.4022 -16.4016 -15.0302 -15.0266 -14.4104 -14.4074 -13.8564 -13.8559 -13.7492 -13.7465 -13.3793 -13.3751 -5.3059 -5.3033 -4.6385 -4.6360 -3.5073 -3.5032 -2.7974 -2.7736 -2.6827 -2.6663 -1.2649 -1.2124 -0.3698 -0.3547 -0.0334 0.0618 0.2945 0.3315 1.1318 1.1646 1.4577 1.5489 1.7702 1.7975 2.2576 2.2719 2.3436 2.3773 2.4583 2.4738 2.7911 2.7956 2.9454 2.9481 3.1745 3.1756 3.3322 3.3342 8.0831 8.3259 9.7620 9.9420 10.4085 10.5195 10.9671 11.0364 12.1621 12.2468 k = 0.1026-0.0371-0.0175 ( 4079 PWs) bands (ev): -16.3951 -16.3945 -15.0305 -15.0263 -14.4099 -14.4065 -13.8628 -13.8621 -13.7507 -13.7478 -13.3837 -13.3789 -5.3102 -5.3072 -4.6530 -4.6499 -3.4959 -3.4909 -2.7942 -2.7719 -2.6584 -2.6425 -1.2783 -1.2196 -0.3863 -0.3667 -0.0438 0.0538 0.2976 0.3346 1.1281 1.1588 1.4662 1.5578 1.7469 1.7805 2.2662 2.2818 2.3551 2.3904 2.4744 2.4958 2.7867 2.7914 2.9481 2.9514 3.1707 3.1721 3.3341 3.3364 8.0633 8.3382 9.7355 9.9395 10.4065 10.5298 10.9962 11.0648 12.1563 12.2508 k = 0.1154-0.0417-0.0197 ( 4082 PWs) bands (ev): -16.3872 -16.3864 -15.0307 -15.0261 -14.4094 -14.4056 -13.8699 -13.8691 -13.7522 -13.7492 -13.3885 -13.3832 -5.3158 -5.3123 -4.6679 -4.6641 -3.4829 -3.4770 -2.7912 -2.7704 -2.6325 -2.6164 -1.2923 -1.2276 -0.4042 -0.3798 -0.0525 0.0454 0.3006 0.3371 1.1212 1.1503 1.4757 1.5655 1.7258 1.7661 2.2743 2.2916 2.3651 2.4005 2.4939 2.5212 2.7830 2.7875 2.9511 2.9551 3.1665 3.1681 3.3364 3.3390 8.0438 8.3498 9.7084 9.9357 10.4065 10.5423 11.0271 11.0935 12.1505 12.2539 k = 0.1282-0.0464-0.0219 ( 4079 PWs) bands (ev): -16.3784 -16.3775 -15.0310 -15.0259 -14.4090 -14.4049 -13.8778 -13.8766 -13.7537 -13.7506 -13.3937 -13.3879 -5.3227 -5.3188 -4.6826 -4.6781 -3.4685 -3.4615 -2.7882 -2.7687 -2.6054 -2.5887 -1.3063 -1.2362 -0.4230 -0.3937 -0.0596 0.0371 0.3035 0.3391 1.1102 1.1400 1.4844 1.5719 1.7075 1.7547 2.2820 2.3010 2.3737 2.4085 2.5156 2.5476 2.7805 2.7846 2.9544 2.9591 3.1620 3.1639 3.3392 3.3420 8.0249 8.3606 9.6812 9.9309 10.4086 10.5572 11.0591 11.1223 12.1444 12.2561 k = 0.1410-0.0510-0.0241 ( 4082 PWs) bands (ev): -16.3687 -16.3678 -15.0313 -15.0258 -14.4089 -14.4044 -13.8863 -13.8848 -13.7552 -13.7520 -13.3993 -13.3930 -5.3312 -5.3268 -4.6968 -4.6915 -3.4527 -3.4445 -2.7853 -2.7670 -2.5777 -2.5602 -1.3201 -1.2451 -0.4423 -0.4083 -0.0653 0.0291 0.3060 0.3405 1.0948 1.1283 1.4903 1.5770 1.6932 1.7468 2.2896 2.3099 2.3811 2.4153 2.5380 2.5725 2.7800 2.7845 2.9579 2.9635 3.1574 3.1597 3.3423 3.3454 8.0067 8.3706 9.6541 9.9254 10.4127 10.5744 11.0919 11.1509 12.1380 12.2573 k = 0.1538-0.0557-0.0263 ( 4083 PWs) bands (ev): -16.3582 -16.3572 -15.0317 -15.0257 -14.4090 -14.4042 -13.8952 -13.8934 -13.7565 -13.7534 -13.4052 -13.3985 -5.3413 -5.3365 -4.7101 -4.7041 -3.4355 -3.4260 -2.7823 -2.7650 -2.5498 -2.5314 -1.3331 -1.2539 -0.4616 -0.4234 -0.0697 0.0217 0.3078 0.3414 1.0757 1.1150 1.4922 1.5804 1.6838 1.7420 2.2970 2.3184 2.3874 2.4212 2.5591 2.5931 2.7822 2.7897 2.9615 2.9683 3.1529 3.1558 3.3459 3.3491 7.9893 8.3798 9.6275 9.9194 10.4187 10.5935 11.1249 11.1794 12.1312 12.2576 k = 0.1667-0.0603-0.0285 ( 4084 PWs) bands (ev): -16.3470 -16.3459 -15.0321 -15.0257 -14.4095 -14.4043 -13.9045 -13.9023 -13.7579 -13.7547 -13.4114 -13.4043 -5.3531 -5.3478 -4.7222 -4.7156 -3.4171 -3.4063 -2.7792 -2.7628 -2.5223 -2.5031 -1.3450 -1.2620 -0.4806 -0.4386 -0.0731 0.0150 0.3089 0.3418 1.0537 1.0997 1.4902 1.5809 1.6800 1.7398 2.3044 2.3263 2.3929 2.4264 2.5765 2.6069 2.7887 2.8020 2.9652 2.9734 3.1489 3.1525 3.3498 3.3532 7.9730 8.3882 9.6017 9.9130 10.4265 10.6145 11.1580 11.2076 12.1240 12.2570 k = 0.1795-0.0649-0.0307 ( 4081 PWs) bands (ev): -16.3350 -16.3339 -15.0326 -15.0258 -14.4104 -14.4050 -13.9140 -13.9115 -13.7591 -13.7559 -13.4179 -13.4104 -5.3666 -5.3609 -4.7330 -4.7258 -3.3976 -3.3854 -2.7759 -2.7602 -2.4957 -2.4758 -1.3552 -1.2691 -0.4989 -0.4539 -0.0757 0.0089 0.3091 0.3417 1.0297 1.0821 1.4855 1.5779 1.6815 1.7393 2.3115 2.3337 2.3976 2.4310 2.5883 2.6128 2.8014 2.8216 2.9690 2.9789 3.1456 3.1504 3.3541 3.3576 7.9579 8.3957 9.5768 9.9063 10.4358 10.6368 11.1908 11.2356 12.1164 12.2554 k = 0.1923-0.0696-0.0328 ( 4080 PWs) bands (ev): -16.3224 -16.3212 -15.0333 -15.0261 -14.4118 -14.4062 -13.9235 -13.9206 -13.7603 -13.7571 -13.4246 -13.4167 -5.3818 -5.3757 -4.7423 -4.7345 -3.3772 -3.3635 -2.7723 -2.7573 -2.4706 -2.4499 -1.3632 -1.2746 -0.5164 -0.4690 -0.0777 0.0034 0.3084 0.3412 1.0043 1.0623 1.4793 1.5718 1.6865 1.7394 2.3187 2.3406 2.4016 2.4348 2.5937 2.6118 2.8208 2.8466 2.9729 2.9852 3.1434 3.1501 3.3588 3.3624 7.9442 8.4024 9.5531 9.8995 10.4466 10.6603 11.2231 11.2634 12.1083 12.2530 k = 0.2051-0.0742-0.0350 ( 4083 PWs) bands (ev): -16.3091 -16.3079 -15.0340 -15.0265 -14.4139 -14.4081 -13.9329 -13.9297 -13.7614 -13.7582 -13.4315 -13.4233 -5.3985 -5.3920 -4.7500 -4.7417 -3.3561 -3.3409 -2.7684 -2.7540 -2.4473 -2.4261 -1.3685 -1.2780 -0.5328 -0.4837 -0.0793 -0.0015 0.3066 0.3403 0.9780 1.0404 1.4726 1.5637 1.6929 1.7393 2.3257 2.3469 2.4046 2.4376 2.5932 2.6058 2.8456 2.8740 2.9770 2.9927 3.1428 3.1521 3.3638 3.3675 7.9320 8.4081 9.5307 9.8926 10.4585 10.6844 11.2550 11.2910 12.0998 12.2497 k = 0.2179-0.0788-0.0372 ( 4085 PWs) bands (ev): -16.2952 -16.2939 -15.0348 -15.0270 -14.4167 -14.4107 -13.9419 -13.9384 -13.7625 -13.7593 -13.4385 -13.4301 -5.4166 -5.4098 -4.7562 -4.7475 -3.3344 -3.3178 -2.7641 -2.7502 -2.4263 -2.4045 -1.3706 -1.2789 -0.5480 -0.4980 -0.0806 -0.0059 0.3038 0.3391 0.9511 1.0169 1.4661 1.5545 1.6988 1.7385 2.3327 2.3526 2.4067 2.4392 2.5882 2.5968 2.8734 2.9004 2.9817 3.0023 3.1440 3.1574 3.3692 3.3730 7.9214 8.4128 9.5098 9.8855 10.4714 10.7088 11.2862 11.3185 12.0909 12.2456 k = 0.2308-0.0835-0.0394 ( 4085 PWs) bands (ev): -16.2808 -16.2795 -15.0359 -15.0278 -14.4202 -14.4141 -13.9505 -13.9468 -13.7635 -13.7603 -13.4457 -13.4371 -5.4358 -5.4287 -4.7609 -4.7520 -3.3125 -3.2945 -2.7592 -2.7458 -2.4078 -2.3856 -1.3692 -1.2768 -0.5620 -0.5118 -0.0819 -0.0099 0.2999 0.3376 0.9241 0.9921 1.4601 1.5449 1.7026 1.7367 2.3396 2.3572 2.4077 2.4394 2.5799 2.5868 2.9007 2.9233 2.9883 3.0148 3.1476 3.1668 3.3751 3.3791 7.9126 8.4165 9.4907 9.8783 10.4851 10.7332 11.3166 11.3457 12.0817 12.2407 k = 0.2436-0.0881-0.0416 ( 4089 PWs) bands (ev): -16.2660 -16.2646 -15.0370 -15.0287 -14.4245 -14.4183 -13.9584 -13.9545 -13.7644 -13.7612 -13.4530 -13.4442 -5.4560 -5.4486 -4.7643 -4.7552 -3.2906 -3.2713 -2.7538 -2.7409 -2.3920 -2.3693 -1.3640 -1.2716 -0.5748 -0.5250 -0.0832 -0.0135 0.2950 0.3358 0.8973 0.9664 1.4547 1.5352 1.7033 1.7339 2.3465 2.3602 2.4078 2.4382 2.5695 2.5772 2.9230 2.9411 2.9989 3.0300 3.1543 3.1813 3.3815 3.3859 7.9056 8.4189 9.4733 9.8709 10.4993 10.7571 11.3461 11.3726 12.0722 12.2349 k = 0.2564-0.0928-0.0438 ( 4090 PWs) bands (ev): -16.2507 -16.2493 -15.0384 -15.0299 -14.4297 -14.4234 -13.9657 -13.9616 -13.7654 -13.7622 -13.4603 -13.4513 -5.4768 -5.4693 -4.7665 -4.7573 -3.2691 -3.2486 -2.7476 -2.7353 -2.3790 -2.3557 -1.3548 -1.2631 -0.5864 -0.5375 -0.0847 -0.0169 0.2892 0.3336 0.8708 0.9401 1.4498 1.5256 1.7000 1.7303 2.3529 2.3607 2.4072 2.4360 2.5585 2.5684 2.9373 2.9532 3.0157 3.0461 3.1648 3.2011 3.3887 3.3937 7.9005 8.4201 9.4578 9.8632 10.5140 10.7802 11.3748 11.3992 12.0628 12.2284 k = 0.2692-0.0974-0.0460 ( 4087 PWs) bands (ev): -16.2351 -16.2337 -15.0400 -15.0313 -14.4356 -14.4294 -13.9720 -13.9679 -13.7662 -13.7630 -13.4676 -13.4586 -5.4980 -5.4903 -4.7677 -4.7584 -3.2482 -3.2266 -2.7408 -2.7290 -2.3686 -2.3447 -1.3417 -1.2513 -0.5967 -0.5495 -0.0865 -0.0200 0.2826 0.3310 0.8450 0.9138 1.4454 1.5163 1.6926 1.7255 2.3576 2.3591 2.4057 2.4340 2.5482 2.5607 2.9454 2.9601 3.0362 3.0610 3.1801 3.2254 3.3967 3.4031 7.8974 8.4199 9.4443 9.8551 10.5289 10.8021 11.4025 11.4254 12.0533 12.2210 k = 0.2821-0.1020-0.0482 ( 4087 PWs) bands (ev): -16.2193 -16.2179 -15.0417 -15.0329 -14.4424 -14.4361 -13.9775 -13.9734 -13.7671 -13.7638 -13.4749 -13.4658 -5.5193 -5.5116 -4.7679 -4.7587 -3.2284 -3.2059 -2.7333 -2.7220 -2.3604 -2.3359 -1.3248 -1.2364 -0.6059 -0.5608 -0.0886 -0.0231 0.2754 0.3280 0.8201 0.8876 1.4412 1.5072 1.6815 1.7194 2.3517 2.3624 2.4034 2.4338 2.5393 2.5541 2.9501 2.9637 3.0560 3.0741 3.2004 3.2522 3.4060 3.4147 7.8962 8.4183 9.4330 9.8465 10.5440 10.8225 11.4292 11.4511 12.0439 12.2129 k = 0.2949-0.1067-0.0504 ( 4092 PWs) bands (ev): -16.2034 -16.2020 -15.0437 -15.0348 -14.4499 -14.4437 -13.9821 -13.9780 -13.7679 -13.7646 -13.4821 -13.4730 -5.5405 -5.5328 -4.7675 -4.7584 -3.2097 -3.1867 -2.7251 -2.7143 -2.3540 -2.3289 -1.3045 -1.2187 -0.6140 -0.5715 -0.0911 -0.0262 0.2677 0.3246 0.7962 0.8619 1.4369 1.4985 1.6671 1.7115 2.3425 2.3618 2.4019 2.4362 2.5319 2.5486 2.9529 2.9656 3.0724 3.0854 3.2250 3.2791 3.4169 3.4295 7.8970 8.4149 9.4239 9.8373 10.5590 10.8409 11.4548 11.4760 12.0348 12.2039 k = 0.3077-0.1113-0.0525 ( 4088 PWs) bands (ev): -16.1875 -16.1860 -15.0459 -15.0370 -14.4580 -14.4518 -13.9857 -13.9817 -13.7686 -13.7654 -13.4892 -13.4802 -5.5614 -5.5537 -4.7665 -4.7576 -3.1926 -3.1692 -2.7162 -2.7061 -2.3490 -2.3234 -1.2811 -1.1986 -0.6210 -0.5816 -0.0938 -0.0292 0.2595 0.3207 0.7736 0.8370 1.4324 1.4901 1.6500 1.7016 2.3311 2.3554 2.4037 2.4407 2.5258 2.5441 2.9548 2.9667 3.0853 3.0953 3.2518 3.3037 3.4303 3.4484 7.8999 8.4099 9.4171 9.8275 10.5740 10.8571 11.4794 11.5003 12.0261 12.1943 k = 0.3205-0.1160-0.0547 ( 4093 PWs) bands (ev): -16.1716 -16.1701 -15.0483 -15.0395 -14.4666 -14.4605 -13.9885 -13.9845 -13.7693 -13.7661 -13.4961 -13.4873 -5.5817 -5.5742 -4.7650 -4.7563 -3.1772 -3.1538 -2.7069 -2.6973 -2.3447 -2.3187 -1.2551 -1.1766 -0.6272 -0.5911 -0.0967 -0.0324 0.2510 0.3162 0.7523 0.8131 1.4271 1.4819 1.6310 1.6901 2.3183 2.3446 2.4084 2.4463 2.5208 2.5403 2.9561 2.9673 3.0956 3.1039 3.2783 3.3245 3.4467 3.4716 7.9047 8.4030 9.4127 9.8168 10.5889 10.8709 11.5028 11.5237 12.0177 12.1838 k = 0.3333-0.1206-0.0569 ( 4091 PWs) bands (ev): -16.1559 -16.1544 -15.0510 -15.0423 -14.4755 -14.4696 -13.9904 -13.9865 -13.7700 -13.7668 -13.5029 -13.4942 -5.6013 -5.5940 -4.7631 -4.7548 -3.1637 -3.1405 -2.6974 -2.6883 -2.3406 -2.3145 -1.2272 -1.1532 -0.6327 -0.6002 -0.0996 -0.0356 0.2424 0.3112 0.7325 0.7903 1.4208 1.4738 1.6109 1.6770 2.3050 2.3316 2.4145 2.4526 2.5167 2.5371 2.9571 2.9677 3.1040 3.1115 3.3024 3.3411 3.4668 3.4987 7.9115 8.3943 9.4108 9.8053 10.6036 10.8820 11.5251 11.5464 12.0099 12.1727 k = 0.3462-0.1252-0.0591 ( 4090 PWs) bands (ev): -16.1405 -16.1391 -15.0538 -15.0453 -14.4846 -14.4788 -13.9915 -13.9879 -13.7706 -13.7675 -13.5093 -13.5009 -5.6200 -5.6130 -4.7611 -4.7531 -3.1520 -3.1295 -2.6880 -2.6794 -2.3363 -2.3103 -1.1978 -1.1289 -0.6376 -0.6087 -0.1024 -0.0388 0.2337 0.3054 0.7143 0.7688 1.4133 1.4653 1.5905 1.6629 2.2917 2.3178 2.4212 2.4590 2.5131 2.5344 2.9580 2.9680 3.1111 3.1180 3.3229 3.3541 3.4906 3.5282 7.9202 8.3837 9.4113 9.7929 10.6183 10.8902 11.5462 11.5681 12.0025 12.1609 k = 0.3590-0.1299-0.0613 ( 4086 PWs) bands (ev): -16.1255 -16.1242 -15.0567 -15.0485 -14.4936 -14.4881 -13.9920 -13.9885 -13.7712 -13.7681 -13.5155 -13.5074 -5.6377 -5.6310 -4.7588 -4.7514 -3.1422 -3.1206 -2.6789 -2.6707 -2.3313 -2.3057 -1.1675 -1.1042 -0.6422 -0.6167 -0.1049 -0.0420 0.2251 0.2990 0.6979 0.7488 1.4044 1.4557 1.5713 1.6481 2.2789 2.3041 2.4280 2.4654 2.5101 2.5320 2.9589 2.9683 3.1173 3.1237 3.3396 3.3644 3.5175 3.5587 7.9307 8.3711 9.4143 9.7795 10.6328 10.8956 11.5660 11.5889 11.9957 12.1484 k = 0.3718-0.1345-0.0635 ( 4092 PWs) bands (ev): -16.1112 -16.1099 -15.0597 -15.0519 -14.5025 -14.4972 -13.9920 -13.9887 -13.7717 -13.7688 -13.5213 -13.5136 -5.6542 -5.6478 -4.7565 -4.7496 -3.1341 -3.1136 -2.6704 -2.6626 -2.3253 -2.3005 -1.1370 -1.0796 -0.6468 -0.6240 -0.1067 -0.0450 0.2165 0.2917 0.6833 0.7304 1.3942 1.4441 1.5545 1.6332 2.2670 2.2908 2.4346 2.4714 2.5073 2.5298 2.9597 2.9686 3.1227 3.1286 3.3530 3.3727 3.5462 3.5888 7.9431 8.3567 9.4197 9.7651 10.6473 10.8979 11.5847 11.6087 11.9896 12.1354 k = 0.3846-0.1391-0.0657 ( 4093 PWs) bands (ev): -16.0975 -16.0963 -15.0628 -15.0555 -14.5110 -14.5060 -13.9915 -13.9885 -13.7721 -13.7694 -13.5267 -13.5195 -5.6694 -5.6635 -4.7542 -4.7478 -3.1275 -3.1085 -2.6627 -2.6553 -2.3183 -2.2948 -1.1067 -1.0555 -0.6517 -0.6306 -0.1078 -0.0478 0.2082 0.2835 0.6706 0.7136 1.3829 1.4299 1.5413 1.6187 2.2561 2.2784 2.4410 2.4770 2.5050 2.5278 2.9607 2.9689 3.1274 3.1327 3.3638 3.3797 3.5755 3.6177 7.9572 8.3405 9.4275 9.7496 10.6618 10.8974 11.6022 11.6275 11.9842 12.1219 k = 0.3974-0.1438-0.0679 ( 4089 PWs) bands (ev): -16.0848 -16.0836 -15.0659 -15.0591 -14.5190 -14.5144 -13.9906 -13.9879 -13.7725 -13.7699 -13.5317 -13.5250 -5.6831 -5.6778 -4.7520 -4.7462 -3.1224 -3.1050 -2.6559 -2.6490 -2.3104 -2.2885 -1.0774 -1.0323 -0.6570 -0.6365 -0.1079 -0.0502 0.2003 0.2744 0.6598 0.6985 1.3707 1.4131 1.5320 1.6049 2.2464 2.2670 2.4469 2.4819 2.5030 2.5260 2.9616 2.9692 3.1315 3.1363 3.3726 3.3855 3.6042 3.6445 7.9729 8.3226 9.4375 9.7332 10.6763 10.8942 11.6187 11.6450 11.9795 12.1080 k = 0.4103-0.1484-0.0701 ( 4090 PWs) bands (ev): -16.0731 -16.0720 -15.0688 -15.0626 -14.5263 -14.5221 -13.9896 -13.9871 -13.7729 -13.7705 -13.5361 -13.5301 -5.6954 -5.6906 -4.7498 -4.7446 -3.1184 -3.1028 -2.6501 -2.6438 -2.3018 -2.2819 -1.0495 -1.0105 -0.6627 -0.6419 -0.1069 -0.0523 0.1930 0.2644 0.6509 0.6850 1.3582 1.3948 1.5262 1.5921 2.2381 2.2566 2.4524 2.4856 2.5019 2.5243 2.9627 2.9695 3.1350 3.1393 3.3799 3.3905 3.6316 3.6688 7.9901 8.3033 9.4496 9.7158 10.6911 10.8883 11.6341 11.6609 11.9759 12.0937 k = 0.4231-0.1531-0.0722 ( 4088 PWs) bands (ev): -16.0625 -16.0616 -15.0715 -15.0661 -14.5328 -14.5291 -13.9884 -13.9862 -13.7731 -13.7710 -13.5400 -13.5347 -5.7062 -5.7020 -4.7478 -4.7433 -3.1153 -3.1017 -2.6452 -2.6397 -2.2929 -2.2753 -1.0236 -0.9903 -0.6684 -0.6471 -0.1047 -0.0541 0.1866 0.2536 0.6438 0.6733 1.3457 1.3761 1.5232 1.5805 2.2310 2.2474 2.4574 2.4877 2.5020 2.5228 2.9637 2.9697 3.1380 3.1417 3.3860 3.3946 3.6568 3.6902 8.0088 8.2825 9.4636 9.6974 10.7060 10.8802 11.6484 11.6751 11.9736 12.0792 k = 0.4359-0.1577-0.0744 ( 4088 PWs) bands (ev): -16.0533 -16.0525 -15.0739 -15.0693 -14.5385 -14.5353 -13.9872 -13.9854 -13.7733 -13.7715 -13.5433 -13.5387 -5.7153 -5.7118 -4.7460 -4.7422 -3.1129 -3.1014 -2.6413 -2.6365 -2.2841 -2.2690 -1.0002 -0.9723 -0.6737 -0.6524 -0.1014 -0.0558 0.1815 0.2423 0.6385 0.6632 1.3340 1.3582 1.5221 1.5701 2.2254 2.2393 2.4618 2.4878 2.5035 2.5215 2.9647 2.9698 3.1405 3.1436 3.3911 3.3980 3.6795 3.7082 8.0287 8.2607 9.4793 9.6782 10.7212 10.8701 11.6616 11.6871 11.9727 12.0646 k = 0.4487-0.1623-0.0766 ( 4093 PWs) bands (ev): -16.0455 -16.0449 -15.0760 -15.0722 -14.5431 -14.5406 -13.9861 -13.9846 -13.7734 -13.7719 -13.5459 -13.5422 -5.7228 -5.7199 -4.7444 -4.7413 -3.1110 -3.1017 -2.6381 -2.6343 -2.2758 -2.2636 -0.9798 -0.9569 -0.6780 -0.6579 -0.0969 -0.0578 0.1782 0.2306 0.6349 0.6546 1.3237 1.3421 1.5226 1.5609 2.2210 2.2324 2.4659 2.4868 2.5059 2.5202 2.9657 2.9698 3.1426 3.1450 3.3953 3.4006 3.6991 3.7227 8.0498 8.2379 9.4964 9.6583 10.7367 10.8582 11.6736 11.6965 11.9737 12.0502 k = 0.4615-0.1670-0.0788 ( 4092 PWs) bands (ev): -16.0393 -16.0388 -15.0776 -15.0747 -14.5468 -14.5448 -13.9850 -13.9839 -13.7735 -13.7723 -13.5479 -13.5451 -5.7286 -5.7264 -4.7431 -4.7407 -3.1094 -3.1024 -2.6357 -2.6328 -2.2685 -2.2592 -0.9626 -0.9449 -0.6810 -0.6635 -0.0916 -0.0604 0.1771 0.2189 0.6327 0.6476 1.3153 1.3286 1.5242 1.5528 2.2180 2.2267 2.4695 2.4850 2.5084 2.5189 2.9666 2.9698 3.1442 3.1461 3.3986 3.4025 3.7153 3.7334 8.0718 8.2144 9.5149 9.6379 10.7523 10.8450 11.6842 11.7032 11.9768 12.0361 k = 0.4744-0.1716-0.0810 ( 4097 PWs) bands (ev): -16.0348 -16.0344 -15.0786 -15.0766 -14.5493 -14.5479 -13.9842 -13.9835 -13.7735 -13.7727 -13.5492 -13.5473 -5.7326 -5.7311 -4.7420 -4.7404 -3.1081 -3.1033 -2.6339 -2.6319 -2.2626 -2.2563 -0.9491 -0.9368 -0.6821 -0.6692 -0.0857 -0.0639 0.1785 0.2077 0.6320 0.6419 1.3095 1.3180 1.5268 1.5458 2.2164 2.2222 2.4727 2.4830 2.5107 2.5176 2.9674 2.9696 3.1454 3.1467 3.4012 3.4037 3.7280 3.7402 8.0947 8.1904 9.5343 9.6171 10.7682 10.8307 11.6932 11.7068 11.9820 12.0226 k = 0.4872-0.1762-0.0832 ( 4095 PWs) bands (ev): -16.0320 -16.0318 -15.0791 -15.0781 -14.5507 -14.5500 -13.9836 -13.9832 -13.7734 -13.7730 -13.5498 -13.5488 -5.7349 -5.7341 -4.7411 -4.7404 -3.1068 -3.1044 -2.6327 -2.6317 -2.2583 -2.2551 -0.9394 -0.9331 -0.6813 -0.6743 -0.0795 -0.0683 0.1826 0.1976 0.6326 0.6376 1.3066 1.3107 1.5303 1.5397 2.2159 2.2189 2.4756 2.4807 2.5128 2.5162 2.9682 2.9692 3.1463 3.1469 3.4029 3.4042 3.7370 3.7431 8.1182 8.1663 9.5545 9.5961 10.7841 10.8156 11.7003 11.7074 11.9895 12.0101 k = 0.5000-0.1809-0.0854 ( 4100 PWs) bands (ev): -16.0310 -16.0310 -15.0789 -15.0789 -14.5509 -14.5509 -13.9833 -13.9833 -13.7732 -13.7732 -13.5497 -13.5497 -5.7354 -5.7354 -4.7406 -4.7406 -3.1056 -3.1056 -2.6319 -2.6319 -2.2558 -2.2558 -0.9340 -0.9340 -0.6785 -0.6785 -0.0736 -0.0736 0.1890 0.1890 0.6345 0.6345 1.3069 1.3069 1.5346 1.5346 2.2168 2.2168 2.4783 2.4783 2.5146 2.5146 2.9688 2.9688 3.1468 3.1468 3.4039 3.4039 3.7420 3.7420 8.1421 8.1421 9.5751 9.5751 10.8000 10.8000 11.7051 11.7051 11.9990 11.9990 k = 0.5000-0.1809 0.2614 ( 4072 PWs) bands (ev): -15.9856 -15.9856 -15.0572 -15.0572 -14.7540 -14.7540 -13.9593 -13.9593 -13.7248 -13.7248 -13.4721 -13.4721 -5.9559 -5.9559 -4.3413 -4.3413 -2.8340 -2.8340 -2.7389 -2.7389 -2.4923 -2.4923 -1.2929 -1.2929 -0.6483 -0.6483 0.0187 0.0187 0.2128 0.2128 0.4745 0.4745 1.1617 1.1617 1.9217 1.9217 2.1874 2.1874 2.3273 2.3273 2.6818 2.6818 3.0796 3.0796 3.1981 3.1981 3.3823 3.3823 3.6011 3.6011 8.2090 8.2090 9.6644 9.6644 10.9978 10.9978 11.5710 11.5710 11.8374 11.8374 k = 0.4884-0.1767 0.2553 ( 4070 PWs) bands (ev): -15.9864 -15.9862 -15.0589 -15.0578 -14.7524 -14.7510 -13.9597 -13.9593 -13.7250 -13.7248 -13.4723 -13.4719 -5.9553 -5.9544 -4.3424 -4.3419 -2.8386 -2.8333 -2.7419 -2.7371 -2.4921 -2.4875 -1.2952 -1.2912 -0.6531 -0.6432 -0.0010 0.0252 0.2065 0.2294 0.4734 0.4782 1.1601 1.1656 1.9208 1.9231 2.1857 2.1898 2.3260 2.3280 2.6817 2.6837 3.0773 3.0802 3.1967 3.1977 3.3818 3.3826 3.5977 3.6035 8.1944 8.2227 9.6562 9.6717 10.9909 11.0028 11.5697 11.5719 11.8370 11.8397 k = 0.4767-0.1725 0.2492 ( 4065 PWs) bands (ev): -15.9888 -15.9883 -15.0629 -15.0607 -14.7463 -14.7435 -13.9603 -13.9596 -13.7254 -13.7248 -13.4724 -13.4717 -5.9527 -5.9509 -4.3453 -4.3441 -2.8469 -2.8367 -2.7456 -2.7367 -2.4869 -2.4782 -1.2982 -1.2900 -0.6574 -0.6378 -0.0290 0.0171 0.2118 0.2520 0.4748 0.4846 1.1607 1.1718 1.9206 1.9252 2.1848 2.1928 2.3240 2.3281 2.6834 2.6872 3.0733 3.0792 3.1933 3.1952 3.3811 3.3826 3.5933 3.6047 8.1788 8.2352 9.6472 9.6782 10.9821 11.0059 11.5682 11.5725 11.8385 11.8439 k = 0.4651-0.1683 0.2431 ( 4067 PWs) bands (ev): -15.9925 -15.9918 -15.0687 -15.0656 -14.7359 -14.7321 -13.9613 -13.9602 -13.7259 -13.7251 -13.4725 -13.4715 -5.9481 -5.9455 -4.3497 -4.3480 -2.8586 -2.8440 -2.7493 -2.7375 -2.4771 -2.4652 -1.3020 -1.2894 -0.6613 -0.6318 -0.0614 -0.0021 0.2244 0.2770 0.4786 0.4937 1.1637 1.1803 1.9212 1.9279 2.1845 2.1965 2.3214 2.3276 2.6867 2.6922 3.0678 3.0764 3.1880 3.1908 3.3802 3.3824 3.5879 3.6048 8.1625 8.2466 9.6375 9.6837 10.9713 11.0072 11.5665 11.5728 11.8419 11.8499 k = 0.4535-0.1641 0.2370 ( 4069 PWs) bands (ev): -15.9977 -15.9967 -15.0757 -15.0720 -14.7219 -14.7171 -13.9626 -13.9611 -13.7266 -13.7255 -13.4725 -13.4712 -5.9415 -5.9380 -4.3558 -4.3536 -2.8731 -2.8550 -2.7528 -2.7391 -2.4636 -2.4496 -1.3065 -1.2893 -0.6645 -0.6253 -0.0956 -0.0273 0.2392 0.3017 0.4852 0.5055 1.1691 1.1911 1.9226 1.9312 2.1847 2.2007 2.3185 2.3269 2.6915 2.6985 3.0608 3.0721 3.1808 3.1843 3.3792 3.3820 3.5817 3.6036 8.1456 8.2566 9.6273 9.6885 10.9587 11.0066 11.5645 11.5726 11.8470 11.8574 k = 0.4419-0.1599 0.2310 ( 4070 PWs) bands (ev): -16.0043 -16.0031 -15.0836 -15.0793 -14.7048 -14.6993 -13.9643 -13.9624 -13.7274 -13.7261 -13.4725 -13.4709 -5.9329 -5.9286 -4.3635 -4.3608 -2.8898 -2.8692 -2.7558 -2.7412 -2.4475 -2.4323 -1.3120 -1.2898 -0.6669 -0.6181 -0.1303 -0.0552 0.2529 0.3245 0.4945 0.5198 1.1769 1.2043 1.9248 1.9352 2.1852 2.2052 2.3153 2.3260 2.6975 2.7057 3.0526 3.0664 3.1717 3.1758 3.3781 3.3812 3.5748 3.6013 8.1281 8.2653 9.6166 9.6926 10.9443 11.0042 11.5623 11.5719 11.8538 11.8663 k = 0.4302-0.1556 0.2249 ( 4074 PWs) bands (ev): -16.0122 -16.0107 -15.0918 -15.0872 -14.6852 -14.6792 -13.9662 -13.9640 -13.7283 -13.7268 -13.4723 -13.4705 -5.9224 -5.9173 -4.3726 -4.3695 -2.9082 -2.8858 -2.7585 -2.7434 -2.4296 -2.4138 -1.3183 -1.2908 -0.6683 -0.6100 -0.1644 -0.0837 0.2640 0.3442 0.5067 0.5362 1.1872 1.2196 1.9278 1.9399 2.1859 2.2096 2.3123 2.3253 2.7043 2.7136 3.0432 3.0594 3.1608 3.1655 3.3768 3.3802 3.5674 3.5979 8.1103 8.2726 9.6058 9.6962 10.9282 11.0001 11.5596 11.5706 11.8621 11.8764 k = 0.4186-0.1514 0.2188 ( 4074 PWs) bands (ev): -16.0213 -16.0196 -15.0999 -15.0951 -14.6636 -14.6572 -13.9685 -13.9659 -13.7295 -13.7278 -13.4720 -13.4699 -5.9100 -5.9041 -4.3831 -4.3797 -2.9279 -2.9042 -2.7610 -2.7457 -2.4107 -2.3950 -1.3257 -1.2925 -0.6684 -0.6008 -0.1972 -0.1116 0.2722 0.3603 0.5212 0.5538 1.2001 1.2371 1.9318 1.9453 2.1866 2.2137 2.3096 2.3250 2.7116 2.7216 3.0331 3.0514 3.1482 3.1534 3.3752 3.3789 3.5595 3.5933 8.0923 8.2784 9.5950 9.6993 10.9105 10.9943 11.5565 11.5687 11.8716 11.8875 k = 0.4070-0.1472 0.2127 ( 4076 PWs) bands (ev): -16.0315 -16.0297 -15.1078 -15.1028 -14.6404 -14.6338 -13.9710 -13.9682 -13.7308 -13.7290 -13.4715 -13.4691 -5.8957 -5.8891 -4.3949 -4.3912 -2.9484 -2.9241 -2.7635 -2.7479 -2.3917 -2.3764 -1.3340 -1.2948 -0.6669 -0.5902 -0.2283 -0.1384 0.2777 0.3727 0.5374 0.5721 1.2155 1.2566 1.9365 1.9515 2.1869 2.2171 2.3078 2.3255 2.7188 2.7294 3.0223 3.0425 3.1341 3.1398 3.3734 3.3773 3.5513 3.5878 8.0741 8.2829 9.5845 9.7022 10.8913 10.9869 11.5529 11.5659 11.8823 11.8994 k = 0.3953-0.1430 0.2067 ( 4074 PWs) bands (ev): -16.0429 -16.0408 -15.1151 -15.1100 -14.6160 -14.6092 -13.9738 -13.9707 -13.7323 -13.7303 -13.4707 -13.4682 -5.8797 -5.8724 -4.4079 -4.4040 -2.9696 -2.9451 -2.7659 -2.7502 -2.3730 -2.3583 -1.3432 -1.2977 -0.6637 -0.5782 -0.2571 -0.1633 0.2810 0.3819 0.5543 0.5906 1.2333 1.2777 1.9418 1.9584 2.1868 2.2194 2.3073 2.3270 2.7255 2.7365 3.0112 3.0332 3.1186 3.1251 3.3711 3.3753 3.5428 3.5812 8.0561 8.2860 9.5743 9.7050 10.8708 10.9777 11.5485 11.5623 11.8938 11.9118 k = 0.3837-0.1388 0.2006 ( 4070 PWs) bands (ev): -16.0552 -16.0529 -15.1218 -15.1166 -14.5908 -14.5840 -13.9769 -13.9735 -13.7340 -13.7319 -13.4697 -13.4670 -5.8619 -5.8540 -4.4219 -4.4179 -2.9911 -2.9667 -2.7685 -2.7525 -2.3552 -2.3413 -1.3531 -1.3013 -0.6586 -0.5647 -0.2834 -0.1861 0.2823 0.3885 0.5710 0.6087 1.2533 1.3002 1.9475 1.9661 2.1861 2.2201 2.3085 2.3297 2.7310 2.7424 3.0000 3.0238 3.1020 3.1097 3.3681 3.3727 3.5343 3.5738 8.0382 8.2879 9.5648 9.7079 10.8491 10.9670 11.5433 11.5577 11.9061 11.9247 k = 0.3721-0.1346 0.1945 ( 4072 PWs) bands (ev): -16.0683 -16.0659 -15.1276 -15.1224 -14.5650 -14.5583 -13.9802 -13.9766 -13.7358 -13.7337 -13.4684 -13.4655 -5.8425 -5.8340 -4.4369 -4.4328 -3.0130 -2.9890 -2.7711 -2.7548 -2.3387 -2.3257 -1.3634 -1.3054 -0.6515 -0.5497 -0.3068 -0.2065 0.2822 0.3929 0.5868 0.6263 1.2752 1.3236 1.9533 1.9743 2.1846 2.2193 2.3116 2.3338 2.7349 2.7465 2.9892 3.0146 3.0847 3.0943 3.3642 3.3696 3.5258 3.5656 8.0207 8.2887 9.5561 9.7110 10.8265 10.9547 11.5371 11.5519 11.9189 11.9378 k = 0.3605-0.1304 0.1884 ( 4071 PWs) bands (ev): -16.0823 -16.0797 -15.1326 -15.1274 -14.5390 -14.5324 -13.9836 -13.9799 -13.7378 -13.7356 -13.4668 -13.4637 -5.8216 -5.8125 -4.4527 -4.4486 -3.0350 -3.0116 -2.7740 -2.7572 -2.3239 -2.3119 -1.3739 -1.3099 -0.6423 -0.5334 -0.3268 -0.2243 0.2809 0.3957 0.6016 0.6432 1.2986 1.3476 1.9587 1.9829 2.1825 2.2172 2.3167 2.3392 2.7366 2.7483 2.9788 3.0059 3.0672 3.0793 3.3591 3.3658 3.5175 3.5567 8.0038 8.2886 9.5483 9.7144 10.8030 10.9410 11.5297 11.5450 11.9322 11.9510 k = 0.3488-0.1262 0.1823 ( 4073 PWs) bands (ev): -16.0968 -16.0941 -15.1367 -15.1314 -14.5129 -14.5065 -13.9872 -13.9833 -13.7399 -13.7378 -13.4649 -13.4616 -5.7992 -5.7896 -4.4691 -4.4651 -3.0573 -3.0345 -2.7769 -2.7596 -2.3112 -2.3002 -1.3843 -1.3147 -0.6311 -0.5165 -0.3428 -0.2393 0.2788 0.3970 0.6151 0.6595 1.3231 1.3717 1.9632 1.9914 2.1797 2.2141 2.3235 2.3461 2.7356 2.7472 2.9691 2.9980 3.0502 3.0654 3.3525 3.3610 3.5094 3.5472 7.9877 8.2877 9.5417 9.7181 10.7789 10.9258 11.5210 11.5366 11.9457 11.9644 k = 0.3372-0.1220 0.1763 ( 4071 PWs) bands (ev): -16.1119 -16.1091 -15.1399 -15.1345 -14.4871 -14.4811 -13.9907 -13.9868 -13.7421 -13.7400 -13.4626 -13.4592 -5.7754 -5.7655 -4.4861 -4.4822 -3.0796 -3.0576 -2.7800 -2.7621 -2.3009 -2.2909 -1.3942 -1.3195 -0.6181 -0.4999 -0.3539 -0.2513 0.2760 0.3972 0.6276 0.6751 1.3482 1.3954 1.9665 1.9993 2.1764 2.2106 2.3318 2.3545 2.7317 2.7431 2.9601 2.9909 3.0345 3.0532 3.3443 3.3551 3.5018 3.5374 7.9725 8.2862 9.5363 9.7222 10.7543 10.9092 11.5109 11.5268 11.9595 11.9778 k = 0.3256-0.1178 0.1702 ( 4070 PWs) bands (ev): -16.1275 -16.1246 -15.1421 -15.1368 -14.4619 -14.4562 -13.9941 -13.9902 -13.7444 -13.7423 -13.4599 -13.4564 -5.7505 -5.7402 -4.5034 -4.4997 -3.1021 -3.0808 -2.7833 -2.7646 -2.2932 -2.2841 -1.4031 -1.3241 -0.6035 -0.4853 -0.3584 -0.2601 0.2728 0.3964 0.6392 0.6904 1.3734 1.4184 1.9681 2.0059 2.1728 2.2071 2.3415 2.3641 2.7248 2.7359 2.9517 2.9840 3.0212 3.0432 3.3342 3.3477 3.4946 3.5273 7.9584 8.2844 9.5322 9.7268 10.7295 10.8914 11.4994 11.5155 11.9734 11.9912 k = 0.3140-0.1136 0.1641 ( 4068 PWs) bands (ev): -16.1434 -16.1404 -15.1435 -15.1381 -14.4375 -14.4323 -13.9972 -13.9934 -13.7468 -13.7447 -13.4570 -13.4533 -5.7245 -5.7138 -4.5209 -4.5174 -3.1247 -3.1042 -2.7867 -2.7672 -2.2885 -2.2801 -1.4109 -1.3283 -0.5877 -0.4749 -0.3545 -0.2655 0.2693 0.3946 0.6502 0.7053 1.3983 1.4402 1.9674 2.0104 2.1694 2.2039 2.3522 2.3750 2.7152 2.7260 2.9437 2.9761 3.0119 3.0357 3.3221 3.3386 3.4879 3.5172 7.9457 8.2825 9.5296 9.7319 10.7046 10.8724 11.4863 11.5026 11.9872 12.0047 k = 0.3023-0.1094 0.1580 ( 4067 PWs) bands (ev): -16.1594 -16.1564 -15.1440 -15.1385 -14.4143 -14.4097 -13.9998 -13.9961 -13.7491 -13.7471 -13.4537 -13.4499 -5.6976 -5.6867 -4.5384 -4.5351 -3.1473 -3.1275 -2.7903 -2.7699 -2.2868 -2.2790 -1.4170 -1.3319 -0.5713 -0.4694 -0.3417 -0.2671 0.2658 0.3922 0.6611 0.7202 1.4224 1.4606 1.9642 2.0120 2.1666 2.2014 2.3640 2.3868 2.7035 2.7139 2.9360 2.9667 3.0070 3.0307 3.3081 3.3276 3.4816 3.5071 7.9344 8.2807 9.5285 9.7375 10.6797 10.8524 11.4716 11.4880 12.0010 12.0182 k = 0.2907-0.1052 0.1520 ( 4076 PWs) bands (ev): -16.1757 -16.1726 -15.1437 -15.1381 -14.3926 -14.3886 -14.0016 -13.9983 -13.7514 -13.7495 -13.4501 -13.4463 -5.6699 -5.6588 -4.5557 -4.5527 -3.1700 -3.1509 -2.7940 -2.7727 -2.2884 -2.2808 -1.4214 -1.3345 -0.5547 -0.4676 -0.3217 -0.2648 0.2624 0.3890 0.6720 0.7353 1.4454 1.4791 1.9582 2.0098 2.1649 2.1996 2.3764 2.3994 2.6904 2.7006 2.9286 2.9564 3.0056 3.0280 3.2921 3.3145 3.4755 3.4972 7.9248 8.2791 9.5290 9.7435 10.6551 10.8316 11.4554 11.4718 12.0144 12.0319 k = 0.2791-0.1010 0.1459 ( 4078 PWs) bands (ev): -16.1919 -16.1888 -15.1426 -15.1368 -14.3729 -14.3694 -14.0024 -13.9995 -13.7537 -13.7518 -13.4463 -13.4423 -5.6417 -5.6305 -4.5726 -4.5699 -3.1928 -3.1742 -2.7977 -2.7754 -2.2934 -2.2854 -1.4238 -1.3360 -0.5386 -0.4675 -0.2970 -0.2581 0.2592 0.3854 0.6833 0.7508 1.4668 1.4956 1.9492 2.0037 2.1646 2.1985 2.3892 2.4123 2.6769 2.6870 2.9217 2.9463 3.0063 3.0272 3.2743 3.2992 3.4697 3.4875 7.9171 8.2780 9.5312 9.7500 10.6309 10.8100 11.4377 11.4539 12.0274 12.0458 k = 0.2674-0.0968 0.1398 ( 4079 PWs) bands (ev): -16.2081 -16.2049 -15.1407 -15.1348 -14.3555 -14.3524 -14.0018 -13.9995 -13.7559 -13.7541 -13.4422 -13.4382 -5.6132 -5.6019 -4.5889 -4.5865 -3.2155 -3.1974 -2.8016 -2.7783 -2.3016 -2.2929 -1.4241 -1.3363 -0.5234 -0.4677 -0.2699 -0.2467 0.2564 0.3814 0.6953 0.7669 1.4863 1.5098 1.9374 1.9934 2.1657 2.1980 2.4017 2.4249 2.6638 2.6741 2.9154 2.9369 3.0081 3.0278 3.2549 3.2817 3.4638 3.4781 7.9113 8.2774 9.5350 9.7569 10.6072 10.7880 11.4184 11.4345 12.0400 12.0598 k = 0.2558-0.0925 0.1337 ( 4075 PWs) bands (ev): -16.2241 -16.2210 -15.1381 -15.1321 -14.3410 -14.3379 -13.9997 -13.9980 -13.7579 -13.7562 -13.4379 -13.4338 -5.5845 -5.5733 -4.6044 -4.6023 -3.2381 -3.2204 -2.8055 -2.7811 -2.3130 -2.3031 -1.4223 -1.3353 -0.5095 -0.4672 -0.2437 -0.2287 0.2540 0.3770 0.7084 0.7840 1.5035 1.5218 1.9229 1.9794 2.1680 2.1981 2.4135 2.4365 2.6523 2.6629 2.9097 2.9285 3.0100 3.0294 3.2342 3.2623 3.4579 3.4689 7.9075 8.2774 9.5406 9.7643 10.5842 10.7657 11.3978 11.4135 12.0521 12.0739 k = 0.2442-0.0883 0.1276 ( 4076 PWs) bands (ev): -16.2399 -16.2368 -15.1348 -15.1287 -14.3296 -14.3261 -13.9958 -13.9947 -13.7598 -13.7581 -13.4334 -13.4293 -5.5560 -5.5448 -4.6189 -4.6170 -3.2605 -3.2432 -2.8094 -2.7839 -2.3272 -2.3160 -1.4184 -1.3329 -0.4972 -0.4654 -0.2213 -0.2029 0.2522 0.3725 0.7226 0.8023 1.5178 1.5318 1.9061 1.9622 2.1712 2.1989 2.4236 2.4463 2.6431 2.6543 2.9047 2.9211 3.0116 3.0315 3.2126 3.2410 3.4517 3.4600 7.9060 8.2781 9.5479 9.7721 10.5620 10.7433 11.3757 11.3911 12.0636 12.0879 k = 0.2326-0.0841 0.1216 ( 4081 PWs) bands (ev): -16.2553 -16.2523 -15.1309 -15.1247 -14.3214 -14.3173 -13.9902 -13.9893 -13.7615 -13.7599 -13.4288 -13.4247 -5.5279 -5.5169 -4.6321 -4.6305 -3.2827 -3.2657 -2.8133 -2.7867 -2.3442 -2.3314 -1.4126 -1.3291 -0.4864 -0.4619 -0.1993 -0.1739 0.2511 0.3680 0.7382 0.8221 1.5280 1.5408 1.8873 1.9423 2.1751 2.2003 2.4314 2.4533 2.6373 2.6489 2.9001 2.9147 3.0121 3.0337 3.1909 3.2184 3.4453 3.4511 7.9066 8.2795 9.5569 9.7804 10.5407 10.7210 11.3522 11.3675 12.0746 12.1019 k = 0.2209-0.0799 0.1155 ( 4082 PWs) bands (ev): -16.2704 -16.2675 -15.1264 -15.1201 -14.3164 -14.3115 -13.9829 -13.9818 -13.7630 -13.7614 -13.4241 -13.4200 -5.5004 -5.4896 -4.6439 -4.6424 -3.3046 -3.2879 -2.8172 -2.7894 -2.3635 -2.3490 -1.4051 -1.3241 -0.4772 -0.4566 -0.1760 -0.1449 0.2508 0.3634 0.7553 0.8437 1.5332 1.5493 1.8671 1.9205 2.1796 2.2023 2.4363 2.4571 2.6350 2.6472 2.8957 2.9090 3.0110 3.0353 3.1699 3.1952 3.4384 3.4425 7.9094 8.2815 9.5677 9.7891 10.5204 10.6993 11.3273 11.3429 12.0850 12.1155 k = 0.2093-0.0757 0.1094 ( 4081 PWs) bands (ev): -16.2851 -16.2822 -15.1214 -15.1150 -14.3144 -14.3086 -13.9740 -13.9724 -13.7643 -13.7627 -13.4193 -13.4153 -5.4740 -5.4635 -4.6539 -4.6526 -3.3261 -3.3097 -2.8211 -2.7920 -2.3848 -2.3686 -1.3960 -1.3180 -0.4689 -0.4496 -0.1516 -0.1171 0.2513 0.3590 0.7740 0.8671 1.5343 1.5565 1.8461 1.8974 2.1847 2.2050 2.4380 2.4574 2.6363 2.6489 2.8909 2.9039 3.0073 3.0354 3.1511 3.1726 3.4311 3.4340 7.9145 8.2840 9.5802 9.7983 10.5011 10.6782 11.3010 11.3174 12.0948 12.1288 k = 0.1977-0.0715 0.1033 ( 4082 PWs) bands (ev): -16.2992 -16.2964 -15.1159 -15.1095 -14.3150 -14.3085 -13.9636 -13.9616 -13.7653 -13.7637 -13.4145 -13.4106 -5.4489 -5.4387 -4.6620 -4.6607 -3.3471 -3.3309 -2.8249 -2.7944 -2.4080 -2.3900 -1.3855 -1.3107 -0.4609 -0.4415 -0.1268 -0.0912 0.2526 0.3547 0.7944 0.8927 1.5320 1.5618 1.8250 1.8738 2.1902 2.2083 2.4370 2.4547 2.6402 2.6534 2.8853 2.8988 3.0004 3.0328 3.1359 3.1523 3.4233 3.4257 7.9217 8.2869 9.5943 9.8080 10.4830 10.6582 11.2732 11.2914 12.1040 12.1416 k = 0.1860-0.0673 0.0972 ( 4081 PWs) bands (ev): -16.3128 -16.3101 -15.1101 -15.1036 -14.3178 -14.3108 -13.9521 -13.9499 -13.7660 -13.7644 -13.4098 -13.4059 -5.4254 -5.4155 -4.6680 -4.6667 -3.3675 -3.3516 -2.8286 -2.7967 -2.4326 -2.4128 -1.3739 -1.3026 -0.4527 -0.4327 -0.1023 -0.0675 0.2547 0.3507 0.8164 0.9204 1.5267 1.5646 1.8045 1.8504 2.1962 2.2123 2.4336 2.4496 2.6455 2.6596 2.8779 2.8932 2.9902 3.0260 3.1256 3.1364 3.4150 3.4177 7.9310 8.2900 9.6099 9.8180 10.4659 10.6395 11.2440 11.2648 12.1127 12.1537 k = 0.1744-0.0631 0.0912 ( 4079 PWs) bands (ev): -16.3258 -16.3232 -15.1039 -15.0975 -14.3226 -14.3151 -13.9399 -13.9375 -13.7664 -13.7648 -13.4051 -13.4013 -5.4037 -5.3943 -4.6717 -4.6703 -3.3872 -3.3717 -2.8321 -2.7987 -2.4584 -2.4368 -1.3614 -1.2938 -0.4438 -0.4234 -0.0787 -0.0463 0.2575 0.3469 0.8398 0.9503 1.5187 1.5650 1.7855 1.8281 2.2024 2.2170 2.4284 2.4428 2.6508 2.6663 2.8679 2.8860 2.9780 3.0146 3.1201 3.1267 3.4066 3.4098 7.9423 8.2931 9.6270 9.8285 10.4500 10.6224 11.2136 11.2379 12.1208 12.1650 k = 0.1628-0.0589 0.0851 ( 4082 PWs) bands (ev): -16.3382 -16.3357 -15.0974 -15.0911 -14.3287 -14.3210 -13.9273 -13.9248 -13.7665 -13.7649 -13.4005 -13.3969 -5.3841 -5.3751 -4.6730 -4.6715 -3.4061 -3.3911 -2.8353 -2.8005 -2.4850 -2.4616 -1.3482 -1.2844 -0.4343 -0.4138 -0.0565 -0.0277 0.2608 0.3434 0.8644 0.9820 1.5083 1.5629 1.7687 1.8077 2.2090 2.2221 2.4219 2.4349 2.6545 2.6720 2.8548 2.8761 2.9659 3.0004 3.1189 3.1228 3.3982 3.4019 7.9555 8.2961 9.6454 9.8394 10.4352 10.6071 11.1820 11.2107 12.1284 12.1755 k = 0.1512-0.0547 0.0790 ( 4076 PWs) bands (ev): -16.3498 -16.3475 -15.0908 -15.0845 -14.3360 -14.3282 -13.9148 -13.9124 -13.7662 -13.7645 -13.3960 -13.3926 -5.3667 -5.3582 -4.6719 -4.6703 -3.4241 -3.4096 -2.8383 -2.8019 -2.5123 -2.4869 -1.3345 -1.2747 -0.4241 -0.4039 -0.0362 -0.0115 0.2645 0.3402 0.8900 1.0152 1.4959 1.5585 1.7549 1.7901 2.2157 2.2276 2.4145 2.4263 2.6548 2.6753 2.8395 2.8628 2.9558 2.9865 3.1207 3.1233 3.3899 3.3940 7.9703 8.2987 9.6650 9.8506 10.4217 10.5938 11.1497 11.1833 12.1355 12.1850 k = 0.1395-0.0505 0.0729 ( 4072 PWs) bands (ev): -16.3607 -16.3586 -15.0841 -15.0779 -14.3440 -14.3362 -13.9026 -13.9004 -13.7655 -13.7638 -13.3917 -13.3885 -5.3516 -5.3437 -4.6684 -4.6668 -3.4412 -3.4273 -2.8410 -2.8030 -2.5399 -2.5125 -1.3206 -1.2649 -0.4133 -0.3940 -0.0183 0.0026 0.2684 0.3371 0.9160 1.0492 1.4820 1.5522 1.7446 1.7760 2.2225 2.2335 2.4063 2.4172 2.6494 2.6741 2.8242 2.8468 2.9483 2.9749 3.1247 3.1266 3.3819 3.3862 7.9867 8.3006 9.6854 9.8619 10.4096 10.5826 11.1167 11.1557 12.1421 12.1934 k = 0.1279-0.0463 0.0669 ( 4072 PWs) bands (ev): -16.3709 -16.3689 -15.0773 -15.0714 -14.3524 -14.3448 -13.8911 -13.8891 -13.7644 -13.7626 -13.3877 -13.3846 -5.3388 -5.3315 -4.6628 -4.6612 -3.4572 -3.4440 -2.8432 -2.8036 -2.5674 -2.5381 -1.3066 -1.2551 -0.4020 -0.3839 -0.0032 0.0151 0.2722 0.3341 0.9419 1.0831 1.4672 1.5447 1.7383 1.7658 2.2293 2.2394 2.3974 2.4076 2.6366 2.6662 2.8117 2.8307 2.9433 2.9661 3.1301 3.1318 3.3742 3.3786 8.0043 8.3017 9.7065 9.8734 10.3990 10.5734 11.0835 11.1281 12.1483 12.2006 k = 0.1163-0.0421 0.0608 ( 4071 PWs) bands (ev): -16.3802 -16.3784 -15.0706 -15.0649 -14.3610 -14.3537 -13.8805 -13.8788 -13.7628 -13.7610 -13.3838 -13.3810 -5.3282 -5.3215 -4.6553 -4.6539 -3.4721 -3.4596 -2.8449 -2.8037 -2.5947 -2.5633 -1.2928 -1.2455 -0.3906 -0.3740 0.0089 0.0265 0.2758 0.3311 0.9672 1.1156 1.4526 1.5367 1.7364 1.7602 2.2359 2.2453 2.3875 2.3977 2.6158 2.6497 2.8037 2.8180 2.9400 2.9597 3.1365 3.1379 3.3668 3.3713 8.0230 8.3018 9.7280 9.8846 10.3903 10.5661 11.0504 11.1006 12.1542 12.2066 k = 0.1047-0.0379 0.0547 ( 4075 PWs) bands (ev): -16.3888 -16.3871 -15.0641 -15.0587 -14.3696 -14.3626 -13.8710 -13.8696 -13.7608 -13.7590 -13.3802 -13.3776 -5.3196 -5.3136 -4.6464 -4.6451 -3.4857 -3.4742 -2.8460 -2.8033 -2.6214 -2.5879 -1.2793 -1.2364 -0.3791 -0.3642 0.0183 0.0368 0.2791 0.3280 0.9913 1.1449 1.4395 1.5289 1.7390 1.7594 2.2422 2.2511 2.3765 2.3873 2.5885 2.6245 2.7999 2.8100 2.9379 2.9548 3.1434 3.1447 3.3599 3.3642 8.0426 8.3005 9.7497 9.8953 10.3838 10.5602 11.0179 11.0733 12.1598 12.2114 k = 0.0930-0.0337 0.0486 ( 4075 PWs) bands (ev): -16.3965 -16.3950 -15.0578 -15.0528 -14.3778 -14.3713 -13.8627 -13.8616 -13.7585 -13.7566 -13.3769 -13.3746 -5.3129 -5.3075 -4.6366 -4.6353 -3.4981 -3.4876 -2.8464 -2.8023 -2.6473 -2.6116 -1.2664 -1.2279 -0.3677 -0.3548 0.0256 0.0457 0.2821 0.3247 1.0137 1.1691 1.4294 1.5218 1.7465 1.7636 2.2481 2.2565 2.3638 2.3760 2.5575 2.5929 2.7992 2.8064 2.9365 2.9511 3.1505 3.1517 3.3535 3.3576 8.0628 8.2979 9.7711 9.9051 10.3799 10.5554 10.9868 11.0465 12.1652 12.2149 k = 0.0814-0.0294 0.0425 ( 4076 PWs) bands (ev): -16.4033 -16.4020 -15.0519 -15.0474 -14.3855 -14.3796 -13.8557 -13.8548 -13.7558 -13.7540 -13.3740 -13.3719 -5.3077 -5.3030 -4.6262 -4.6251 -3.5092 -3.4997 -2.8460 -2.8005 -2.6720 -2.6343 -1.2542 -1.2203 -0.3569 -0.3460 0.0316 0.0531 0.2847 0.3213 1.0341 1.1861 1.4240 1.5154 1.7589 1.7729 2.2533 2.2613 2.3488 2.3635 2.5257 2.5580 2.8001 2.8055 2.9357 2.9480 3.1575 3.1586 3.3476 3.3515 8.0834 8.2937 9.7920 9.9136 10.3792 10.5508 10.9577 11.0204 12.1704 12.2171 k = 0.0698-0.0252 0.0365 ( 4076 PWs) bands (ev): -16.4092 -16.4081 -15.0464 -15.0424 -14.3925 -14.3873 -13.8498 -13.8492 -13.7530 -13.7513 -13.3713 -13.3695 -5.3038 -5.2997 -4.6159 -4.6150 -3.5188 -3.5104 -2.8445 -2.7981 -2.6953 -2.6556 -1.2429 -1.2136 -0.3467 -0.3378 0.0366 0.0587 0.2870 0.3177 1.0526 1.1946 1.4243 1.5097 1.7762 1.7873 2.2574 2.2652 2.3311 2.3488 2.4960 2.5232 2.8019 2.8061 2.9352 2.9455 3.1642 3.1652 3.3424 3.3459 8.1041 8.2879 9.8122 9.9203 10.3821 10.5457 10.9316 10.9951 12.1756 12.2181 k = 0.0581-0.0210 0.0304 ( 4074 PWs) bands (ev): -16.4143 -16.4133 -15.0416 -15.0381 -14.3987 -14.3942 -13.8452 -13.8447 -13.7502 -13.7486 -13.3690 -13.3675 -5.3009 -5.2975 -4.6062 -4.6055 -3.5269 -3.5198 -2.8420 -2.7951 -2.7167 -2.6756 -1.2327 -1.2080 -0.3376 -0.3305 0.0411 0.0625 0.2891 0.3141 1.0692 1.1950 1.4295 1.5045 1.7974 1.8065 2.2592 2.2674 2.3115 2.3311 2.4707 2.4915 2.8040 2.8073 2.9350 2.9434 3.1702 3.1712 3.3379 3.3410 8.1247 8.2805 9.8314 9.9246 10.3886 10.5391 10.9095 10.9711 12.1806 12.2180 k = 0.0465-0.0168 0.0243 ( 4076 PWs) bands (ev): -16.4184 -16.4176 -15.0373 -15.0345 -14.4038 -14.4001 -13.8416 -13.8412 -13.7475 -13.7462 -13.3671 -13.3658 -5.2988 -5.2961 -4.5975 -4.5969 -3.5335 -3.5277 -2.8382 -2.7918 -2.7356 -2.6939 -1.2236 -1.2038 -0.3296 -0.3243 0.0454 0.0647 0.2909 0.3105 1.0845 1.1890 1.4380 1.4994 1.8212 1.8296 2.2545 2.2660 2.2953 2.3113 2.4510 2.4655 2.8060 2.8087 2.9351 2.9416 3.1755 3.1765 3.3342 3.3367 8.1449 8.2713 9.8494 9.9263 10.3989 10.5302 10.8926 10.9486 12.1856 12.2169 k = 0.0349-0.0126 0.0182 ( 4077 PWs) bands (ev): -16.4216 -16.4210 -15.0339 -15.0317 -14.4079 -14.4050 -13.8389 -13.8387 -13.7452 -13.7442 -13.3655 -13.3646 -5.2973 -5.2953 -4.5903 -4.5899 -3.5385 -3.5341 -2.8331 -2.7893 -2.7506 -2.7105 -1.2159 -1.2009 -0.3231 -0.3193 0.0495 0.0654 0.2927 0.3071 1.0987 1.1790 1.4478 1.4941 1.8459 1.8543 2.2383 2.2566 2.2888 2.2956 2.4369 2.4463 2.8078 2.8098 2.9353 2.9401 3.1799 3.1807 3.3313 3.3332 8.1646 8.2604 9.8661 9.9253 10.4127 10.5183 10.8814 10.9280 12.1906 12.2148 k = 0.0233-0.0084 0.0122 ( 4077 PWs) bands (ev): -16.4238 -16.4234 -15.0312 -15.0297 -14.4107 -14.4088 -13.8371 -13.8369 -13.7434 -13.7427 -13.3644 -13.3637 -5.2963 -5.2949 -4.5849 -4.5846 -3.5419 -3.5389 -2.8264 -2.7910 -2.7582 -2.7253 -1.2095 -1.1995 -0.3182 -0.3157 0.0534 0.0647 0.2945 0.3039 1.1125 1.1668 1.4576 1.4884 1.8691 1.8768 2.2189 2.2370 2.2877 2.2897 2.4279 2.4335 2.8092 2.8106 2.9356 2.9388 3.1832 3.1838 3.3292 3.3306 8.1836 8.2479 9.8811 9.9214 10.4293 10.5035 10.8765 10.9100 12.1954 12.2120 k = 0.0116-0.0042 0.0061 ( 4075 PWs) bands (ev): -16.4252 -16.4250 -15.0295 -15.0287 -14.4122 -14.4112 -13.8360 -13.8359 -13.7422 -13.7418 -13.3636 -13.3633 -5.2956 -5.2949 -4.5815 -4.5813 -3.5436 -3.5421 -2.8182 -2.7988 -2.7564 -2.7382 -1.2047 -1.1997 -0.3150 -0.3138 0.0570 0.0630 0.2965 0.3011 1.1261 1.1534 1.4667 1.4820 1.8873 1.8922 2.2058 2.2167 2.2878 2.2885 2.4233 2.4259 2.8103 2.8110 2.9362 2.9377 3.1853 3.1856 3.3281 3.3288 8.2015 8.2338 9.8944 9.9148 10.4478 10.4861 10.8775 10.8951 12.2001 12.2085 k = 0.0000 0.0000 0.0000 ( 4081 PWs) bands (ev): -16.4255 -16.4255 -15.0286 -15.0286 -14.4124 -14.4124 -13.8356 -13.8356 -13.7416 -13.7416 -13.3632 -13.3632 -5.2951 -5.2951 -4.5803 -4.5803 -3.5437 -3.5437 -2.8088 -2.8088 -2.7488 -2.7488 -1.2014 -1.2014 -0.3135 -0.3135 0.0603 0.0603 0.2986 0.2986 1.1398 1.1398 1.4748 1.4748 1.8960 1.8960 2.2047 2.2047 2.2882 2.2882 2.4226 2.4226 2.8108 2.8108 2.9369 2.9369 3.1861 3.1861 3.3280 3.3280 8.2183 8.2183 9.9057 9.9057 10.4671 10.4671 10.8840 10.8840 12.2045 12.2045 Writing output data file BixBO2x3.save init_run : 2.17s CPU 11.75s WALL ( 1 calls) electrons : 925.35s CPU 934.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.32s CPU 1.71s WALL ( 1 calls) Called by electrons: c_bands : 925.33s CPU 933.79s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.07s WALL ( 1 calls) v_h : 0.00s CPU 0.12s WALL ( 1 calls) v_xc : 0.08s CPU 0.66s WALL ( 1 calls) newd : 0.18s CPU 0.46s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.16s WALL ( 334 calls) cegterg : 877.06s CPU 882.50s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 349.94s CPU 358.08s WALL ( 13093 calls) s_psi : 25.68s CPU 26.24s WALL ( 13093 calls) g_psi : 0.94s CPU 0.98s WALL ( 12033 calls) cdiaghg : 375.63s CPU 373.03s WALL ( 12367 calls) cegterg:over : 77.57s CPU 75.36s WALL ( 12033 calls) cegterg:upda : 19.26s CPU 22.71s WALL ( 12033 calls) cegterg:last : 15.46s CPU 16.23s WALL ( 2062 calls) Called by h_psi: h_psi:vloc : 279.59s CPU 286.25s WALL ( 13093 calls) h_psi:vnl : 69.93s CPU 70.82s WALL ( 13093 calls) add_vuspsi : 20.81s CPU 24.51s WALL ( 13093 calls) General routines calbec : 49.08s CPU 46.15s WALL ( 13093 calls) fft : 0.78s CPU 1.55s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 265.68s CPU 269.57s WALL ( 1530564 calls) interpolate : 0.02s CPU 0.03s WALL ( 4 calls) davcio : 0.03s CPU 1.48s WALL ( 668 calls) Parallel routines fft_scatter : 167.74s CPU 168.57s WALL ( 1530587 calls) PWSCF : 16m29.44s CPU 17m47.17s WALL This run was terminated on: 22: 1:34 28Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=