Program PWSCF v.5.1.1 starts on 25Nov2015 at 12:35:10 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 1551 672 103 Max 35 20 6 1556 692 110 Sum 1641 949 277 74545 32805 5135 bravais-lattice index = 14 lattice parameter (alat) = 8.2254 a.u. unit-cell volume = 753.3959 (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)= 8.225380 celldm(2)= 1.000000 celldm(3)= 1.496364 celldm(4)= 0.219040 celldm(5)= 0.219040 celldm(6)= 0.344309 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.344309 0.938856 0.000000 ) a(3) = ( 0.327764 0.228908 1.441970 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.366733 -0.169085 ) b(2) = ( 0.000000 1.065126 -0.169085 ) b(3) = ( 0.000000 0.000000 0.693496 ) 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 0.0075912 -0.0036758), wk = 0.0029940 k( 3) = ( 0.0217391 0.0151825 -0.0073515), wk = 0.0029940 k( 4) = ( 0.0326087 0.0227737 -0.0110273), wk = 0.0029940 k( 5) = ( 0.0434783 0.0303649 -0.0147031), wk = 0.0029940 k( 6) = ( 0.0543478 0.0379561 -0.0183788), wk = 0.0029940 k( 7) = ( 0.0652174 0.0455474 -0.0220546), wk = 0.0029940 k( 8) = ( 0.0760870 0.0531386 -0.0257304), wk = 0.0029940 k( 9) = ( 0.0869565 0.0607298 -0.0294061), wk = 0.0029940 k( 10) = ( 0.0978261 0.0683210 -0.0330819), wk = 0.0029940 k( 11) = ( 0.1086957 0.0759123 -0.0367577), wk = 0.0029940 k( 12) = ( 0.1195652 0.0835035 -0.0404334), wk = 0.0029940 k( 13) = ( 0.1304348 0.0910947 -0.0441092), wk = 0.0029940 k( 14) = ( 0.1413043 0.0986860 -0.0477850), wk = 0.0029940 k( 15) = ( 0.1521739 0.1062772 -0.0514608), wk = 0.0029940 k( 16) = ( 0.1630435 0.1138684 -0.0551365), wk = 0.0029940 k( 17) = ( 0.1739130 0.1214596 -0.0588123), wk = 0.0029940 k( 18) = ( 0.1847826 0.1290509 -0.0624881), wk = 0.0029940 k( 19) = ( 0.1956522 0.1366421 -0.0661638), wk = 0.0029940 k( 20) = ( 0.2065217 0.1442333 -0.0698396), wk = 0.0029940 k( 21) = ( 0.2173913 0.1518245 -0.0735154), wk = 0.0029940 k( 22) = ( 0.2282609 0.1594158 -0.0771911), wk = 0.0029940 k( 23) = ( 0.2391304 0.1670070 -0.0808669), wk = 0.0029940 k( 24) = ( 0.2500000 0.1745982 -0.0845427), wk = 0.0029940 k( 25) = ( 0.2608696 0.1821895 -0.0882184), wk = 0.0029940 k( 26) = ( 0.2717391 0.1897807 -0.0918942), wk = 0.0029940 k( 27) = ( 0.2826087 0.1973719 -0.0955700), wk = 0.0029940 k( 28) = ( 0.2934783 0.2049631 -0.0992457), wk = 0.0029940 k( 29) = ( 0.3043478 0.2125544 -0.1029215), wk = 0.0029940 k( 30) = ( 0.3152174 0.2201456 -0.1065973), wk = 0.0029940 k( 31) = ( 0.3260870 0.2277368 -0.1102730), wk = 0.0029940 k( 32) = ( 0.3369565 0.2353280 -0.1139488), wk = 0.0029940 k( 33) = ( 0.3478261 0.2429193 -0.1176246), wk = 0.0029940 k( 34) = ( 0.3586956 0.2505105 -0.1213003), wk = 0.0029940 k( 35) = ( 0.3695652 0.2581017 -0.1249761), wk = 0.0029940 k( 36) = ( 0.3804348 0.2656930 -0.1286519), wk = 0.0029940 k( 37) = ( 0.3913044 0.2732842 -0.1323276), wk = 0.0029940 k( 38) = ( 0.4021739 0.2808754 -0.1360034), wk = 0.0029940 k( 39) = ( 0.4130435 0.2884666 -0.1396792), wk = 0.0029940 k( 40) = ( 0.4239130 0.2960579 -0.1433550), wk = 0.0029940 k( 41) = ( 0.4347826 0.3036491 -0.1470307), wk = 0.0029940 k( 42) = ( 0.4456522 0.3112403 -0.1507065), wk = 0.0029940 k( 43) = ( 0.4565217 0.3188315 -0.1543823), wk = 0.0029940 k( 44) = ( 0.4673913 0.3264228 -0.1580580), wk = 0.0029940 k( 45) = ( 0.4782609 0.3340140 -0.1617338), wk = 0.0029940 k( 46) = ( 0.4891304 0.3416052 -0.1654096), wk = 0.0029940 k( 47) = ( 0.5000000 0.3491965 -0.1690853), wk = 0.0029940 k( 48) = ( 0.5000000 0.3491965 -0.1690853), wk = 0.0029940 k( 49) = ( 0.5028845 0.3512110 -0.1563952), wk = 0.0029940 k( 50) = ( 0.5057690 0.3532255 -0.1437050), wk = 0.0029940 k( 51) = ( 0.5086536 0.3552400 -0.1310148), wk = 0.0029940 k( 52) = ( 0.5115381 0.3572546 -0.1183246), wk = 0.0029940 k( 53) = ( 0.5144226 0.3592691 -0.1056344), wk = 0.0029940 k( 54) = ( 0.5173071 0.3612836 -0.0929442), wk = 0.0029940 k( 55) = ( 0.5201916 0.3632981 -0.0802541), wk = 0.0029940 k( 56) = ( 0.5230761 0.3653127 -0.0675639), wk = 0.0029940 k( 57) = ( 0.5259607 0.3673272 -0.0548737), wk = 0.0029940 k( 58) = ( 0.5288452 0.3693417 -0.0421835), wk = 0.0029940 k( 59) = ( 0.5317297 0.3713562 -0.0294933), wk = 0.0029940 k( 60) = ( 0.5346142 0.3733708 -0.0168031), wk = 0.0029940 k( 61) = ( 0.5374987 0.3753853 -0.0041130), wk = 0.0029940 k( 62) = ( 0.5403832 0.3773998 0.0085772), wk = 0.0029940 k( 63) = ( 0.5403832 0.3773998 0.0085772), wk = 0.0029940 k( 64) = ( 0.5372768 0.3752303 0.0215838), wk = 0.0029940 k( 65) = ( 0.5341704 0.3730608 0.0345904), wk = 0.0029940 k( 66) = ( 0.5310640 0.3708914 0.0475969), wk = 0.0029940 k( 67) = ( 0.5279576 0.3687219 0.0606035), wk = 0.0029940 k( 68) = ( 0.5248512 0.3665524 0.0736100), wk = 0.0029940 k( 69) = ( 0.5217448 0.3643829 0.0866166), wk = 0.0029940 k( 70) = ( 0.5186384 0.3622134 0.0996232), wk = 0.0029940 k( 71) = ( 0.5155320 0.3600439 0.1126297), wk = 0.0029940 k( 72) = ( 0.5124256 0.3578744 0.1256363), wk = 0.0029940 k( 73) = ( 0.5093192 0.3557049 0.1386429), wk = 0.0029940 k( 74) = ( 0.5062128 0.3535354 0.1516494), wk = 0.0029940 k( 75) = ( 0.5031064 0.3513659 0.1646560), wk = 0.0029940 k( 76) = ( 0.5000000 0.3491965 0.1776626), wk = 0.0029940 k( 77) = ( 0.5000000 0.3491965 0.1776626), wk = 0.0029940 k( 78) = ( 0.5078566 0.3379469 0.1776626), wk = 0.0029940 k( 79) = ( 0.5157132 0.3266974 0.1776626), wk = 0.0029940 k( 80) = ( 0.5235698 0.3154478 0.1776626), wk = 0.0029940 k( 81) = ( 0.5314264 0.3041983 0.1776626), wk = 0.0029940 k( 82) = ( 0.5392830 0.2929488 0.1776626), wk = 0.0029940 k( 83) = ( 0.5471396 0.2816992 0.1776626), wk = 0.0029940 k( 84) = ( 0.5549962 0.2704497 0.1776626), wk = 0.0029940 k( 85) = ( 0.5628528 0.2592002 0.1776626), wk = 0.0029940 k( 86) = ( 0.5707094 0.2479506 0.1776626), wk = 0.0029940 k( 87) = ( 0.5785660 0.2367011 0.1776626), wk = 0.0029940 k( 88) = ( 0.5864225 0.2254516 0.1776626), wk = 0.0029940 k( 89) = ( 0.5942791 0.2142020 0.1776626), wk = 0.0029940 k( 90) = ( 0.6021357 0.2029525 0.1776626), wk = 0.0029940 k( 91) = ( 0.6099923 0.1917030 0.1776626), wk = 0.0029940 k( 92) = ( 0.6178489 0.1804534 0.1776626), wk = 0.0029940 k( 93) = ( 0.6257055 0.1692039 0.1776626), wk = 0.0029940 k( 94) = ( 0.6335621 0.1579543 0.1776626), wk = 0.0029940 k( 95) = ( 0.6414187 0.1467048 0.1776626), wk = 0.0029940 k( 96) = ( 0.6492753 0.1354553 0.1776626), wk = 0.0029940 k( 97) = ( 0.6571319 0.1242058 0.1776626), wk = 0.0029940 k( 98) = ( 0.3428681 -0.4909387 0.3467479), wk = 0.0029940 k( 99) = ( 0.3350756 -0.4797810 0.3467479), wk = 0.0029940 k( 100) = ( 0.3272832 -0.4686233 0.3467479), wk = 0.0029940 k( 101) = ( 0.3194907 -0.4574656 0.3467479), wk = 0.0029940 k( 102) = ( 0.3116983 -0.4463079 0.3467479), wk = 0.0029940 k( 103) = ( 0.3039058 -0.4351502 0.3467479), wk = 0.0029940 k( 104) = ( 0.2961133 -0.4239925 0.3467479), wk = 0.0029940 k( 105) = ( 0.2883209 -0.4128348 0.3467479), wk = 0.0029940 k( 106) = ( 0.2805284 -0.4016771 0.3467479), wk = 0.0029940 k( 107) = ( 0.2727360 -0.3905194 0.3467479), wk = 0.0029940 k( 108) = ( 0.2649435 -0.3793617 0.3467479), wk = 0.0029940 k( 109) = ( 0.2571511 -0.3682040 0.3467479), wk = 0.0029940 k( 110) = ( 0.2493586 -0.3570463 0.3467479), wk = 0.0029940 k( 111) = ( 0.2415662 -0.3458886 0.3467479), wk = 0.0029940 k( 112) = ( 0.2337737 -0.3347309 0.3467479), wk = 0.0029940 k( 113) = ( 0.2259812 -0.3235732 0.3467479), wk = 0.0029940 k( 114) = ( 0.2181888 -0.3124155 0.3467479), wk = 0.0029940 k( 115) = ( 0.2103963 -0.3012578 0.3467479), wk = 0.0029940 k( 116) = ( 0.2026039 -0.2901001 0.3467479), wk = 0.0029940 k( 117) = ( 0.1948114 -0.2789424 0.3467479), wk = 0.0029940 k( 118) = ( 0.1870190 -0.2677847 0.3467479), wk = 0.0029940 k( 119) = ( 0.1792265 -0.2566270 0.3467479), wk = 0.0029940 k( 120) = ( 0.1714340 -0.2454693 0.3467479), wk = 0.0029940 k( 121) = ( 0.1636416 -0.2343116 0.3467479), wk = 0.0029940 k( 122) = ( 0.1558491 -0.2231539 0.3467479), wk = 0.0029940 k( 123) = ( 0.1480567 -0.2119962 0.3467479), wk = 0.0029940 k( 124) = ( 0.1402642 -0.2008386 0.3467479), wk = 0.0029940 k( 125) = ( 0.1324718 -0.1896809 0.3467479), wk = 0.0029940 k( 126) = ( 0.1246793 -0.1785231 0.3467479), wk = 0.0029940 k( 127) = ( 0.1168869 -0.1673655 0.3467479), wk = 0.0029940 k( 128) = ( 0.1090944 -0.1562078 0.3467479), wk = 0.0029940 k( 129) = ( 0.1013019 -0.1450501 0.3467479), wk = 0.0029940 k( 130) = ( 0.0935095 -0.1338924 0.3467479), wk = 0.0029940 k( 131) = ( 0.0857170 -0.1227347 0.3467479), wk = 0.0029940 k( 132) = ( 0.0779246 -0.1115770 0.3467479), wk = 0.0029940 k( 133) = ( 0.0701321 -0.1004193 0.3467479), wk = 0.0029940 k( 134) = ( 0.0623397 -0.0892616 0.3467479), wk = 0.0029940 k( 135) = ( 0.0545472 -0.0781039 0.3467479), wk = 0.0029940 k( 136) = ( 0.0467547 -0.0669462 0.3467479), wk = 0.0029940 k( 137) = ( 0.0389623 -0.0557885 0.3467479), wk = 0.0029940 k( 138) = ( 0.0311698 -0.0446308 0.3467479), wk = 0.0029940 k( 139) = ( 0.0233774 -0.0334731 0.3467479), wk = 0.0029940 k( 140) = ( 0.0155849 -0.0223154 0.3467479), wk = 0.0029940 k( 141) = ( 0.0077925 -0.0111577 0.3467479), wk = 0.0029940 k( 142) = ( 0.0000000 0.0000000 0.3467479), wk = 0.0029940 k( 143) = ( 0.0000000 0.0000000 0.3467479), wk = 0.0029940 k( 144) = ( 0.0112102 0.0078291 0.3467479), wk = 0.0029940 k( 145) = ( 0.0224203 0.0156582 0.3467479), wk = 0.0029940 k( 146) = ( 0.0336305 0.0234873 0.3467479), wk = 0.0029940 k( 147) = ( 0.0448407 0.0313164 0.3467479), wk = 0.0029940 k( 148) = ( 0.0560508 0.0391455 0.3467479), wk = 0.0029940 k( 149) = ( 0.0672610 0.0469746 0.3467479), wk = 0.0029940 k( 150) = ( 0.0784712 0.0548037 0.3467479), wk = 0.0029940 k( 151) = ( 0.0896813 0.0626328 0.3467479), wk = 0.0029940 k( 152) = ( 0.1008915 0.0704619 0.3467479), wk = 0.0029940 k( 153) = ( 0.1121016 0.0782910 0.3467479), wk = 0.0029940 k( 154) = ( 0.1233118 0.0861201 0.3467479), wk = 0.0029940 k( 155) = ( 0.1345220 0.0939492 0.3467479), wk = 0.0029940 k( 156) = ( 0.1457322 0.1017783 0.3467479), wk = 0.0029940 k( 157) = ( 0.1569423 0.1096074 0.3467479), wk = 0.0029940 k( 158) = ( 0.1681525 0.1174365 0.3467479), wk = 0.0029940 k( 159) = ( 0.1793626 0.1252656 0.3467479), wk = 0.0029940 k( 160) = ( 0.1905728 0.1330947 0.3467479), wk = 0.0029940 k( 161) = ( 0.2017830 0.1409238 0.3467479), wk = 0.0029940 k( 162) = ( 0.2129931 0.1487529 0.3467479), wk = 0.0029940 k( 163) = ( 0.2242033 0.1565820 0.3467479), wk = 0.0029940 k( 164) = ( 0.2354135 0.1644111 0.3467479), wk = 0.0029940 k( 165) = ( 0.2466236 0.1722402 0.3467479), wk = 0.0029940 k( 166) = ( 0.2578338 0.1800693 0.3467479), wk = 0.0029940 k( 167) = ( 0.2690440 0.1878984 0.3467479), wk = 0.0029940 k( 168) = ( 0.2802541 0.1957275 0.3467479), wk = 0.0029940 k( 169) = ( 0.2914643 0.2035566 0.3467479), wk = 0.0029940 k( 170) = ( 0.3026745 0.2113857 0.3467479), wk = 0.0029940 k( 171) = ( 0.3138846 0.2192148 0.3467479), wk = 0.0029940 k( 172) = ( 0.3250948 0.2270439 0.3467479), wk = 0.0029940 k( 173) = ( 0.3363049 0.2348730 0.3467479), wk = 0.0029940 k( 174) = ( 0.3475151 0.2427021 0.3467479), wk = 0.0029940 k( 175) = ( 0.3587253 0.2505312 0.3467479), wk = 0.0029940 k( 176) = ( 0.3699354 0.2583603 0.3467479), wk = 0.0029940 k( 177) = ( 0.3811456 0.2661894 0.3467479), wk = 0.0029940 k( 178) = ( 0.3923558 0.2740185 0.3467479), wk = 0.0029940 k( 179) = ( 0.4035659 0.2818476 0.3467479), wk = 0.0029940 k( 180) = ( 0.4147761 0.2896767 0.3467479), wk = 0.0029940 k( 181) = ( 0.4259863 0.2975058 0.3467479), wk = 0.0029940 k( 182) = ( 0.4371964 0.3053349 0.3467479), wk = 0.0029940 k( 183) = ( 0.4484066 0.3131640 0.3467479), wk = 0.0029940 k( 184) = ( 0.4596168 0.3209931 0.3467479), wk = 0.0029940 k( 185) = ( 0.5000000 0.3491965 -0.1690853), wk = 0.0029940 k( 186) = ( 0.5079126 0.3378667 -0.1690853), wk = 0.0029940 k( 187) = ( 0.5158252 0.3265370 -0.1690853), wk = 0.0029940 k( 188) = ( 0.5237378 0.3152073 -0.1690853), wk = 0.0029940 k( 189) = ( 0.5316503 0.3038776 -0.1690853), wk = 0.0029940 k( 190) = ( 0.5395629 0.2925479 -0.1690853), wk = 0.0029940 k( 191) = ( 0.5474755 0.2812182 -0.1690853), wk = 0.0029940 k( 192) = ( 0.5553881 0.2698885 -0.1690853), wk = 0.0029940 k( 193) = ( 0.5633007 0.2585588 -0.1690853), wk = 0.0029940 k( 194) = ( 0.5712133 0.2472291 -0.1690853), wk = 0.0029940 k( 195) = ( 0.5791259 0.2358994 -0.1690853), wk = 0.0029940 k( 196) = ( 0.5870384 0.2245697 -0.1690853), wk = 0.0029940 k( 197) = ( 0.5949510 0.2132400 -0.1690853), wk = 0.0029940 k( 198) = ( 0.6028636 0.2019103 -0.1690853), wk = 0.0029940 k( 199) = ( 0.6107762 0.1905806 -0.1690853), wk = 0.0029940 k( 200) = ( 0.6186888 0.1792509 -0.1690853), wk = 0.0029940 k( 201) = ( 0.3813112 -0.5459838 -0.0000000), wk = 0.0029940 k( 202) = ( 0.3735293 -0.5348413 -0.0000000), wk = 0.0029940 k( 203) = ( 0.3657475 -0.5236987 -0.0000000), wk = 0.0029940 k( 204) = ( 0.3579656 -0.5125562 -0.0000000), wk = 0.0029940 k( 205) = ( 0.3501838 -0.5014137 -0.0000000), wk = 0.0029940 k( 206) = ( 0.3424019 -0.4902712 -0.0000000), wk = 0.0029940 k( 207) = ( 0.3346200 -0.4791286 -0.0000000), wk = 0.0029940 k( 208) = ( 0.3268382 -0.4679861 -0.0000000), wk = 0.0029940 k( 209) = ( 0.3190563 -0.4568436 -0.0000000), wk = 0.0029940 k( 210) = ( 0.3112745 -0.4457011 -0.0000000), wk = 0.0029940 k( 211) = ( 0.3034926 -0.4345585 -0.0000000), wk = 0.0029940 k( 212) = ( 0.2957107 -0.4234160 -0.0000000), wk = 0.0029940 k( 213) = ( 0.2879289 -0.4122735 -0.0000000), wk = 0.0029940 k( 214) = ( 0.2801470 -0.4011310 -0.0000000), wk = 0.0029940 k( 215) = ( 0.2723652 -0.3899884 -0.0000000), wk = 0.0029940 k( 216) = ( 0.2645833 -0.3788459 -0.0000000), wk = 0.0029940 k( 217) = ( 0.2568014 -0.3677034 -0.0000000), wk = 0.0029940 k( 218) = ( 0.2490196 -0.3565608 -0.0000000), wk = 0.0029940 k( 219) = ( 0.2412377 -0.3454183 -0.0000000), wk = 0.0029940 k( 220) = ( 0.2334558 -0.3342758 -0.0000000), wk = 0.0029940 k( 221) = ( 0.2256740 -0.3231333 -0.0000000), wk = 0.0029940 k( 222) = ( 0.2178921 -0.3119907 -0.0000000), wk = 0.0029940 k( 223) = ( 0.2101103 -0.3008482 -0.0000000), wk = 0.0029940 k( 224) = ( 0.2023284 -0.2897057 -0.0000000), wk = 0.0029940 k( 225) = ( 0.1945465 -0.2785632 -0.0000000), wk = 0.0029940 k( 226) = ( 0.1867647 -0.2674206 -0.0000000), wk = 0.0029940 k( 227) = ( 0.1789828 -0.2562781 -0.0000000), wk = 0.0029940 k( 228) = ( 0.1712009 -0.2451356 -0.0000000), wk = 0.0029940 k( 229) = ( 0.1634191 -0.2339931 -0.0000000), wk = 0.0029940 k( 230) = ( 0.1556372 -0.2228505 -0.0000000), wk = 0.0029940 k( 231) = ( 0.1478554 -0.2117080 -0.0000000), wk = 0.0029940 k( 232) = ( 0.1400735 -0.2005655 -0.0000000), wk = 0.0029940 k( 233) = ( 0.1322916 -0.1894229 -0.0000000), wk = 0.0029940 k( 234) = ( 0.1245098 -0.1782804 -0.0000000), wk = 0.0029940 k( 235) = ( 0.1167279 -0.1671379 -0.0000000), wk = 0.0029940 k( 236) = ( 0.1089461 -0.1559954 -0.0000000), wk = 0.0029940 k( 237) = ( 0.1011642 -0.1448528 -0.0000000), wk = 0.0029940 k( 238) = ( 0.0933823 -0.1337103 -0.0000000), wk = 0.0029940 k( 239) = ( 0.0856005 -0.1225678 -0.0000000), wk = 0.0029940 k( 240) = ( 0.0778186 -0.1114253 -0.0000000), wk = 0.0029940 k( 241) = ( 0.0700367 -0.1002827 -0.0000000), wk = 0.0029940 k( 242) = ( 0.0622549 -0.0891402 -0.0000000), wk = 0.0029940 k( 243) = ( 0.0544730 -0.0779977 -0.0000000), wk = 0.0029940 k( 244) = ( 0.0466912 -0.0668552 -0.0000000), wk = 0.0029940 k( 245) = ( 0.0389093 -0.0557126 -0.0000000), wk = 0.0029940 k( 246) = ( 0.0311275 -0.0445701 -0.0000000), wk = 0.0029940 k( 247) = ( 0.0233456 -0.0334276 -0.0000000), wk = 0.0029940 k( 248) = ( 0.0155637 -0.0222850 -0.0000000), wk = 0.0029940 k( 249) = ( 0.0077819 -0.0111425 -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 -0.0047017 -0.0021678), wk = 0.0029940 k( 253) = ( 0.0256410 -0.0094034 -0.0043355), wk = 0.0029940 k( 254) = ( 0.0384615 -0.0141051 -0.0065033), wk = 0.0029940 k( 255) = ( 0.0512821 -0.0188068 -0.0086710), wk = 0.0029940 k( 256) = ( 0.0641026 -0.0235085 -0.0108388), wk = 0.0029940 k( 257) = ( 0.0769231 -0.0282102 -0.0130066), wk = 0.0029940 k( 258) = ( 0.0897436 -0.0329119 -0.0151743), wk = 0.0029940 k( 259) = ( 0.1025641 -0.0376136 -0.0173421), wk = 0.0029940 k( 260) = ( 0.1153846 -0.0423153 -0.0195098), wk = 0.0029940 k( 261) = ( 0.1282051 -0.0470170 -0.0216776), wk = 0.0029940 k( 262) = ( 0.1410256 -0.0517187 -0.0238454), wk = 0.0029940 k( 263) = ( 0.1538461 -0.0564204 -0.0260131), wk = 0.0029940 k( 264) = ( 0.1666667 -0.0611222 -0.0281809), wk = 0.0029940 k( 265) = ( 0.1794872 -0.0658239 -0.0303486), wk = 0.0029940 k( 266) = ( 0.1923077 -0.0705256 -0.0325164), wk = 0.0029940 k( 267) = ( 0.2051282 -0.0752273 -0.0346842), wk = 0.0029940 k( 268) = ( 0.2179487 -0.0799290 -0.0368519), wk = 0.0029940 k( 269) = ( 0.2307692 -0.0846307 -0.0390197), wk = 0.0029940 k( 270) = ( 0.2435897 -0.0893324 -0.0411875), wk = 0.0029940 k( 271) = ( 0.2564103 -0.0940341 -0.0433552), wk = 0.0029940 k( 272) = ( 0.2692308 -0.0987358 -0.0455230), wk = 0.0029940 k( 273) = ( 0.2820513 -0.1034375 -0.0476907), wk = 0.0029940 k( 274) = ( 0.2948718 -0.1081392 -0.0498585), wk = 0.0029940 k( 275) = ( 0.3076923 -0.1128409 -0.0520263), wk = 0.0029940 k( 276) = ( 0.3205128 -0.1175426 -0.0541940), wk = 0.0029940 k( 277) = ( 0.3333333 -0.1222443 -0.0563618), wk = 0.0029940 k( 278) = ( 0.3461538 -0.1269460 -0.0585295), wk = 0.0029940 k( 279) = ( 0.3589744 -0.1316477 -0.0606973), wk = 0.0029940 k( 280) = ( 0.3717949 -0.1363494 -0.0628651), wk = 0.0029940 k( 281) = ( 0.3846154 -0.1410511 -0.0650328), wk = 0.0029940 k( 282) = ( 0.3974359 -0.1457528 -0.0672006), wk = 0.0029940 k( 283) = ( 0.4102564 -0.1504545 -0.0693683), wk = 0.0029940 k( 284) = ( 0.4230769 -0.1551562 -0.0715361), wk = 0.0029940 k( 285) = ( 0.4358974 -0.1598579 -0.0737039), wk = 0.0029940 k( 286) = ( 0.4487179 -0.1645596 -0.0758716), wk = 0.0029940 k( 287) = ( 0.4615385 -0.1692614 -0.0780394), wk = 0.0029940 k( 288) = ( 0.4743590 -0.1739631 -0.0802071), wk = 0.0029940 k( 289) = ( 0.4871795 -0.1786648 -0.0823749), wk = 0.0029940 k( 290) = ( 0.5000000 -0.1833665 -0.0845427), wk = 0.0029940 k( 291) = ( 0.5000000 -0.1833665 0.2622052), wk = 0.0029940 k( 292) = ( 0.4883721 -0.1791021 0.2561074), wk = 0.0029940 k( 293) = ( 0.4767442 -0.1748378 0.2500096), wk = 0.0029940 k( 294) = ( 0.4651163 -0.1705735 0.2439118), wk = 0.0029940 k( 295) = ( 0.4534884 -0.1663091 0.2378140), wk = 0.0029940 k( 296) = ( 0.4418605 -0.1620448 0.2317162), wk = 0.0029940 k( 297) = ( 0.4302326 -0.1577804 0.2256184), wk = 0.0029940 k( 298) = ( 0.4186047 -0.1535161 0.2195206), wk = 0.0029940 k( 299) = ( 0.4069767 -0.1492518 0.2134229), wk = 0.0029940 k( 300) = ( 0.3953488 -0.1449874 0.2073251), wk = 0.0029940 k( 301) = ( 0.3837209 -0.1407231 0.2012273), wk = 0.0029940 k( 302) = ( 0.3720930 -0.1364588 0.1951295), wk = 0.0029940 k( 303) = ( 0.3604651 -0.1321944 0.1890317), wk = 0.0029940 k( 304) = ( 0.3488372 -0.1279301 0.1829339), wk = 0.0029940 k( 305) = ( 0.3372093 -0.1236658 0.1768361), wk = 0.0029940 k( 306) = ( 0.3255814 -0.1194014 0.1707383), wk = 0.0029940 k( 307) = ( 0.3139535 -0.1151371 0.1646405), wk = 0.0029940 k( 308) = ( 0.3023256 -0.1108727 0.1585427), wk = 0.0029940 k( 309) = ( 0.2906977 -0.1066084 0.1524449), wk = 0.0029940 k( 310) = ( 0.2790698 -0.1023441 0.1463471), wk = 0.0029940 k( 311) = ( 0.2674419 -0.0980797 0.1402493), wk = 0.0029940 k( 312) = ( 0.2558140 -0.0938154 0.1341515), wk = 0.0029940 k( 313) = ( 0.2441860 -0.0895511 0.1280537), wk = 0.0029940 k( 314) = ( 0.2325581 -0.0852867 0.1219559), wk = 0.0029940 k( 315) = ( 0.2209302 -0.0810224 0.1158581), wk = 0.0029940 k( 316) = ( 0.2093023 -0.0767581 0.1097603), wk = 0.0029940 k( 317) = ( 0.1976744 -0.0724937 0.1036625), wk = 0.0029940 k( 318) = ( 0.1860465 -0.0682294 0.0975647), wk = 0.0029940 k( 319) = ( 0.1744186 -0.0639650 0.0914669), wk = 0.0029940 k( 320) = ( 0.1627907 -0.0597007 0.0853691), wk = 0.0029940 k( 321) = ( 0.1511628 -0.0554364 0.0792713), wk = 0.0029940 k( 322) = ( 0.1395349 -0.0511720 0.0731735), wk = 0.0029940 k( 323) = ( 0.1279070 -0.0469077 0.0670758), wk = 0.0029940 k( 324) = ( 0.1162791 -0.0426434 0.0609780), wk = 0.0029940 k( 325) = ( 0.1046512 -0.0383790 0.0548802), wk = 0.0029940 k( 326) = ( 0.0930233 -0.0341147 0.0487824), wk = 0.0029940 k( 327) = ( 0.0813954 -0.0298504 0.0426846), wk = 0.0029940 k( 328) = ( 0.0697674 -0.0255860 0.0365868), wk = 0.0029940 k( 329) = ( 0.0581395 -0.0213217 0.0304890), wk = 0.0029940 k( 330) = ( 0.0465116 -0.0170573 0.0243912), wk = 0.0029940 k( 331) = ( 0.0348837 -0.0127930 0.0182934), wk = 0.0029940 k( 332) = ( 0.0232558 -0.0085287 0.0121956), wk = 0.0029940 k( 333) = ( 0.0116279 -0.0042643 0.0060978), 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 0.3586956 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) = ( 0.5028845 0.5028845 0.0197054), wk = 0.0029940 k( 50) = ( 0.5057690 0.5057690 0.0394109), wk = 0.0029940 k( 51) = ( 0.5086536 0.5086536 0.0591163), wk = 0.0029940 k( 52) = ( 0.5115381 0.5115381 0.0788218), wk = 0.0029940 k( 53) = ( 0.5144226 0.5144226 0.0985272), wk = 0.0029940 k( 54) = ( 0.5173071 0.5173071 0.1182327), wk = 0.0029940 k( 55) = ( 0.5201916 0.5201916 0.1379381), wk = 0.0029940 k( 56) = ( 0.5230761 0.5230761 0.1576435), wk = 0.0029940 k( 57) = ( 0.5259607 0.5259607 0.1773490), wk = 0.0029940 k( 58) = ( 0.5288452 0.5288452 0.1970544), wk = 0.0029940 k( 59) = ( 0.5317297 0.5317297 0.2167599), wk = 0.0029940 k( 60) = ( 0.5346142 0.5346142 0.2364653), wk = 0.0029940 k( 61) = ( 0.5374987 0.5374987 0.2561708), wk = 0.0029940 k( 62) = ( 0.5403832 0.5403832 0.2758762), wk = 0.0029940 k( 63) = ( 0.5403832 0.5403832 0.2758762), wk = 0.0029940 k( 64) = ( 0.5372768 0.5372768 0.2931165), wk = 0.0029940 k( 65) = ( 0.5341704 0.5341704 0.3103568), wk = 0.0029940 k( 66) = ( 0.5310640 0.5310640 0.3275971), wk = 0.0029940 k( 67) = ( 0.5279576 0.5279576 0.3448374), wk = 0.0029940 k( 68) = ( 0.5248512 0.5248512 0.3620777), wk = 0.0029940 k( 69) = ( 0.5217448 0.5217448 0.3793180), wk = 0.0029940 k( 70) = ( 0.5186384 0.5186384 0.3965583), wk = 0.0029940 k( 71) = ( 0.5155320 0.5155320 0.4137985), wk = 0.0029940 k( 72) = ( 0.5124256 0.5124256 0.4310388), wk = 0.0029940 k( 73) = ( 0.5093192 0.5093192 0.4482791), wk = 0.0029940 k( 74) = ( 0.5062128 0.5062128 0.4655194), wk = 0.0029940 k( 75) = ( 0.5031064 0.5031064 0.4827597), 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) = ( 0.5078566 0.4921434 0.5000000), wk = 0.0029940 k( 79) = ( 0.5157132 0.4842868 0.5000000), wk = 0.0029940 k( 80) = ( 0.5235698 0.4764302 0.5000000), wk = 0.0029940 k( 81) = ( 0.5314264 0.4685736 0.5000000), wk = 0.0029940 k( 82) = ( 0.5392830 0.4607170 0.5000000), wk = 0.0029940 k( 83) = ( 0.5471396 0.4528604 0.5000000), wk = 0.0029940 k( 84) = ( 0.5549962 0.4450038 0.5000000), wk = 0.0029940 k( 85) = ( 0.5628528 0.4371472 0.5000000), wk = 0.0029940 k( 86) = ( 0.5707094 0.4292906 0.5000000), wk = 0.0029940 k( 87) = ( 0.5785660 0.4214340 0.5000000), wk = 0.0029940 k( 88) = ( 0.5864225 0.4135775 0.5000000), wk = 0.0029940 k( 89) = ( 0.5942791 0.4057209 0.5000000), wk = 0.0029940 k( 90) = ( 0.6021357 0.3978643 0.5000000), wk = 0.0029940 k( 91) = ( 0.6099923 0.3900077 0.5000000), wk = 0.0029940 k( 92) = ( 0.6178489 0.3821511 0.5000000), wk = 0.0029940 k( 93) = ( 0.6257055 0.3742945 0.5000000), wk = 0.0029940 k( 94) = ( 0.6335621 0.3664379 0.5000000), wk = 0.0029940 k( 95) = ( 0.6414187 0.3585813 0.5000000), wk = 0.0029940 k( 96) = ( 0.6492753 0.3507247 0.5000000), wk = 0.0029940 k( 97) = ( 0.6571319 0.3428681 0.5000000), wk = 0.0029940 k( 98) = ( 0.3428681 -0.3428681 0.5000000), wk = 0.0029940 k( 99) = ( 0.3350756 -0.3350756 0.5000000), wk = 0.0029940 k( 100) = ( 0.3272832 -0.3272832 0.5000000), wk = 0.0029940 k( 101) = ( 0.3194907 -0.3194907 0.5000000), wk = 0.0029940 k( 102) = ( 0.3116983 -0.3116983 0.5000000), wk = 0.0029940 k( 103) = ( 0.3039058 -0.3039058 0.5000000), wk = 0.0029940 k( 104) = ( 0.2961133 -0.2961133 0.5000000), wk = 0.0029940 k( 105) = ( 0.2883209 -0.2883209 0.5000000), wk = 0.0029940 k( 106) = ( 0.2805284 -0.2805284 0.5000000), wk = 0.0029940 k( 107) = ( 0.2727360 -0.2727360 0.5000000), wk = 0.0029940 k( 108) = ( 0.2649435 -0.2649435 0.5000000), wk = 0.0029940 k( 109) = ( 0.2571511 -0.2571511 0.5000000), wk = 0.0029940 k( 110) = ( 0.2493586 -0.2493586 0.5000000), wk = 0.0029940 k( 111) = ( 0.2415662 -0.2415661 0.5000000), wk = 0.0029940 k( 112) = ( 0.2337737 -0.2337737 0.5000000), wk = 0.0029940 k( 113) = ( 0.2259812 -0.2259812 0.5000000), wk = 0.0029940 k( 114) = ( 0.2181888 -0.2181888 0.5000000), wk = 0.0029940 k( 115) = ( 0.2103963 -0.2103963 0.5000000), wk = 0.0029940 k( 116) = ( 0.2026039 -0.2026039 0.5000000), wk = 0.0029940 k( 117) = ( 0.1948114 -0.1948114 0.5000000), wk = 0.0029940 k( 118) = ( 0.1870190 -0.1870190 0.5000000), wk = 0.0029940 k( 119) = ( 0.1792265 -0.1792265 0.5000000), wk = 0.0029940 k( 120) = ( 0.1714340 -0.1714340 0.5000000), wk = 0.0029940 k( 121) = ( 0.1636416 -0.1636416 0.5000000), wk = 0.0029940 k( 122) = ( 0.1558491 -0.1558491 0.5000000), wk = 0.0029940 k( 123) = ( 0.1480567 -0.1480567 0.5000000), wk = 0.0029940 k( 124) = ( 0.1402642 -0.1402642 0.5000000), wk = 0.0029940 k( 125) = ( 0.1324718 -0.1324718 0.5000000), wk = 0.0029940 k( 126) = ( 0.1246793 -0.1246793 0.5000000), wk = 0.0029940 k( 127) = ( 0.1168869 -0.1168868 0.5000000), wk = 0.0029940 k( 128) = ( 0.1090944 -0.1090944 0.5000000), wk = 0.0029940 k( 129) = ( 0.1013019 -0.1013019 0.5000000), wk = 0.0029940 k( 130) = ( 0.0935095 -0.0935095 0.5000000), wk = 0.0029940 k( 131) = ( 0.0857170 -0.0857170 0.5000000), wk = 0.0029940 k( 132) = ( 0.0779246 -0.0779246 0.5000000), wk = 0.0029940 k( 133) = ( 0.0701321 -0.0701321 0.5000000), wk = 0.0029940 k( 134) = ( 0.0623397 -0.0623396 0.5000000), wk = 0.0029940 k( 135) = ( 0.0545472 -0.0545472 0.5000000), wk = 0.0029940 k( 136) = ( 0.0467547 -0.0467547 0.5000000), wk = 0.0029940 k( 137) = ( 0.0389623 -0.0389623 0.5000000), wk = 0.0029940 k( 138) = ( 0.0311698 -0.0311698 0.5000000), wk = 0.0029940 k( 139) = ( 0.0233774 -0.0233774 0.5000000), wk = 0.0029940 k( 140) = ( 0.0155849 -0.0155849 0.5000000), wk = 0.0029940 k( 141) = ( 0.0077925 -0.0077925 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) = ( 0.0112102 0.0112102 0.5054664), wk = 0.0029940 k( 145) = ( 0.0224203 0.0224203 0.5109329), wk = 0.0029940 k( 146) = ( 0.0336305 0.0336305 0.5163993), wk = 0.0029940 k( 147) = ( 0.0448407 0.0448407 0.5218657), wk = 0.0029940 k( 148) = ( 0.0560508 0.0560508 0.5273322), wk = 0.0029940 k( 149) = ( 0.0672610 0.0672610 0.5327986), wk = 0.0029940 k( 150) = ( 0.0784712 0.0784712 0.5382650), wk = 0.0029940 k( 151) = ( 0.0896813 0.0896813 0.5437315), wk = 0.0029940 k( 152) = ( 0.1008915 0.1008915 0.5491979), wk = 0.0029940 k( 153) = ( 0.1121016 0.1121016 0.5546643), wk = 0.0029940 k( 154) = ( 0.1233118 0.1233118 0.5601308), wk = 0.0029940 k( 155) = ( 0.1345220 0.1345220 0.5655972), wk = 0.0029940 k( 156) = ( 0.1457322 0.1457322 0.5710636), wk = 0.0029940 k( 157) = ( 0.1569423 0.1569423 0.5765301), wk = 0.0029940 k( 158) = ( 0.1681525 0.1681525 0.5819965), wk = 0.0029940 k( 159) = ( 0.1793626 0.1793626 0.5874630), wk = 0.0029940 k( 160) = ( 0.1905728 0.1905728 0.5929294), wk = 0.0029940 k( 161) = ( 0.2017830 0.2017830 0.5983958), wk = 0.0029940 k( 162) = ( 0.2129931 0.2129931 0.6038623), wk = 0.0029940 k( 163) = ( 0.2242033 0.2242033 0.6093287), wk = 0.0029940 k( 164) = ( 0.2354135 0.2354135 0.6147951), wk = 0.0029940 k( 165) = ( 0.2466236 0.2466236 0.6202615), wk = 0.0029940 k( 166) = ( 0.2578338 0.2578338 0.6257280), wk = 0.0029940 k( 167) = ( 0.2690440 0.2690440 0.6311944), wk = 0.0029940 k( 168) = ( 0.2802541 0.2802541 0.6366608), wk = 0.0029940 k( 169) = ( 0.2914643 0.2914643 0.6421273), wk = 0.0029940 k( 170) = ( 0.3026745 0.3026745 0.6475937), wk = 0.0029940 k( 171) = ( 0.3138846 0.3138846 0.6530601), wk = 0.0029940 k( 172) = ( 0.3250948 0.3250948 0.6585266), wk = 0.0029940 k( 173) = ( 0.3363049 0.3363049 0.6639930), wk = 0.0029940 k( 174) = ( 0.3475151 0.3475151 0.6694595), wk = 0.0029940 k( 175) = ( 0.3587253 0.3587253 0.6749259), wk = 0.0029940 k( 176) = ( 0.3699354 0.3699354 0.6803923), wk = 0.0029940 k( 177) = ( 0.3811456 0.3811456 0.6858588), wk = 0.0029940 k( 178) = ( 0.3923558 0.3923558 0.6913252), wk = 0.0029940 k( 179) = ( 0.4035659 0.4035659 0.6967916), wk = 0.0029940 k( 180) = ( 0.4147761 0.4147761 0.7022581), wk = 0.0029940 k( 181) = ( 0.4259863 0.4259863 0.7077245), wk = 0.0029940 k( 182) = ( 0.4371964 0.4371964 0.7131909), wk = 0.0029940 k( 183) = ( 0.4484066 0.4484066 0.7186574), wk = 0.0029940 k( 184) = ( 0.4596168 0.4596168 0.7241238), wk = 0.0029940 k( 185) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0029940 k( 186) = ( 0.5079126 0.4920874 -0.0000000), wk = 0.0029940 k( 187) = ( 0.5158252 0.4841748 -0.0000000), wk = 0.0029940 k( 188) = ( 0.5237378 0.4762622 0.0000000), wk = 0.0029940 k( 189) = ( 0.5316503 0.4683497 -0.0000000), wk = 0.0029940 k( 190) = ( 0.5395629 0.4604371 -0.0000000), wk = 0.0029940 k( 191) = ( 0.5474755 0.4525245 0.0000000), wk = 0.0029940 k( 192) = ( 0.5553881 0.4446119 0.0000000), wk = 0.0029940 k( 193) = ( 0.5633007 0.4366993 0.0000000), wk = 0.0029940 k( 194) = ( 0.5712133 0.4287867 -0.0000000), wk = 0.0029940 k( 195) = ( 0.5791259 0.4208741 0.0000000), wk = 0.0029940 k( 196) = ( 0.5870384 0.4129616 -0.0000000), wk = 0.0029940 k( 197) = ( 0.5949510 0.4050490 0.0000000), wk = 0.0029940 k( 198) = ( 0.6028636 0.3971364 0.0000000), wk = 0.0029940 k( 199) = ( 0.6107762 0.3892238 0.0000000), wk = 0.0029940 k( 200) = ( 0.6186888 0.3813112 -0.0000000), wk = 0.0029940 k( 201) = ( 0.3813112 -0.3813112 0.0000000), wk = 0.0029940 k( 202) = ( 0.3735293 -0.3735293 0.0000000), wk = 0.0029940 k( 203) = ( 0.3657475 -0.3657475 0.0000000), wk = 0.0029940 k( 204) = ( 0.3579656 -0.3579656 0.0000000), wk = 0.0029940 k( 205) = ( 0.3501838 -0.3501838 0.0000000), wk = 0.0029940 k( 206) = ( 0.3424019 -0.3424019 0.0000000), wk = 0.0029940 k( 207) = ( 0.3346200 -0.3346200 0.0000000), wk = 0.0029940 k( 208) = ( 0.3268382 -0.3268382 0.0000000), wk = 0.0029940 k( 209) = ( 0.3190563 -0.3190563 0.0000000), wk = 0.0029940 k( 210) = ( 0.3112745 -0.3112745 0.0000000), wk = 0.0029940 k( 211) = ( 0.3034926 -0.3034926 0.0000000), wk = 0.0029940 k( 212) = ( 0.2957107 -0.2957107 0.0000000), wk = 0.0029940 k( 213) = ( 0.2879289 -0.2879289 0.0000000), wk = 0.0029940 k( 214) = ( 0.2801470 -0.2801470 0.0000000), wk = 0.0029940 k( 215) = ( 0.2723652 -0.2723652 0.0000000), wk = 0.0029940 k( 216) = ( 0.2645833 -0.2645833 0.0000000), wk = 0.0029940 k( 217) = ( 0.2568014 -0.2568014 0.0000000), wk = 0.0029940 k( 218) = ( 0.2490196 -0.2490196 0.0000000), wk = 0.0029940 k( 219) = ( 0.2412377 -0.2412377 0.0000000), wk = 0.0029940 k( 220) = ( 0.2334558 -0.2334558 0.0000000), wk = 0.0029940 k( 221) = ( 0.2256740 -0.2256740 0.0000000), wk = 0.0029940 k( 222) = ( 0.2178921 -0.2178921 0.0000000), wk = 0.0029940 k( 223) = ( 0.2101103 -0.2101103 -0.0000000), wk = 0.0029940 k( 224) = ( 0.2023284 -0.2023284 0.0000000), wk = 0.0029940 k( 225) = ( 0.1945465 -0.1945465 0.0000000), wk = 0.0029940 k( 226) = ( 0.1867647 -0.1867647 0.0000000), wk = 0.0029940 k( 227) = ( 0.1789828 -0.1789828 0.0000000), wk = 0.0029940 k( 228) = ( 0.1712009 -0.1712009 0.0000000), wk = 0.0029940 k( 229) = ( 0.1634191 -0.1634191 0.0000000), wk = 0.0029940 k( 230) = ( 0.1556372 -0.1556372 0.0000000), wk = 0.0029940 k( 231) = ( 0.1478554 -0.1478554 0.0000000), wk = 0.0029940 k( 232) = ( 0.1400735 -0.1400735 0.0000000), wk = 0.0029940 k( 233) = ( 0.1322916 -0.1322916 0.0000000), wk = 0.0029940 k( 234) = ( 0.1245098 -0.1245098 0.0000000), wk = 0.0029940 k( 235) = ( 0.1167279 -0.1167279 0.0000000), wk = 0.0029940 k( 236) = ( 0.1089461 -0.1089461 0.0000000), wk = 0.0029940 k( 237) = ( 0.1011642 -0.1011642 0.0000000), wk = 0.0029940 k( 238) = ( 0.0933823 -0.0933823 0.0000000), wk = 0.0029940 k( 239) = ( 0.0856005 -0.0856005 0.0000000), wk = 0.0029940 k( 240) = ( 0.0778186 -0.0778186 0.0000000), wk = 0.0029940 k( 241) = ( 0.0700367 -0.0700367 0.0000000), wk = 0.0029940 k( 242) = ( 0.0622549 -0.0622549 0.0000000), wk = 0.0029940 k( 243) = ( 0.0544730 -0.0544730 0.0000000), wk = 0.0029940 k( 244) = ( 0.0466912 -0.0466912 0.0000000), wk = 0.0029940 k( 245) = ( 0.0389093 -0.0389093 0.0000000), wk = 0.0029940 k( 246) = ( 0.0311275 -0.0311275 0.0000000), wk = 0.0029940 k( 247) = ( 0.0233456 -0.0233456 0.0000000), wk = 0.0029940 k( 248) = ( 0.0155637 -0.0155637 0.0000000), wk = 0.0029940 k( 249) = ( 0.0077819 -0.0077819 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: 74545 G-vectors FFT dimensions: ( 48, 48, 72) Smooth grid: 32805 G-vectors FFT dimensions: ( 36, 36, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 186, 60) NL pseudopotentials 0.20 Mb ( 93, 142) Each V/rho on FFT grid 0.07 Mb ( 4608) Each G-vector array 0.01 Mb ( 1554) G-vector shells 0.01 Mb ( 1545) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.68 Mb ( 186, 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): 4.787E-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 41.9 secs Computing kpt #: 2 total cpu time spent up to now is 44.7 secs Computing kpt #: 3 total cpu time spent up to now is 47.6 secs Computing kpt #: 4 total cpu time spent up to now is 50.4 secs Computing kpt #: 5 total cpu time spent up to now is 53.4 secs Computing kpt #: 6 total cpu time spent up to now is 56.2 secs Computing kpt #: 7 total cpu time spent up to now is 59.2 secs Computing kpt #: 8 total cpu time spent up to now is 62.2 secs Computing kpt #: 9 total cpu time spent up to now is 65.2 secs Computing kpt #: 10 total cpu time spent up to now is 68.2 secs Computing kpt #: 11 total cpu time spent up to now is 71.3 secs Computing kpt #: 12 total cpu time spent up to now is 74.3 secs Computing kpt #: 13 total cpu time spent up to now is 77.3 secs Computing kpt #: 14 total cpu time spent up to now is 80.3 secs Computing kpt #: 15 total cpu time spent up to now is 83.3 secs Computing kpt #: 16 total cpu time spent up to now is 86.5 secs Computing kpt #: 17 total cpu time spent up to now is 89.9 secs Computing kpt #: 18 total cpu time spent up to now is 93.5 secs Computing kpt #: 19 total cpu time spent up to now is 96.5 secs Computing kpt #: 20 total cpu time spent up to now is 99.5 secs Computing kpt #: 21 total cpu time spent up to now is 102.5 secs Computing kpt #: 22 total cpu time spent up to now is 105.5 secs Computing kpt #: 23 total cpu time spent up to now is 108.5 secs Computing kpt #: 24 total cpu time spent up to now is 111.6 secs Computing kpt #: 25 total cpu time spent up to now is 114.7 secs Computing kpt #: 26 total cpu time spent up to now is 117.7 secs Computing kpt #: 27 total cpu time spent up to now is 120.7 secs Computing kpt #: 28 total cpu time spent up to now is 123.4 secs Computing kpt #: 29 total cpu time spent up to now is 126.1 secs Computing kpt #: 30 total cpu time spent up to now is 128.7 secs Computing kpt #: 31 total cpu time spent up to now is 131.3 secs Computing kpt #: 32 total cpu time spent up to now is 133.9 secs Computing kpt #: 33 total cpu time spent up to now is 136.5 secs Computing kpt #: 34 total cpu time spent up to now is 139.1 secs Computing kpt #: 35 total cpu time spent up to now is 141.6 secs Computing kpt #: 36 total cpu time spent up to now is 144.0 secs Computing kpt #: 37 total cpu time spent up to now is 146.4 secs Computing kpt #: 38 total cpu time spent up to now is 149.0 secs Computing kpt #: 39 total cpu time spent up to now is 151.4 secs Computing kpt #: 40 total cpu time spent up to now is 153.9 secs Computing kpt #: 41 total cpu time spent up to now is 156.4 secs Computing kpt #: 42 total cpu time spent up to now is 158.8 secs Computing kpt #: 43 total cpu time spent up to now is 161.3 secs Computing kpt #: 44 total cpu time spent up to now is 163.7 secs Computing kpt #: 45 total cpu time spent up to now is 166.0 secs Computing kpt #: 46 total cpu time spent up to now is 168.4 secs Computing kpt #: 47 total cpu time spent up to now is 170.7 secs Computing kpt #: 48 total cpu time spent up to now is 173.1 secs Computing kpt #: 49 total cpu time spent up to now is 175.6 secs Computing kpt #: 50 total cpu time spent up to now is 178.0 secs Computing kpt #: 51 total cpu time spent up to now is 180.5 secs Computing kpt #: 52 total cpu time spent up to now is 182.9 secs Computing kpt #: 53 total cpu time spent up to now is 185.2 secs Computing kpt #: 54 total cpu time spent up to now is 187.6 secs Computing kpt #: 55 total cpu time spent up to now is 189.9 secs Computing kpt #: 56 total cpu time spent up to now is 192.3 secs Computing kpt #: 57 total cpu time spent up to now is 194.7 secs Computing kpt #: 58 total cpu time spent up to now is 197.0 secs Computing kpt #: 59 total cpu time spent up to now is 199.4 secs Computing kpt #: 60 total cpu time spent up to now is 201.8 secs Computing kpt #: 61 total cpu time spent up to now is 204.5 secs Computing kpt #: 62 total cpu time spent up to now is 206.8 secs Computing kpt #: 63 total cpu time spent up to now is 209.2 secs Computing kpt #: 64 total cpu time spent up to now is 211.8 secs Computing kpt #: 65 total cpu time spent up to now is 214.4 secs Computing kpt #: 66 total cpu time spent up to now is 216.8 secs Computing kpt #: 67 total cpu time spent up to now is 219.2 secs Computing kpt #: 68 total cpu time spent up to now is 221.7 secs Computing kpt #: 69 total cpu time spent up to now is 224.2 secs Computing kpt #: 70 total cpu time spent up to now is 226.6 secs Computing kpt #: 71 total cpu time spent up to now is 229.2 secs Computing kpt #: 72 total cpu time spent up to now is 231.7 secs Computing kpt #: 73 total cpu time spent up to now is 234.3 secs Computing kpt #: 74 total cpu time spent up to now is 237.0 secs Computing kpt #: 75 total cpu time spent up to now is 240.6 secs Computing kpt #: 76 total cpu time spent up to now is 243.6 secs Computing kpt #: 77 total cpu time spent up to now is 246.1 secs Computing kpt #: 78 total cpu time spent up to now is 248.5 secs Computing kpt #: 79 total cpu time spent up to now is 251.0 secs Computing kpt #: 80 total cpu time spent up to now is 253.4 secs Computing kpt #: 81 total cpu time spent up to now is 255.9 secs Computing kpt #: 82 total cpu time spent up to now is 258.3 secs Computing kpt #: 83 total cpu time spent up to now is 260.6 secs Computing kpt #: 84 total cpu time spent up to now is 263.0 secs Computing kpt #: 85 total cpu time spent up to now is 265.4 secs Computing kpt #: 86 total cpu time spent up to now is 267.8 secs Computing kpt #: 87 total cpu time spent up to now is 270.2 secs Computing kpt #: 88 total cpu time spent up to now is 272.5 secs Computing kpt #: 89 total cpu time spent up to now is 274.8 secs Computing kpt #: 90 total cpu time spent up to now is 277.2 secs Computing kpt #: 91 total cpu time spent up to now is 279.4 secs Computing kpt #: 92 total cpu time spent up to now is 281.7 secs Computing kpt #: 93 total cpu time spent up to now is 284.0 secs Computing kpt #: 94 total cpu time spent up to now is 286.7 secs Computing kpt #: 95 total cpu time spent up to now is 288.9 secs Computing kpt #: 96 total cpu time spent up to now is 291.1 secs Computing kpt #: 97 total cpu time spent up to now is 293.3 secs Computing kpt #: 98 total cpu time spent up to now is 295.6 secs Computing kpt #: 99 total cpu time spent up to now is 297.9 secs Computing kpt #: 100 total cpu time spent up to now is 300.2 secs Computing kpt #: 101 total cpu time spent up to now is 302.3 secs Computing kpt #: 102 total cpu time spent up to now is 304.5 secs Computing kpt #: 103 total cpu time spent up to now is 306.7 secs Computing kpt #: 104 total cpu time spent up to now is 308.9 secs Computing kpt #: 105 total cpu time spent up to now is 311.0 secs Computing kpt #: 106 total cpu time spent up to now is 313.2 secs Computing kpt #: 107 total cpu time spent up to now is 315.3 secs Computing kpt #: 108 total cpu time spent up to now is 317.8 secs Computing kpt #: 109 total cpu time spent up to now is 320.1 secs Computing kpt #: 110 total cpu time spent up to now is 322.3 secs Computing kpt #: 111 total cpu time spent up to now is 324.5 secs Computing kpt #: 112 total cpu time spent up to now is 327.0 secs Computing kpt #: 113 total cpu time spent up to now is 329.2 secs Computing kpt #: 114 total cpu time spent up to now is 331.5 secs Computing kpt #: 115 total cpu time spent up to now is 333.7 secs Computing kpt #: 116 total cpu time spent up to now is 335.9 secs Computing kpt #: 117 total cpu time spent up to now is 338.2 secs Computing kpt #: 118 total cpu time spent up to now is 340.6 secs Computing kpt #: 119 total cpu time spent up to now is 342.9 secs Computing kpt #: 120 total cpu time spent up to now is 345.2 secs Computing kpt #: 121 total cpu time spent up to now is 347.6 secs Computing kpt #: 122 total cpu time spent up to now is 350.0 secs Computing kpt #: 123 total cpu time spent up to now is 352.5 secs Computing kpt #: 124 total cpu time spent up to now is 354.9 secs Computing kpt #: 125 total cpu time spent up to now is 357.3 secs Computing kpt #: 126 total cpu time spent up to now is 359.8 secs Computing kpt #: 127 total cpu time spent up to now is 362.2 secs Computing kpt #: 128 total cpu time spent up to now is 364.7 secs Computing kpt #: 129 total cpu time spent up to now is 367.3 secs Computing kpt #: 130 total cpu time spent up to now is 370.0 secs Computing kpt #: 131 total cpu time spent up to now is 372.6 secs Computing kpt #: 132 total cpu time spent up to now is 375.3 secs Computing kpt #: 133 total cpu time spent up to now is 378.0 secs Computing kpt #: 134 total cpu time spent up to now is 380.8 secs Computing kpt #: 135 total cpu time spent up to now is 383.5 secs Computing kpt #: 136 total cpu time spent up to now is 386.4 secs Computing kpt #: 137 total cpu time spent up to now is 389.3 secs Computing kpt #: 138 total cpu time spent up to now is 392.2 secs Computing kpt #: 139 total cpu time spent up to now is 395.1 secs Computing kpt #: 140 total cpu time spent up to now is 398.0 secs Computing kpt #: 141 total cpu time spent up to now is 401.0 secs Computing kpt #: 142 total cpu time spent up to now is 403.8 secs Computing kpt #: 143 total cpu time spent up to now is 406.6 secs Computing kpt #: 144 total cpu time spent up to now is 409.5 secs Computing kpt #: 145 total cpu time spent up to now is 412.4 secs Computing kpt #: 146 total cpu time spent up to now is 415.4 secs Computing kpt #: 147 total cpu time spent up to now is 418.3 secs Computing kpt #: 148 total cpu time spent up to now is 421.3 secs Computing kpt #: 149 total cpu time spent up to now is 424.3 secs Computing kpt #: 150 total cpu time spent up to now is 427.3 secs Computing kpt #: 151 total cpu time spent up to now is 430.2 secs Computing kpt #: 152 total cpu time spent up to now is 433.2 secs Computing kpt #: 153 total cpu time spent up to now is 436.1 secs Computing kpt #: 154 total cpu time spent up to now is 439.0 secs Computing kpt #: 155 total cpu time spent up to now is 442.0 secs Computing kpt #: 156 total cpu time spent up to now is 445.0 secs Computing kpt #: 157 total cpu time spent up to now is 448.0 secs Computing kpt #: 158 total cpu time spent up to now is 450.9 secs Computing kpt #: 159 total cpu time spent up to now is 453.9 secs Computing kpt #: 160 total cpu time spent up to now is 456.8 secs Computing kpt #: 161 total cpu time spent up to now is 459.8 secs Computing kpt #: 162 total cpu time spent up to now is 462.7 secs Computing kpt #: 163 total cpu time spent up to now is 465.7 secs Computing kpt #: 164 total cpu time spent up to now is 468.6 secs Computing kpt #: 165 total cpu time spent up to now is 471.6 secs Computing kpt #: 166 total cpu time spent up to now is 474.5 secs Computing kpt #: 167 total cpu time spent up to now is 477.6 secs Computing kpt #: 168 total cpu time spent up to now is 480.5 secs Computing kpt #: 169 total cpu time spent up to now is 483.3 secs Computing kpt #: 170 total cpu time spent up to now is 486.4 secs Computing kpt #: 171 total cpu time spent up to now is 489.1 secs Computing kpt #: 172 total cpu time spent up to now is 492.1 secs Computing kpt #: 173 total cpu time spent up to now is 494.8 secs Computing kpt #: 174 total cpu time spent up to now is 497.6 secs Computing kpt #: 175 total cpu time spent up to now is 500.5 secs Computing kpt #: 176 total cpu time spent up to now is 503.2 secs Computing kpt #: 177 total cpu time spent up to now is 505.8 secs Computing kpt #: 178 total cpu time spent up to now is 508.5 secs Computing kpt #: 179 total cpu time spent up to now is 511.2 secs Computing kpt #: 180 total cpu time spent up to now is 513.8 secs Computing kpt #: 181 total cpu time spent up to now is 516.3 secs Computing kpt #: 182 total cpu time spent up to now is 518.7 secs Computing kpt #: 183 total cpu time spent up to now is 521.3 secs Computing kpt #: 184 total cpu time spent up to now is 523.7 secs Computing kpt #: 185 total cpu time spent up to now is 526.1 secs Computing kpt #: 186 total cpu time spent up to now is 528.5 secs Computing kpt #: 187 total cpu time spent up to now is 530.9 secs Computing kpt #: 188 total cpu time spent up to now is 533.3 secs Computing kpt #: 189 total cpu time spent up to now is 535.8 secs Computing kpt #: 190 total cpu time spent up to now is 538.9 secs Computing kpt #: 191 total cpu time spent up to now is 541.5 secs Computing kpt #: 192 total cpu time spent up to now is 544.2 secs Computing kpt #: 193 total cpu time spent up to now is 546.5 secs Computing kpt #: 194 total cpu time spent up to now is 549.6 secs Computing kpt #: 195 total cpu time spent up to now is 552.5 secs Computing kpt #: 196 total cpu time spent up to now is 554.8 secs Computing kpt #: 197 total cpu time spent up to now is 557.7 secs Computing kpt #: 198 total cpu time spent up to now is 560.0 secs Computing kpt #: 199 total cpu time spent up to now is 562.3 secs Computing kpt #: 200 total cpu time spent up to now is 564.5 secs Computing kpt #: 201 total cpu time spent up to now is 566.8 secs Computing kpt #: 202 total cpu time spent up to now is 569.2 secs Computing kpt #: 203 total cpu time spent up to now is 571.6 secs Computing kpt #: 204 total cpu time spent up to now is 573.9 secs Computing kpt #: 205 total cpu time spent up to now is 576.1 secs Computing kpt #: 206 total cpu time spent up to now is 578.3 secs Computing kpt #: 207 total cpu time spent up to now is 580.6 secs Computing kpt #: 208 total cpu time spent up to now is 582.8 secs Computing kpt #: 209 total cpu time spent up to now is 585.0 secs Computing kpt #: 210 total cpu time spent up to now is 587.4 secs Computing kpt #: 211 total cpu time spent up to now is 589.6 secs Computing kpt #: 212 total cpu time spent up to now is 592.0 secs Computing kpt #: 213 total cpu time spent up to now is 594.3 secs Computing kpt #: 214 total cpu time spent up to now is 596.6 secs Computing kpt #: 215 total cpu time spent up to now is 599.0 secs Computing kpt #: 216 total cpu time spent up to now is 601.3 secs Computing kpt #: 217 total cpu time spent up to now is 603.6 secs Computing kpt #: 218 total cpu time spent up to now is 605.9 secs Computing kpt #: 219 total cpu time spent up to now is 608.2 secs Computing kpt #: 220 total cpu time spent up to now is 610.5 secs Computing kpt #: 221 total cpu time spent up to now is 613.1 secs Computing kpt #: 222 total cpu time spent up to now is 615.4 secs Computing kpt #: 223 total cpu time spent up to now is 617.9 secs Computing kpt #: 224 total cpu time spent up to now is 620.4 secs Computing kpt #: 225 total cpu time spent up to now is 622.9 secs Computing kpt #: 226 total cpu time spent up to now is 625.4 secs Computing kpt #: 227 total cpu time spent up to now is 627.9 secs Computing kpt #: 228 total cpu time spent up to now is 630.4 secs Computing kpt #: 229 total cpu time spent up to now is 632.9 secs Computing kpt #: 230 total cpu time spent up to now is 635.5 secs Computing kpt #: 231 total cpu time spent up to now is 638.2 secs Computing kpt #: 232 total cpu time spent up to now is 640.8 secs Computing kpt #: 233 total cpu time spent up to now is 643.7 secs Computing kpt #: 234 total cpu time spent up to now is 646.4 secs Computing kpt #: 235 total cpu time spent up to now is 649.2 secs Computing kpt #: 236 total cpu time spent up to now is 651.9 secs Computing kpt #: 237 total cpu time spent up to now is 654.8 secs Computing kpt #: 238 total cpu time spent up to now is 657.6 secs Computing kpt #: 239 total cpu time spent up to now is 660.3 secs Computing kpt #: 240 total cpu time spent up to now is 663.1 secs Computing kpt #: 241 total cpu time spent up to now is 666.0 secs Computing kpt #: 242 total cpu time spent up to now is 668.8 secs Computing kpt #: 243 total cpu time spent up to now is 671.7 secs Computing kpt #: 244 total cpu time spent up to now is 674.5 secs Computing kpt #: 245 total cpu time spent up to now is 677.3 secs Computing kpt #: 246 total cpu time spent up to now is 680.6 secs Computing kpt #: 247 total cpu time spent up to now is 683.4 secs Computing kpt #: 248 total cpu time spent up to now is 686.3 secs Computing kpt #: 249 total cpu time spent up to now is 689.1 secs Computing kpt #: 250 total cpu time spent up to now is 691.9 secs Computing kpt #: 251 total cpu time spent up to now is 694.7 secs Computing kpt #: 252 total cpu time spent up to now is 697.5 secs Computing kpt #: 253 total cpu time spent up to now is 700.3 secs Computing kpt #: 254 total cpu time spent up to now is 703.1 secs Computing kpt #: 255 total cpu time spent up to now is 705.9 secs Computing kpt #: 256 total cpu time spent up to now is 708.7 secs Computing kpt #: 257 total cpu time spent up to now is 711.6 secs Computing kpt #: 258 total cpu time spent up to now is 714.5 secs Computing kpt #: 259 total cpu time spent up to now is 717.3 secs Computing kpt #: 260 total cpu time spent up to now is 720.1 secs Computing kpt #: 261 total cpu time spent up to now is 722.9 secs Computing kpt #: 262 total cpu time spent up to now is 725.7 secs Computing kpt #: 263 total cpu time spent up to now is 728.5 secs Computing kpt #: 264 total cpu time spent up to now is 731.3 secs Computing kpt #: 265 total cpu time spent up to now is 734.1 secs Computing kpt #: 266 total cpu time spent up to now is 736.8 secs Computing kpt #: 267 total cpu time spent up to now is 739.6 secs Computing kpt #: 268 total cpu time spent up to now is 742.4 secs Computing kpt #: 269 total cpu time spent up to now is 745.1 secs Computing kpt #: 270 total cpu time spent up to now is 748.0 secs Computing kpt #: 271 total cpu time spent up to now is 750.7 secs Computing kpt #: 272 total cpu time spent up to now is 753.4 secs Computing kpt #: 273 total cpu time spent up to now is 756.1 secs Computing kpt #: 274 total cpu time spent up to now is 758.7 secs Computing kpt #: 275 total cpu time spent up to now is 761.4 secs Computing kpt #: 276 total cpu time spent up to now is 764.1 secs Computing kpt #: 277 total cpu time spent up to now is 766.8 secs Computing kpt #: 278 total cpu time spent up to now is 769.4 secs Computing kpt #: 279 total cpu time spent up to now is 772.1 secs Computing kpt #: 280 total cpu time spent up to now is 774.8 secs Computing kpt #: 281 total cpu time spent up to now is 777.3 secs Computing kpt #: 282 total cpu time spent up to now is 779.8 secs Computing kpt #: 283 total cpu time spent up to now is 782.4 secs Computing kpt #: 284 total cpu time spent up to now is 784.8 secs Computing kpt #: 285 total cpu time spent up to now is 787.3 secs Computing kpt #: 286 total cpu time spent up to now is 789.8 secs Computing kpt #: 287 total cpu time spent up to now is 792.3 secs Computing kpt #: 288 total cpu time spent up to now is 794.7 secs Computing kpt #: 289 total cpu time spent up to now is 797.2 secs Computing kpt #: 290 total cpu time spent up to now is 799.6 secs Computing kpt #: 291 total cpu time spent up to now is 801.8 secs Computing kpt #: 292 total cpu time spent up to now is 804.0 secs Computing kpt #: 293 total cpu time spent up to now is 806.2 secs Computing kpt #: 294 total cpu time spent up to now is 808.5 secs Computing kpt #: 295 total cpu time spent up to now is 810.9 secs Computing kpt #: 296 total cpu time spent up to now is 813.2 secs Computing kpt #: 297 total cpu time spent up to now is 815.5 secs Computing kpt #: 298 total cpu time spent up to now is 817.9 secs Computing kpt #: 299 total cpu time spent up to now is 820.3 secs Computing kpt #: 300 total cpu time spent up to now is 822.6 secs Computing kpt #: 301 total cpu time spent up to now is 825.1 secs Computing kpt #: 302 total cpu time spent up to now is 827.5 secs Computing kpt #: 303 total cpu time spent up to now is 829.9 secs Computing kpt #: 304 total cpu time spent up to now is 832.5 secs Computing kpt #: 305 total cpu time spent up to now is 835.0 secs Computing kpt #: 306 total cpu time spent up to now is 838.4 secs Computing kpt #: 307 total cpu time spent up to now is 841.2 secs Computing kpt #: 308 total cpu time spent up to now is 843.8 secs Computing kpt #: 309 total cpu time spent up to now is 846.5 secs Computing kpt #: 310 total cpu time spent up to now is 849.1 secs Computing kpt #: 311 total cpu time spent up to now is 851.8 secs Computing kpt #: 312 total cpu time spent up to now is 854.5 secs Computing kpt #: 313 total cpu time spent up to now is 857.1 secs Computing kpt #: 314 total cpu time spent up to now is 859.8 secs Computing kpt #: 315 total cpu time spent up to now is 862.6 secs Computing kpt #: 316 total cpu time spent up to now is 865.9 secs Computing kpt #: 317 total cpu time spent up to now is 868.6 secs Computing kpt #: 318 total cpu time spent up to now is 871.5 secs Computing kpt #: 319 total cpu time spent up to now is 874.5 secs Computing kpt #: 320 total cpu time spent up to now is 877.7 secs Computing kpt #: 321 total cpu time spent up to now is 880.4 secs Computing kpt #: 322 total cpu time spent up to now is 883.3 secs Computing kpt #: 323 total cpu time spent up to now is 886.1 secs Computing kpt #: 324 total cpu time spent up to now is 888.8 secs Computing kpt #: 325 total cpu time spent up to now is 891.6 secs Computing kpt #: 326 total cpu time spent up to now is 894.5 secs Computing kpt #: 327 total cpu time spent up to now is 897.3 secs Computing kpt #: 328 total cpu time spent up to now is 900.1 secs Computing kpt #: 329 total cpu time spent up to now is 902.9 secs Computing kpt #: 330 total cpu time spent up to now is 905.7 secs Computing kpt #: 331 total cpu time spent up to now is 908.4 secs Computing kpt #: 332 total cpu time spent up to now is 911.2 secs Computing kpt #: 333 total cpu time spent up to now is 914.1 secs Computing kpt #: 334 total cpu time spent up to now is 916.9 secs ethr = 2.00E-11, avg # of iterations = 36.0 total cpu time spent up to now is 917.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4083 PWs) bands (ev): -16.4218 -16.4218 -15.0460 -15.0460 -14.4156 -14.4156 -13.8521 -13.8521 -13.7541 -13.7541 -13.3629 -13.3629 -5.3049 -5.3049 -4.5840 -4.5840 -3.5295 -3.5295 -2.8198 -2.8198 -2.7638 -2.7638 -1.2199 -1.2199 -0.3138 -0.3138 0.0359 0.0359 0.2768 0.2768 1.1241 1.1241 1.4575 1.4575 1.8609 1.8609 2.1709 2.1709 2.2770 2.2770 2.4078 2.4078 2.7623 2.7623 2.9143 2.9143 3.1447 3.1447 3.2972 3.2972 8.1637 8.1637 9.8744 9.8744 10.4356 10.4356 10.8593 10.8593 12.1567 12.1567 k = 0.0109 0.0076-0.0037 ( 4081 PWs) bands (ev): -16.4213 -16.4211 -15.0463 -15.0457 -14.4158 -14.4151 -13.8529 -13.8528 -13.7544 -13.7536 -13.3639 -13.3629 -5.3048 -5.3043 -4.5867 -4.5865 -3.5286 -3.5280 -2.8240 -2.8113 -2.7675 -2.7575 -1.2260 -1.2146 -0.3166 -0.3141 0.0187 0.0507 0.2707 0.2846 1.1165 1.1319 1.4413 1.4741 1.8487 1.8541 2.1715 2.1848 2.2779 2.2813 2.4079 2.4087 2.7613 2.7622 2.9147 2.9153 3.1443 3.1446 3.2967 3.2970 8.1505 8.1764 9.8620 9.8856 10.4218 10.4473 10.8468 10.8771 12.1481 12.1668 k = 0.0217 0.0152-0.0074 ( 4079 PWs) bands (ev): -16.4196 -16.4193 -15.0464 -15.0453 -14.4158 -14.4143 -13.8552 -13.8550 -13.7545 -13.7529 -13.3659 -13.3638 -5.3041 -5.3030 -4.5946 -4.5941 -3.5254 -3.5242 -2.8243 -2.7986 -2.7687 -2.7484 -1.2330 -1.2102 -0.3230 -0.3174 0.0004 0.0616 0.2671 0.2931 1.1094 1.1393 1.4259 1.4905 1.8214 1.8301 2.1857 2.2070 2.2835 2.2922 2.4094 2.4114 2.7592 2.7609 2.9164 2.9177 3.1435 3.1440 3.2955 3.2960 8.1368 8.1884 9.8482 9.8954 10.4078 10.4551 10.8411 10.8989 12.1409 12.1782 k = 0.0326 0.0228-0.0110 ( 4080 PWs) bands (ev): -16.4167 -16.4163 -15.0465 -15.0448 -14.4155 -14.4133 -13.8590 -13.8587 -13.7544 -13.7521 -13.3688 -13.3657 -5.3029 -5.3012 -4.6072 -4.6065 -3.5199 -3.5180 -2.8214 -2.7829 -2.7664 -2.7360 -1.2406 -1.2066 -0.3332 -0.3235 -0.0177 0.0678 0.2666 0.3014 1.1028 1.1460 1.4119 1.5060 1.7838 1.7962 2.2068 2.2291 2.2938 2.3104 2.4133 2.4174 2.7561 2.7586 2.9194 2.9213 3.1421 3.1430 3.2937 3.2944 8.1227 8.1998 9.8332 9.9041 10.3950 10.4574 10.8434 10.9235 12.1353 12.1907 k = 0.0435 0.0304-0.0147 ( 4076 PWs) bands (ev): -16.4127 -16.4121 -15.0464 -15.0442 -14.4149 -14.4120 -13.8641 -13.8638 -13.7542 -13.7512 -13.3726 -13.3685 -5.3014 -5.2990 -4.6241 -4.6231 -3.5122 -3.5097 -2.8160 -2.7723 -2.7529 -2.7199 -1.2490 -1.2039 -0.3477 -0.3322 -0.0343 0.0693 0.2691 0.3090 1.0967 1.1509 1.3998 1.5197 1.7389 1.7603 2.2283 2.2469 2.3081 2.3317 2.4213 2.4311 2.7521 2.7554 2.9235 2.9260 3.1402 3.1414 3.2912 3.2922 8.1083 8.2104 9.8168 9.9115 10.3847 10.4535 10.8540 10.9501 12.1314 12.2042 k = 0.0543 0.0380-0.0184 ( 4076 PWs) bands (ev): -16.4075 -16.4068 -15.0463 -15.0435 -14.4141 -14.4105 -13.8706 -13.8703 -13.7539 -13.7502 -13.3774 -13.3722 -5.2998 -5.2967 -4.6446 -4.6432 -3.5023 -3.4993 -2.8087 -2.7672 -2.7280 -2.6998 -1.2579 -1.2020 -0.3665 -0.3437 -0.0489 0.0667 0.2736 0.3151 1.0910 1.1531 1.3898 1.5301 1.6900 1.7275 2.2469 2.2617 2.3231 2.3477 2.4363 2.4570 2.7472 2.7513 2.9288 2.9319 3.1378 3.1393 3.2882 3.2894 8.0936 8.2202 9.7992 9.9178 10.3774 10.4440 10.8723 10.9782 12.1290 12.2186 k = 0.0652 0.0455-0.0221 ( 4082 PWs) bands (ev): -16.4012 -16.4003 -15.0460 -15.0427 -14.4131 -14.4089 -13.8783 -13.8780 -13.7535 -13.7492 -13.3829 -13.3768 -5.2985 -5.2946 -4.6678 -4.6660 -3.4906 -3.4869 -2.8001 -2.7620 -2.6980 -2.6757 -1.2673 -1.2009 -0.3895 -0.3578 -0.0609 0.0610 0.2791 0.3196 1.0855 1.1516 1.3814 1.5347 1.6404 1.7021 2.2630 2.2753 2.3343 2.3556 2.4600 2.4941 2.7418 2.7468 2.9349 2.9386 3.1350 3.1368 3.2848 3.2862 8.0787 8.2292 9.7804 9.9233 10.3733 10.4301 10.8972 11.0073 12.1282 12.2336 k = 0.0761 0.0531-0.0257 ( 4088 PWs) bands (ev): -16.3937 -16.3926 -15.0457 -15.0419 -14.4119 -14.4071 -13.8873 -13.8870 -13.7532 -13.7482 -13.3894 -13.3823 -5.2980 -5.2932 -4.6927 -4.6905 -3.4770 -3.4728 -2.7905 -2.7557 -2.6644 -2.6477 -1.2770 -1.2003 -0.4164 -0.3744 -0.0704 0.0534 0.2843 0.3219 1.0799 1.1459 1.3733 1.5296 1.5953 1.6877 2.2777 2.2887 2.3406 2.3586 2.4909 2.5368 2.7365 2.7421 2.9418 2.9460 3.1315 3.1337 3.2812 3.2828 8.0636 8.2372 9.7607 9.9281 10.3717 10.4142 10.9272 11.0371 12.1290 12.2491 k = 0.0870 0.0607-0.0294 ( 4090 PWs) bands (ev): -16.3850 -16.3839 -15.0452 -15.0409 -14.4107 -14.4052 -13.8973 -13.8972 -13.7528 -13.7473 -13.3965 -13.3885 -5.2990 -5.2931 -4.7182 -4.7153 -3.4617 -3.4571 -2.7799 -2.7481 -2.6278 -2.6164 -1.2869 -1.2003 -0.4466 -0.3936 -0.0776 0.0446 0.2883 0.3221 1.0732 1.1358 1.3632 1.5065 1.5669 1.6845 2.2912 2.3019 2.3438 2.3599 2.5248 2.5801 2.7325 2.7384 2.9492 2.9539 3.1276 3.1301 3.2775 3.2794 8.0485 8.2443 9.7403 9.9326 10.3682 10.4017 10.9609 11.0675 12.1313 12.2647 k = 0.0978 0.0683-0.0331 ( 4091 PWs) bands (ev): -16.3752 -16.3739 -15.0447 -15.0399 -14.4094 -14.4034 -13.9085 -13.9084 -13.7525 -13.7464 -13.4044 -13.3955 -5.3021 -5.2950 -4.7430 -4.7394 -3.4451 -3.4400 -2.7684 -2.7392 -2.5888 -2.5821 -1.2969 -1.2007 -0.4795 -0.4150 -0.0831 0.0352 0.2905 0.3200 1.0641 1.1221 1.3489 1.4670 1.5602 1.6897 2.3023 2.3142 2.3470 2.3620 2.5575 2.6186 2.7325 2.7377 2.9568 2.9621 3.1231 3.1260 3.2742 3.2763 8.0334 8.2504 9.7195 9.9371 10.3552 10.4009 10.9973 11.0983 12.1351 12.2803 k = 0.1087 0.0759-0.0368 ( 4097 PWs) bands (ev): -16.3643 -16.3629 -15.0440 -15.0388 -14.4082 -14.4016 -13.9207 -13.9205 -13.7523 -13.7456 -13.4129 -13.4032 -5.3083 -5.2998 -4.7657 -4.7613 -3.4271 -3.4217 -2.7560 -2.7289 -2.5479 -2.5453 -1.3069 -1.2014 -0.5143 -0.4386 -0.0874 0.0253 0.2907 0.3158 1.0502 1.1062 1.3299 1.4253 1.5662 1.6996 2.3090 2.3228 2.3539 2.3680 2.5846 2.6443 2.7388 2.7472 2.9644 2.9704 3.1180 3.1215 3.2715 3.2740 8.0185 8.2554 9.6986 9.9417 10.3354 10.4097 11.0355 11.1295 12.1403 12.2958 k = 0.1196 0.0835-0.0404 ( 4093 PWs) bands (ev): -16.3523 -16.3507 -15.0432 -15.0376 -14.4071 -14.3999 -13.9339 -13.9336 -13.7521 -13.7448 -13.4221 -13.4115 -5.3184 -5.3085 -4.7850 -4.7796 -3.4082 -3.4024 -2.7425 -2.7172 -2.5066 -2.5056 -1.3167 -1.2021 -0.5504 -0.4640 -0.0909 0.0151 0.2889 0.3095 1.0291 1.0896 1.3073 1.3882 1.5804 1.7118 2.3103 2.3261 2.3661 2.3799 2.6021 2.6525 2.7508 2.7739 2.9718 2.9786 3.1124 3.1165 3.2699 3.2728 8.0037 8.2594 9.6779 9.9469 10.3138 10.4235 11.0749 11.1611 12.1467 12.3108 k = 0.1304 0.0911-0.0441 ( 4096 PWs) bands (ev): -16.3391 -16.3374 -15.0424 -15.0364 -14.4062 -14.3986 -13.9479 -13.9474 -13.7520 -13.7441 -13.4317 -13.4203 -5.3332 -5.3219 -4.7996 -4.7933 -3.3884 -3.3824 -2.7279 -2.7042 -2.4665 -2.4624 -1.3262 -1.2029 -0.5874 -0.4909 -0.0942 0.0044 0.2851 0.3016 1.0001 1.0712 1.2833 1.3587 1.6003 1.7247 2.3080 2.3255 2.3820 2.3964 2.6088 2.6493 2.7708 2.8093 2.9787 2.9866 3.1064 3.1111 3.2700 3.2734 7.9892 8.2623 9.6577 9.9526 10.2921 10.4404 11.1151 11.1929 12.1543 12.3253 k = 0.1413 0.0987-0.0478 ( 4101 PWs) bands (ev): -16.3248 -16.3230 -15.0414 -15.0351 -14.4056 -14.3976 -13.9626 -13.9620 -13.7519 -13.7435 -13.4418 -13.4297 -5.3532 -5.3405 -4.8086 -4.8014 -3.3681 -3.3619 -2.7122 -2.6898 -2.4254 -2.4186 -1.3353 -1.2034 -0.6247 -0.5191 -0.0979 -0.0070 0.2800 0.2924 0.9648 1.0484 1.2614 1.3368 1.6237 1.7375 2.3037 2.3233 2.4001 2.4153 2.6071 2.6411 2.7958 2.8458 2.9849 2.9944 3.1003 3.1057 3.2723 3.2764 7.9750 8.2642 9.6384 9.9589 10.2711 10.4598 11.1556 11.2249 12.1630 12.3391 k = 0.1522 0.1063-0.0515 ( 4108 PWs) bands (ev): -16.3095 -16.3075 -15.0404 -15.0337 -14.4055 -14.3972 -13.9779 -13.9772 -13.7519 -13.7429 -13.4523 -13.4395 -5.3785 -5.3646 -4.8116 -4.8036 -3.3475 -3.3411 -2.6952 -2.6739 -2.3838 -2.3747 -1.3438 -1.2036 -0.6619 -0.5480 -0.1025 -0.0194 0.2738 0.2826 0.9247 1.0191 1.2450 1.3212 1.6489 1.7493 2.2985 2.3203 2.4195 2.4348 2.6004 2.6310 2.8222 2.8791 2.9901 3.0021 3.0944 3.1007 3.2774 3.2826 7.9612 8.2650 9.6201 9.9660 10.2515 10.4811 11.1961 11.2573 12.1727 12.3522 k = 0.1630 0.1139-0.0551 ( 4100 PWs) bands (ev): -16.2930 -16.2909 -15.0392 -15.0322 -14.4060 -14.3974 -13.9936 -13.9928 -13.7519 -13.7424 -13.4630 -13.4496 -5.4086 -5.3939 -4.8084 -4.7999 -3.3268 -3.3204 -2.6769 -2.6566 -2.3420 -2.3311 -1.3517 -1.2033 -0.6986 -0.5773 -0.1084 -0.0331 0.2670 0.2728 0.8814 0.9831 1.2351 1.3102 1.6747 1.7596 2.2930 2.3172 2.4398 2.4529 2.5914 2.6214 2.8469 2.9065 2.9938 3.0094 3.0900 3.0972 3.2857 3.2926 7.9479 8.2648 9.6031 9.9737 10.2336 10.5038 11.2365 11.2898 12.1832 12.3644 k = 0.1739 0.1215-0.0588 ( 4102 PWs) bands (ev): -16.2755 -16.2733 -15.0380 -15.0307 -14.4074 -14.3986 -14.0095 -14.0087 -13.7520 -13.7420 -13.4740 -13.4600 -5.4432 -5.4277 -4.7995 -4.7907 -3.3064 -3.3000 -2.6575 -2.6379 -2.3004 -2.2880 -1.3589 -1.2024 -0.7344 -0.6067 -0.1162 -0.0483 0.2597 0.2644 0.8360 0.9419 1.2308 1.3024 1.6998 1.7680 2.2877 2.3141 2.4602 2.4674 2.5819 2.6146 2.8679 2.9263 2.9955 3.0150 3.0882 3.0975 3.2974 3.3067 7.9351 8.2637 9.5876 9.9816 10.2180 10.5277 11.2766 11.3226 12.1944 12.3756 k = 0.1848 0.1291-0.0625 ( 4105 PWs) bands (ev): -16.2569 -16.2546 -15.0367 -15.0292 -14.4097 -14.4009 -14.0255 -14.0246 -13.7522 -13.7416 -13.4852 -13.4705 -5.4813 -5.4653 -4.7854 -4.7764 -3.2864 -3.2801 -2.6368 -2.6180 -2.2592 -2.2459 -1.3652 -1.2007 -0.7690 -0.6358 -0.1263 -0.0653 0.2521 0.2582 0.7891 0.8973 1.2306 1.2970 1.7230 1.7742 2.2827 2.3110 2.4737 2.4809 2.5734 2.6142 2.8842 2.9384 2.9944 3.0161 3.0900 3.1043 3.3128 3.3253 7.9230 8.2617 9.5736 9.9896 10.2050 10.5524 11.3162 11.3555 12.2061 12.3860 k = 0.1957 0.1366-0.0662 ( 4109 PWs) bands (ev): -16.2373 -16.2349 -15.0353 -15.0276 -14.4133 -14.4045 -14.0412 -14.0403 -13.7525 -13.7413 -13.4963 -13.4812 -5.5222 -5.5059 -4.7668 -4.7577 -3.2671 -3.2609 -2.6151 -2.5969 -2.2190 -2.2050 -1.3705 -1.1981 -0.8019 -0.6641 -0.1391 -0.0840 0.2455 0.2540 0.7415 0.8507 1.2331 1.2932 1.7433 1.7778 2.2783 2.3077 2.4730 2.4961 2.5689 2.6222 2.8954 2.9447 2.9900 3.0120 3.0954 3.1176 3.3316 3.3482 7.9115 8.2587 9.5613 9.9969 10.1953 10.5775 11.3553 11.3885 12.2184 12.3953 k = 0.2065 0.1442-0.0698 ( 4106 PWs) bands (ev): -16.2167 -16.2142 -15.0340 -15.0261 -14.4184 -14.4098 -14.0563 -14.0556 -13.7529 -13.7412 -13.5075 -13.4919 -5.5652 -5.5486 -4.7442 -4.7351 -3.2487 -3.2425 -2.5926 -2.5748 -2.1797 -2.1656 -1.3748 -1.1945 -0.8327 -0.6914 -0.1547 -0.1044 0.2406 0.2516 0.6936 0.8031 1.2371 1.2905 1.7593 1.7794 2.2746 2.3038 2.4647 2.5027 2.5736 2.6376 2.9021 2.9472 2.9827 3.0041 3.1045 3.1347 3.3534 3.3750 7.9008 8.2550 9.5507 10.0031 10.1895 10.6028 11.3937 11.4217 12.2309 12.4037 k = 0.2174 0.1518-0.0735 ( 4101 PWs) bands (ev): -16.1951 -16.1925 -15.0326 -15.0245 -14.4252 -14.4170 -14.0706 -14.0702 -13.7534 -13.7412 -13.5185 -13.5026 -5.6095 -5.5929 -4.7183 -4.7093 -3.2315 -3.2252 -2.5695 -2.5520 -2.1418 -2.1279 -1.3778 -1.1899 -0.8612 -0.7171 -0.1731 -0.1262 0.2380 0.2512 0.6458 0.7551 1.2419 1.2884 1.7674 1.7813 2.2712 2.2987 2.4518 2.4998 2.5888 2.6577 2.9052 2.9474 2.9731 2.9943 3.1162 3.1531 3.3779 3.4050 7.8909 8.2506 9.5418 10.0073 10.1882 10.6281 11.4314 11.4548 12.2436 12.4112 k = 0.2283 0.1594-0.0772 ( 4102 PWs) bands (ev): -16.1725 -16.1699 -15.0312 -15.0230 -14.4341 -14.4263 -14.0839 -14.0835 -13.7541 -13.7414 -13.5293 -13.5131 -5.6547 -5.6381 -4.6894 -4.6805 -3.2154 -3.2090 -2.5462 -2.5290 -2.1053 -2.0920 -1.3794 -1.1841 -0.8868 -0.7409 -0.1940 -0.1492 0.2378 0.2526 0.5982 0.7071 1.2469 1.2866 1.7651 1.7857 2.2677 2.2915 2.4368 2.4924 2.6096 2.6800 2.9059 2.9464 2.9622 2.9839 3.1297 3.1718 3.4045 3.4372 7.8818 8.2455 9.5347 10.0091 10.1916 10.6531 11.4684 11.4879 12.2564 12.4176 k = 0.2391 0.1670-0.0809 ( 4104 PWs) bands (ev): -16.1490 -16.1462 -15.0298 -15.0215 -14.4450 -14.4380 -14.0961 -14.0954 -13.7551 -13.7418 -13.5397 -13.5233 -5.7004 -5.6838 -4.6579 -4.6492 -3.2007 -3.1939 -2.5233 -2.5062 -2.0705 -2.0581 -1.3796 -1.1770 -0.9092 -0.7625 -0.2170 -0.1732 0.2399 0.2559 0.5512 0.6596 1.2516 1.2848 1.7569 1.7876 2.2630 2.2815 2.4218 2.4845 2.6323 2.7029 2.9054 2.9443 2.9510 2.9746 3.1442 3.1903 3.4326 3.4708 7.8736 8.2398 9.5294 10.0085 10.1999 10.6775 11.5045 11.5209 12.2690 12.4231 k = 0.2500 0.1746-0.0845 ( 4104 PWs) bands (ev): -16.1245 -16.1217 -15.0285 -15.0202 -14.4584 -14.4522 -14.1069 -14.1056 -13.7564 -13.7427 -13.5497 -13.5332 -5.7459 -5.7295 -4.6242 -4.6157 -3.1873 -3.1800 -2.5014 -2.4843 -2.0372 -2.0260 -1.3780 -1.1687 -0.9281 -0.7816 -0.2417 -0.1978 0.2442 0.2610 0.5049 0.6125 1.2557 1.2827 1.7450 1.7849 2.2556 2.2682 2.4087 2.4778 2.6550 2.7252 2.9047 2.9393 2.9415 2.9685 3.1594 3.2087 3.4616 3.5053 7.8663 8.2336 9.5258 10.0056 10.2124 10.7012 11.5399 11.5537 12.2815 12.4276 k = 0.2609 0.1822-0.0882 ( 4106 PWs) bands (ev): -16.0991 -16.0963 -15.0273 -15.0189 -14.4740 -14.4688 -14.1161 -14.1142 -13.7580 -13.7439 -13.5590 -13.5426 -5.7912 -5.7750 -4.5886 -4.5803 -3.1753 -3.1673 -2.4812 -2.4640 -2.0054 -1.9956 -1.3746 -1.1591 -0.9430 -0.7978 -0.2674 -0.2229 0.2503 0.2677 0.4596 0.5663 1.2588 1.2801 1.7300 1.7772 2.2440 2.2512 2.3989 2.4727 2.6762 2.7456 2.9049 2.9299 2.9351 2.9674 3.1750 3.2272 3.4912 3.5399 7.8600 8.2268 9.5238 10.0009 10.2286 10.7238 11.5745 11.5863 12.2936 12.4311 k = 0.2717 0.1898-0.0919 ( 4111 PWs) bands (ev): -16.0729 -16.0700 -15.0263 -15.0179 -14.4921 -14.4878 -14.1237 -14.1210 -13.7600 -13.7457 -13.5677 -13.5514 -5.8358 -5.8198 -4.5513 -4.5433 -3.1646 -3.1557 -2.4635 -2.4462 -1.9750 -1.9667 -1.3691 -1.1482 -0.9539 -0.8110 -0.2936 -0.2481 0.2578 0.2759 0.4156 0.5210 1.2607 1.2770 1.7121 1.7649 2.2274 2.2308 2.3928 2.4690 2.6950 2.7629 2.9068 2.9222 2.9283 2.9711 3.1909 3.2458 3.5209 3.5742 7.8547 8.2196 9.5235 9.9949 10.2477 10.7453 11.6082 11.6185 12.3052 12.4338 k = 0.2826 0.1974-0.0956 ( 4108 PWs) bands (ev): -16.0458 -16.0429 -15.0254 -15.0170 -14.5123 -14.5091 -14.1297 -14.1263 -13.7626 -13.7481 -13.5756 -13.5596 -5.8795 -5.8639 -4.5126 -4.5048 -3.1550 -3.1453 -2.4492 -2.4316 -1.9457 -1.9387 -1.3614 -1.1360 -0.9606 -0.8209 -0.3199 -0.2731 0.2655 0.2854 0.3739 0.4768 1.2612 1.2732 1.6916 1.7482 2.2059 2.2076 2.3900 2.4659 2.7109 2.7757 2.9084 2.9177 2.9251 2.9785 3.2075 3.2647 3.5504 3.6078 7.8503 8.2119 9.5247 9.9879 10.2691 10.7654 11.6410 11.6503 12.3162 12.4356 k = 0.2935 0.2050-0.0992 ( 4104 PWs) bands (ev): -16.0179 -16.0150 -15.0248 -15.0164 -14.5345 -14.5324 -14.1341 -14.1300 -13.7658 -13.7512 -13.5825 -13.5671 -5.9221 -5.9068 -4.4726 -4.4650 -3.1465 -3.1358 -2.4390 -2.4212 -1.9170 -1.9112 -1.3514 -1.1227 -0.9629 -0.8276 -0.3459 -0.2977 0.2698 0.2957 0.3379 0.4344 1.2599 1.2687 1.6689 1.7277 2.1803 2.1822 2.3891 2.4627 2.7237 2.7833 2.9064 2.9139 2.9334 2.9886 3.2246 3.2841 3.5793 3.6404 7.8471 8.2038 9.5274 9.9802 10.2923 10.7840 11.6730 11.6817 12.3263 12.4365 k = 0.3043 0.2126-0.1029 ( 4113 PWs) bands (ev): -15.9893 -15.9863 -15.0246 -15.0163 -14.5585 -14.5574 -14.1372 -14.1325 -13.7695 -13.7550 -13.5885 -13.5737 -5.9634 -5.9486 -4.4316 -4.4243 -3.1389 -3.1272 -2.4337 -2.4155 -1.8887 -1.8839 -1.3391 -1.1084 -0.9610 -0.8309 -0.3711 -0.3216 0.2587 0.3041 0.3204 0.3953 1.2567 1.2636 1.6441 1.7038 2.1522 2.1547 2.3888 2.4586 2.7340 2.7865 2.9041 2.9111 2.9493 3.0006 3.2426 3.3040 3.6076 3.6717 7.8448 8.1953 9.5315 9.9719 10.3170 10.8009 11.7042 11.7125 12.3356 12.4367 k = 0.3152 0.2201-0.1066 ( 4114 PWs) bands (ev): -15.9599 -15.9569 -15.0249 -15.0166 -14.5839 -14.5838 -14.1391 -14.1338 -13.7739 -13.7596 -13.5935 -13.5794 -6.0032 -5.9889 -4.3898 -4.3828 -3.1321 -3.1193 -2.4337 -2.4150 -1.8606 -1.8564 -1.3245 -1.0933 -0.9552 -0.8309 -0.3953 -0.3446 0.2279 0.3027 0.3275 0.3657 1.2512 1.2578 1.6178 1.6771 2.1224 2.1255 2.3881 2.4530 2.7424 2.7869 2.9030 2.9102 2.9689 3.0139 3.2617 3.3245 3.6349 3.7015 7.8437 8.1864 9.5369 9.9631 10.3428 10.8160 11.7344 11.7427 12.3438 12.4362 k = 0.3261 0.2277-0.1103 ( 4120 PWs) bands (ev): -15.9298 -15.9268 -15.0257 -15.0174 -14.6112 -14.6103 -14.1399 -14.1341 -13.7790 -13.7650 -13.5974 -13.5843 -6.0415 -6.0277 -4.3474 -4.3406 -3.1259 -3.1122 -2.4391 -2.4200 -1.8324 -1.8285 -1.3075 -1.0775 -0.9455 -0.8277 -0.4182 -0.3665 0.1908 0.2825 0.3416 0.3585 1.2438 1.2509 1.5903 1.6481 2.0916 2.0953 2.3861 2.4457 2.7496 2.7859 2.9034 2.9112 2.9900 3.0277 3.2819 3.3454 3.6611 3.7297 7.8436 8.1770 9.5435 9.9539 10.3693 10.8292 11.7638 11.7722 12.3509 12.4349 k = 0.3370 0.2353-0.1139 ( 4116 PWs) bands (ev): -15.8991 -15.8962 -15.0273 -15.0190 -14.6393 -14.6374 -14.1397 -14.1335 -13.7846 -13.7710 -13.6004 -13.5882 -6.0779 -6.0648 -4.3047 -4.2981 -3.1201 -3.1054 -2.4500 -2.4303 -1.8044 -1.8003 -1.2882 -1.0613 -0.9325 -0.8215 -0.4395 -0.3872 0.1527 0.2486 0.3579 0.3678 1.2347 1.2422 1.5620 1.6174 2.0602 2.0647 2.3824 2.4364 2.7561 2.7849 2.9054 2.9137 3.0111 3.0414 3.3035 3.3669 3.6862 3.7560 7.8446 8.1672 9.5513 9.9442 10.3965 10.8404 11.7922 11.8010 12.3567 12.4331 k = 0.3478 0.2429-0.1176 ( 4120 PWs) bands (ev): -15.8678 -15.8649 -15.0298 -15.0216 -14.6676 -14.6648 -14.1388 -14.1323 -13.7908 -13.7777 -13.6025 -13.5914 -6.1125 -6.1001 -4.2618 -4.2555 -3.1146 -3.0990 -2.4659 -2.4458 -1.7767 -1.7720 -1.2669 -1.0449 -0.9164 -0.8123 -0.4592 -0.4065 0.1148 0.2112 0.3758 0.3830 1.2240 1.2313 1.5336 1.5857 2.0289 2.0339 2.3768 2.4252 2.7625 2.7845 2.9089 2.9174 3.0313 3.0546 3.3263 3.3886 3.7099 3.7804 7.8467 8.1570 9.5601 9.9340 10.4241 10.8496 11.8197 11.8290 12.3611 12.4307 k = 0.3587 0.2505-0.1213 ( 4120 PWs) bands (ev): -15.8360 -15.8332 -15.0335 -15.0254 -14.6957 -14.6921 -14.1373 -14.1306 -13.7974 -13.7848 -13.6038 -13.5938 -6.1452 -6.1334 -4.2191 -4.2130 -3.1091 -3.0928 -2.4865 -2.4658 -1.7497 -1.7440 -1.2436 -1.0285 -0.8978 -0.8005 -0.4769 -0.4243 0.0775 0.1731 0.3948 0.4010 1.2114 1.2180 1.5058 1.5535 1.9979 2.0034 2.3694 2.4125 2.7688 2.7850 2.9137 2.9221 3.0498 3.0671 3.3503 3.4106 3.7322 3.8027 7.8500 8.1464 9.5698 9.9234 10.4519 10.8567 11.8462 11.8561 12.3642 12.4278 k = 0.3696 0.2581-0.1250 ( 4114 PWs) bands (ev): -15.8038 -15.8011 -15.0386 -15.0306 -14.7230 -14.7187 -14.1353 -14.1284 -13.8042 -13.7923 -13.6045 -13.5955 -6.1757 -6.1647 -4.1767 -4.1710 -3.1036 -3.0864 -2.5112 -2.4899 -1.7237 -1.7166 -1.2186 -1.0126 -0.8770 -0.7861 -0.4927 -0.4407 0.0411 0.1352 0.4148 0.4207 1.1968 1.2019 1.4791 1.5218 1.9676 1.9735 2.3605 2.3985 2.7750 2.7867 2.9194 2.9276 3.0663 3.0786 3.3753 3.4324 3.7531 3.8229 7.8543 8.1353 9.5803 9.9124 10.4798 10.8617 11.8717 11.8823 12.3659 12.4244 k = 0.3804 0.2657-0.1287 ( 4110 PWs) bands (ev): -15.7713 -15.7687 -15.0455 -15.0376 -14.7491 -14.7442 -14.1328 -14.1259 -13.8113 -13.7999 -13.6046 -13.5967 -6.2041 -6.1938 -4.1352 -4.1297 -3.0977 -3.0798 -2.5392 -2.5175 -1.6990 -1.6905 -1.1922 -0.9971 -0.8544 -0.7696 -0.5064 -0.4556 0.0056 0.0977 0.4358 0.4418 1.1797 1.1829 1.4543 1.4913 1.9384 1.9445 2.3503 2.3837 2.7812 2.7893 2.9259 2.9336 3.0809 3.0890 3.4008 3.4540 3.7725 3.8409 7.8596 8.1238 9.5917 9.9008 10.5075 10.8647 11.8961 11.9074 12.3664 12.4205 k = 0.3913 0.2733-0.1323 ( 4110 PWs) bands (ev): -15.7386 -15.7361 -15.0545 -15.0469 -14.7733 -14.7681 -14.1300 -14.1233 -13.8184 -13.8077 -13.6043 -13.5974 -6.2302 -6.2208 -4.0947 -4.0895 -3.0914 -3.0728 -2.5699 -2.5478 -1.6760 -1.6659 -1.1648 -0.9826 -0.8306 -0.7510 -0.5181 -0.4690 -0.0289 0.0609 0.4575 0.4641 1.1591 1.1617 1.4319 1.4629 1.9106 1.9167 2.3393 2.3685 2.7871 2.7929 2.9328 2.9400 3.0933 3.0983 3.4263 3.4749 3.7904 3.8566 7.8660 8.1118 9.6037 9.8888 10.5350 10.8655 11.9194 11.9314 12.3657 12.4161 k = 0.4022 0.2809-0.1360 ( 4108 PWs) bands (ev): -15.7058 -15.7035 -15.0658 -15.0586 -14.7952 -14.7897 -14.1270 -14.1204 -13.8253 -13.8154 -13.6038 -13.5977 -6.2540 -6.2454 -4.0558 -4.0509 -3.0842 -3.0650 -2.6028 -2.5803 -1.6549 -1.6435 -1.1367 -0.9691 -0.8058 -0.7309 -0.5276 -0.4810 -0.0622 0.0247 0.4800 0.4873 1.1343 1.1390 1.4122 1.4371 1.8843 1.8904 2.3279 2.3534 2.7925 2.7971 2.9400 2.9466 3.1039 3.1065 3.4515 3.4950 3.8068 3.8700 7.8734 8.0994 9.6163 9.8762 10.5621 10.8643 11.9414 11.9541 12.3641 12.4111 k = 0.4130 0.2885-0.1397 ( 4104 PWs) bands (ev): -15.6732 -15.6710 -15.0798 -15.0731 -14.8142 -14.8088 -14.1239 -14.1176 -13.8320 -13.8228 -13.6030 -13.5978 -6.2754 -6.2677 -4.0188 -4.0143 -3.0761 -3.0564 -2.6369 -2.6143 -1.6357 -1.6233 -1.1086 -0.9571 -0.7804 -0.7095 -0.5351 -0.4914 -0.0942 -0.0107 0.5032 0.5112 1.1066 1.1140 1.3953 1.4146 1.8600 1.8659 2.3167 2.3387 2.7975 2.8017 2.9472 2.9531 3.1127 3.1136 3.4758 3.5139 3.8218 3.8811 7.8818 8.0866 9.6295 9.8633 10.5887 10.8611 11.9622 11.9752 12.3619 12.4057 k = 0.4239 0.2961-0.1434 ( 4109 PWs) bands (ev): -15.6410 -15.6390 -15.0961 -15.0901 -14.8302 -14.8250 -14.1208 -14.1149 -13.8382 -13.8299 -13.6021 -13.5977 -6.2944 -6.2876 -3.9843 -3.9801 -3.0669 -3.0467 -2.6719 -2.6491 -1.6187 -1.6058 -1.0809 -0.9467 -0.7550 -0.6876 -0.5405 -0.5004 -0.1245 -0.0452 0.5270 0.5357 1.0769 1.0867 1.3813 1.3956 1.8379 1.8434 2.3059 2.3247 2.8022 2.8062 2.9541 2.9593 3.1195 3.1202 3.4986 3.5314 3.8354 3.8899 7.8911 8.0735 9.6432 9.8498 10.6147 10.8559 11.9814 11.9947 12.3593 12.3998 k = 0.4348 0.3036-0.1470 ( 4114 PWs) bands (ev): -15.6096 -15.6078 -15.1146 -15.1094 -14.8431 -14.8384 -14.1177 -14.1124 -13.8439 -13.8365 -13.6011 -13.5974 -6.3109 -6.3050 -3.9527 -3.9490 -3.0562 -3.0358 -2.7068 -2.6842 -1.6037 -1.5909 -1.0543 -0.9382 -0.7298 -0.6661 -0.5438 -0.5080 -0.1527 -0.0786 0.5512 0.5603 1.0463 1.0577 1.3698 1.3800 1.8181 1.8231 2.2960 2.3118 2.8064 2.8104 2.9607 2.9651 3.1247 3.1259 3.5197 3.5471 3.8476 3.8965 7.9013 8.0600 9.6572 9.8360 10.6399 10.8488 11.9991 12.0121 12.3566 12.3934 k = 0.4457 0.3112-0.1507 ( 4112 PWs) bands (ev): -15.5795 -15.5779 -15.1344 -15.1301 -14.8531 -14.8491 -14.1148 -14.1101 -13.8488 -13.8425 -13.6002 -13.5972 -6.3248 -6.3199 -3.9247 -3.9214 -3.0441 -3.0236 -2.7409 -2.7187 -1.5907 -1.5788 -1.0293 -0.9320 -0.7054 -0.6462 -0.5448 -0.5142 -0.1782 -0.1106 0.5753 0.5847 1.0157 1.0279 1.3606 1.3676 1.8010 1.8054 2.2872 2.3002 2.8103 2.8141 2.9666 2.9703 3.1290 3.1305 3.5385 3.5607 3.8586 3.9011 7.9123 8.0462 9.6717 9.8218 10.6643 10.8399 12.0150 12.0273 12.3543 12.3868 k = 0.4565 0.3188-0.1544 ( 4106 PWs) bands (ev): -15.5514 -15.5501 -15.1546 -15.1512 -14.8606 -14.8574 -14.1121 -14.1082 -13.8529 -13.8477 -13.5993 -13.5969 -6.3362 -6.3322 -3.9007 -3.8979 -3.0305 -3.0105 -2.7733 -2.7519 -1.5799 -1.5693 -1.0064 -0.9283 -0.6823 -0.6295 -0.5435 -0.5189 -0.2000 -0.1408 0.5989 0.6080 0.9866 0.9987 1.3534 1.3581 1.7868 1.7905 2.2799 2.2902 2.8138 2.8170 2.9718 2.9748 3.1325 3.1340 3.5547 3.5721 3.8685 3.9036 7.9240 8.0323 9.6864 9.8072 10.6877 10.8291 12.0289 12.0399 12.3527 12.3801 k = 0.4674 0.3264-0.1581 ( 4108 PWs) bands (ev): -15.5265 -15.5256 -15.1736 -15.1711 -14.8659 -14.8635 -14.1098 -14.1068 -13.8561 -13.8521 -13.5985 -13.5968 -6.3449 -6.3419 -3.8812 -3.8791 -3.0156 -2.9970 -2.8026 -2.7829 -1.5710 -1.5625 -0.9860 -0.9273 -0.6612 -0.6179 -0.5399 -0.5221 -0.2168 -0.1684 0.6209 0.6292 0.9605 0.9714 1.3481 1.3510 1.7756 1.7785 2.2743 2.2819 2.8167 2.8193 2.9760 2.9783 3.1352 3.1365 3.5680 3.5808 3.8772 3.9043 7.9363 8.0182 9.7014 9.7924 10.7101 10.8167 12.0406 12.0497 12.3520 12.3736 k = 0.4783 0.3340-0.1617 ( 4114 PWs) bands (ev): -15.5064 -15.5057 -15.1897 -15.1880 -14.8694 -14.8677 -14.1079 -14.1059 -13.8582 -13.8555 -13.5978 -13.5967 -6.3511 -6.3491 -3.8669 -3.8654 -3.0003 -2.9848 -2.8265 -2.8102 -1.5642 -1.5583 -0.9684 -0.9293 -0.6430 -0.6123 -0.5349 -0.5241 -0.2272 -0.1925 0.6399 0.6465 0.9397 0.9481 1.3445 1.3462 1.7677 1.7696 2.2705 2.2756 2.8189 2.8207 2.9792 2.9807 3.1372 3.1381 3.5783 3.5866 3.8847 3.9032 7.9491 8.0041 9.7165 9.7774 10.7313 10.8026 12.0497 12.0562 12.3525 12.3674 k = 0.4891 0.3416-0.1654 ( 4112 PWs) bands (ev): -15.4929 -15.4926 -15.2005 -15.1997 -14.8712 -14.8704 -14.1066 -14.1055 -13.8592 -13.8579 -13.5973 -13.5968 -6.3545 -6.3535 -3.8579 -3.8572 -2.9865 -2.9770 -2.8413 -2.8316 -1.5595 -1.5564 -0.9539 -0.9343 -0.6284 -0.6126 -0.5302 -0.5255 -0.2300 -0.2118 0.6537 0.6575 0.9266 0.9313 1.3425 1.3433 1.7630 1.7640 2.2687 2.2712 2.8205 2.8214 2.9814 2.9821 3.1385 3.1390 3.5853 3.5894 3.8912 3.9006 7.9624 7.9900 9.7317 9.7622 10.7512 10.7869 12.0561 12.0595 12.3543 12.3620 k = 0.5000 0.3492-0.1691 ( 4110 PWs) bands (ev): -15.4881 -15.4881 -15.2041 -15.2041 -14.8715 -14.8715 -14.1057 -14.1057 -13.8591 -13.8591 -13.5970 -13.5970 -6.3554 -6.3554 -3.8547 -3.8547 -2.9775 -2.9775 -2.8432 -2.8432 -1.5569 -1.5569 -0.9425 -0.9425 -0.6181 -0.6181 -0.5271 -0.5271 -0.2247 -0.2247 0.6601 0.6601 0.9236 0.9236 1.3421 1.3421 1.7618 1.7618 2.2689 2.2689 2.8213 2.8213 2.9823 2.9823 3.1391 3.1391 3.5890 3.5890 3.8965 3.8965 7.9761 7.9761 9.7470 9.7470 10.7698 10.7698 12.0594 12.0594 12.3575 12.3575 k = 0.5000 0.3492-0.1691 ( 4110 PWs) bands (ev): -15.4881 -15.4881 -15.2041 -15.2041 -14.8715 -14.8715 -14.1057 -14.1057 -13.8591 -13.8591 -13.5970 -13.5970 -6.3554 -6.3554 -3.8547 -3.8547 -2.9775 -2.9775 -2.8432 -2.8432 -1.5569 -1.5569 -0.9425 -0.9425 -0.6181 -0.6181 -0.5271 -0.5271 -0.2247 -0.2247 0.6601 0.6601 0.9236 0.9236 1.3421 1.3421 1.7618 1.7618 2.2689 2.2689 2.8213 2.8213 2.9823 2.9823 3.1391 3.1391 3.5890 3.5890 3.8965 3.8965 7.9761 7.9761 9.7470 9.7470 10.7698 10.7698 12.0594 12.0594 12.3575 12.3575 k = 0.5029 0.3512-0.1564 ( 4108 PWs) bands (ev): -15.4883 -15.4882 -15.2040 -15.2038 -14.8718 -14.8714 -14.1065 -14.1055 -13.8592 -13.8583 -13.5972 -13.5969 -6.3546 -6.3540 -3.8573 -3.8560 -2.9795 -2.9767 -2.8447 -2.8417 -1.5557 -1.5546 -0.9460 -0.9403 -0.6241 -0.6132 -0.5341 -0.5178 -0.2275 -0.2196 0.6594 0.6602 0.9220 0.9233 1.3414 1.3421 1.7611 1.7649 2.2629 2.2723 2.8203 2.8232 2.9805 2.9864 3.1379 3.1393 3.5882 3.5888 3.8943 3.8985 7.9728 7.9797 9.7424 9.7517 10.7645 10.7740 12.0590 12.0600 12.3513 12.3636 k = 0.5058 0.3532-0.1437 ( 4110 PWs) bands (ev): -15.4888 -15.4887 -15.2033 -15.2030 -14.8722 -14.8714 -14.1077 -14.1058 -13.8587 -13.8569 -13.5977 -13.5970 -6.3519 -6.3505 -3.8640 -3.8614 -2.9827 -2.9772 -2.8461 -2.8402 -1.5512 -1.5491 -0.9507 -0.9395 -0.6303 -0.6099 -0.5377 -0.5069 -0.2280 -0.2125 0.6583 0.6599 0.9186 0.9211 1.3399 1.3414 1.7625 1.7702 2.2546 2.2728 2.8200 2.8258 2.9810 2.9925 3.1359 3.1385 3.5862 3.5874 3.8919 3.9002 7.9699 7.9836 9.7380 9.7564 10.7583 10.7771 12.0585 12.0606 12.3449 12.3692 k = 0.5087 0.3552-0.1310 ( 4113 PWs) bands (ev): -15.4896 -15.4896 -15.2023 -15.2018 -14.8728 -14.8716 -14.1093 -14.1066 -13.8576 -13.8549 -13.5983 -13.5973 -6.3470 -6.3450 -3.8746 -3.8709 -2.9870 -2.9790 -2.8472 -2.8387 -1.5436 -1.5405 -0.9567 -0.9401 -0.6361 -0.6084 -0.5375 -0.4950 -0.2262 -0.2033 0.6564 0.6590 0.9136 0.9171 1.3378 1.3400 1.7659 1.7776 2.2446 2.2705 2.8205 2.8292 2.9836 3.0004 3.1330 3.1369 3.5832 3.5850 3.8892 3.9018 7.9673 7.9878 9.7338 9.7613 10.7512 10.7791 12.0582 12.0612 12.3385 12.3744 k = 0.5115 0.3573-0.1183 ( 4115 PWs) bands (ev): -15.4909 -15.4908 -15.2007 -15.2001 -14.8735 -14.8720 -14.1113 -14.1079 -13.8558 -13.8524 -13.5990 -13.5977 -6.3401 -6.3374 -3.8889 -3.8842 -2.9925 -2.9822 -2.8477 -2.8368 -1.5335 -1.5295 -0.9640 -0.9423 -0.6409 -0.6081 -0.5338 -0.4827 -0.2221 -0.1923 0.6536 0.6573 0.9075 0.9118 1.3349 1.3379 1.7709 1.7868 2.2334 2.2658 2.8216 2.8334 2.9881 3.0098 3.1293 3.1344 3.5791 3.5814 3.8863 3.9031 7.9651 7.9923 9.7299 9.7661 10.7432 10.7801 12.0579 12.0620 12.3320 12.3788 k = 0.5144 0.3593-0.1056 ( 4112 PWs) bands (ev): -15.4924 -15.4924 -15.1987 -15.1979 -14.8742 -14.8724 -14.1136 -14.1095 -13.8536 -13.8495 -13.6000 -13.5983 -6.3312 -6.3279 -3.9068 -3.9013 -2.9990 -2.9865 -2.8474 -2.8345 -1.5212 -1.5167 -0.9727 -0.9464 -0.6442 -0.6078 -0.5273 -0.4702 -0.2156 -0.1796 0.6496 0.6546 0.9007 0.9055 1.3313 1.3351 1.7769 1.7974 2.2220 2.2591 2.8234 2.8383 2.9942 3.0203 3.1251 3.1311 3.5739 3.5767 3.8831 3.9042 7.9632 7.9969 9.7262 9.7709 10.7345 10.7799 12.0578 12.0629 12.3254 12.3822 k = 0.5173 0.3613-0.0929 ( 4112 PWs) bands (ev): -15.4944 -15.4944 -15.1962 -15.1953 -14.8750 -14.8728 -14.1162 -14.1115 -13.8509 -13.8463 -13.6011 -13.5990 -6.3204 -6.3165 -3.9281 -3.9220 -3.0062 -2.9921 -2.8460 -2.8314 -1.5076 -1.5026 -0.9829 -0.9524 -0.6454 -0.6063 -0.5189 -0.4577 -0.2069 -0.1653 0.6440 0.6505 0.8938 0.8988 1.3269 1.3315 1.7834 1.8089 2.2111 2.2510 2.8257 2.8439 3.0015 3.0315 3.1205 3.1273 3.5676 3.5709 3.8797 3.9051 7.9617 8.0018 9.7228 9.7756 10.7252 10.7788 12.0579 12.0641 12.3188 12.3845 k = 0.5202 0.3633-0.0803 ( 4115 PWs) bands (ev): -15.4968 -15.4968 -15.1933 -15.1923 -14.8758 -14.8733 -14.1188 -14.1138 -13.8478 -13.8429 -13.6023 -13.5999 -6.3078 -6.3032 -3.9525 -3.9461 -3.0141 -2.9986 -2.8434 -2.8277 -1.4934 -1.4881 -0.9945 -0.9605 -0.6440 -0.6028 -0.5091 -0.4454 -0.1960 -0.1496 0.6365 0.6448 0.8874 0.8924 1.3216 1.3271 1.7897 1.8206 2.2019 2.2426 2.8285 2.8499 3.0095 3.0429 3.1156 3.1230 3.5601 3.5640 3.8762 3.9060 7.9604 8.0069 9.7197 9.7803 10.7153 10.7767 12.0582 12.0654 12.3120 12.3855 k = 0.5231 0.3653-0.0676 ( 4117 PWs) bands (ev): -15.4997 -15.4996 -15.1900 -15.1888 -14.8766 -14.8738 -14.1216 -14.1162 -13.8445 -13.8393 -13.6037 -13.6010 -6.2934 -6.2883 -3.9797 -3.9732 -3.0224 -3.0059 -2.8395 -2.8230 -1.4792 -1.4739 -1.0074 -0.9708 -0.6400 -0.5969 -0.4982 -0.4334 -0.1831 -0.1325 0.6269 0.6371 0.8822 0.8868 1.3153 1.3218 1.7951 1.8318 2.1952 2.2347 2.8316 2.8563 3.0176 3.0541 3.1108 3.1185 3.5516 3.5559 3.8725 3.9066 7.9594 8.0121 9.7170 9.7849 10.7049 10.7737 12.0588 12.0671 12.3051 12.3848 k = 0.5260 0.3673-0.0549 ( 4117 PWs) bands (ev): -15.5031 -15.5028 -15.1863 -15.1849 -14.8772 -14.8742 -14.1243 -14.1187 -13.8411 -13.8357 -13.6052 -13.6021 -6.2775 -6.2718 -4.0093 -4.0030 -3.0307 -3.0136 -2.8345 -2.8175 -1.4656 -1.4604 -1.0217 -0.9830 -0.6331 -0.5883 -0.4863 -0.4218 -0.1684 -0.1144 0.6151 0.6272 0.8786 0.8826 1.3079 1.3156 1.7990 1.8416 2.1921 2.2287 2.8350 2.8629 3.0252 3.0647 3.1062 3.1142 3.5421 3.5467 3.8688 3.9073 7.9586 8.0175 9.7146 9.7895 10.6942 10.7700 12.0595 12.0690 12.2980 12.3825 k = 0.5288 0.3693-0.0422 ( 4121 PWs) bands (ev): -15.5069 -15.5065 -15.1821 -15.1807 -14.8777 -14.8744 -14.1269 -14.1212 -13.8376 -13.8322 -13.6068 -13.6034 -6.2600 -6.2539 -4.0410 -4.0350 -3.0390 -3.0216 -2.8283 -2.8111 -1.4533 -1.4483 -1.0372 -0.9971 -0.6236 -0.5771 -0.4736 -0.4107 -0.1521 -0.0952 0.6012 0.6151 0.8769 0.8802 1.2991 1.3081 1.8009 1.8494 2.1932 2.2255 2.8385 2.8696 3.0317 3.0741 3.1020 3.1106 3.5314 3.5364 3.8650 3.9078 7.9579 8.0230 9.7126 9.7939 10.6832 10.7656 12.0603 12.0713 12.2908 12.3784 k = 0.5317 0.3714-0.0295 ( 4127 PWs) bands (ev): -15.5113 -15.5107 -15.1776 -15.1760 -14.8780 -14.8745 -14.1293 -14.1237 -13.8342 -13.8288 -13.6085 -13.6048 -6.2413 -6.2348 -4.0743 -4.0688 -3.0471 -3.0296 -2.8211 -2.8040 -1.4428 -1.4380 -1.0536 -1.0127 -0.6119 -0.5635 -0.4599 -0.4002 -0.1342 -0.0751 0.5854 0.6008 0.8772 0.8801 1.2886 1.2994 1.8007 1.8544 2.1991 2.2264 2.8421 2.8760 3.0366 3.0811 3.0990 3.1084 3.5198 3.5251 3.8612 3.9084 7.9572 8.0286 9.7108 9.7983 10.6721 10.7606 12.0612 12.0738 12.2835 12.3725 k = 0.5346 0.3734-0.0168 ( 4132 PWs) bands (ev): -15.5162 -15.5155 -15.1726 -15.1710 -14.8780 -14.8743 -14.1316 -14.1261 -13.8309 -13.8257 -13.6103 -13.6062 -6.2214 -6.2145 -4.1088 -4.1040 -3.0547 -3.0375 -2.8129 -2.7960 -1.4343 -1.4296 -1.0708 -1.0294 -0.5986 -0.5478 -0.4451 -0.3904 -0.1152 -0.0544 0.5680 0.5846 0.8799 0.8822 1.2763 1.2890 1.7988 1.8563 2.2098 2.2320 2.8456 2.8821 3.0396 3.0834 3.0992 3.1078 3.5071 3.5127 3.8575 3.9090 7.9565 8.0343 9.7094 9.8026 10.6609 10.7552 12.0620 12.0766 12.2763 12.3648 k = 0.5375 0.3754-0.0041 ( 4125 PWs) bands (ev): -15.5217 -15.5207 -15.1674 -15.1656 -14.8777 -14.8739 -14.1335 -14.1282 -13.8278 -13.8229 -13.6121 -13.6077 -6.2005 -6.1934 -4.1440 -4.1400 -3.0620 -3.0451 -2.8039 -2.7873 -1.4282 -1.4232 -1.0885 -1.0470 -0.5845 -0.5303 -0.4291 -0.3813 -0.0954 -0.0332 0.5498 0.5670 0.8847 0.8868 1.2618 1.2768 1.7956 1.8553 2.2250 2.2426 2.8490 2.8877 3.0409 3.0810 3.1025 3.1083 3.4936 3.4994 3.8541 3.9097 7.9556 8.0402 9.7083 9.8068 10.6497 10.7494 12.0624 12.0796 12.2692 12.3553 k = 0.5404 0.3774 0.0086 ( 4133 PWs) bands (ev): -15.5277 -15.5265 -15.1617 -15.1599 -14.8771 -14.8731 -14.1352 -14.1302 -13.8250 -13.8204 -13.6141 -13.6092 -6.1790 -6.1716 -4.1794 -4.1764 -3.0687 -3.0524 -2.7941 -2.7780 -1.4247 -1.4190 -1.1065 -1.0652 -0.5704 -0.5115 -0.4118 -0.3732 -0.0751 -0.0119 0.5313 0.5486 0.8918 0.8939 1.2449 1.2625 1.7918 1.8520 2.2443 2.2580 2.8521 2.8927 3.0410 3.0768 3.1057 3.1094 3.4792 3.4852 3.8509 3.9105 7.9546 8.0461 9.7073 9.8110 10.6385 10.7435 12.0623 12.0828 12.2626 12.3442 k = 0.5404 0.3774 0.0086 ( 4133 PWs) bands (ev): -15.5277 -15.5265 -15.1617 -15.1599 -14.8771 -14.8731 -14.1352 -14.1302 -13.8250 -13.8204 -13.6141 -13.6092 -6.1790 -6.1716 -4.1794 -4.1764 -3.0687 -3.0524 -2.7941 -2.7780 -1.4247 -1.4190 -1.1065 -1.0652 -0.5704 -0.5115 -0.4118 -0.3732 -0.0751 -0.0119 0.5313 0.5486 0.8918 0.8939 1.2449 1.2625 1.7918 1.8520 2.2443 2.2580 2.8521 2.8927 3.0410 3.0768 3.1057 3.1094 3.4792 3.4852 3.8509 3.9105 7.9546 8.0461 9.7073 9.8110 10.6385 10.7435 12.0623 12.0828 12.2626 12.3442 k = 0.5373 0.3752 0.0216 ( 4131 PWs) bands (ev): -15.5262 -15.5250 -15.1571 -15.1545 -14.8813 -14.8768 -14.1346 -14.1299 -13.8254 -13.8211 -13.6185 -13.6137 -6.1614 -6.1543 -4.2072 -4.2045 -3.0802 -3.0648 -2.7769 -2.7613 -1.4159 -1.4099 -1.1195 -1.0826 -0.5566 -0.4989 -0.4041 -0.3564 -0.0690 -0.0086 0.5222 0.5395 0.8784 0.8809 1.2284 1.2471 1.7930 1.8516 2.2744 2.2848 2.8624 2.9012 3.0400 3.0730 3.1056 3.1091 3.4621 3.4686 3.8572 3.9148 7.9569 8.0420 9.7129 9.8093 10.6392 10.7335 12.0558 12.0791 12.2619 12.3363 k = 0.5342 0.3731 0.0346 ( 4127 PWs) bands (ev): -15.5255 -15.5242 -15.1517 -15.1485 -14.8853 -14.8803 -14.1340 -14.1295 -13.8258 -13.8219 -13.6231 -13.6184 -6.1435 -6.1366 -4.2354 -4.2330 -3.0900 -3.0756 -2.7601 -2.7452 -1.4076 -1.4012 -1.1326 -1.1000 -0.5442 -0.4865 -0.3965 -0.3413 -0.0618 -0.0047 0.5119 0.5289 0.8679 0.8708 1.2107 1.2302 1.7933 1.8491 2.3088 2.3169 2.8730 2.9095 3.0385 3.0688 3.1031 3.1073 3.4441 3.4509 3.8641 3.9190 7.9590 8.0376 9.7185 9.8075 10.6398 10.7240 12.0491 12.0743 12.2614 12.3285 k = 0.5311 0.3709 0.0476 ( 4121 PWs) bands (ev): -15.5254 -15.5241 -15.1457 -15.1420 -14.8891 -14.8837 -14.1334 -14.1292 -13.8261 -13.8225 -13.6276 -13.6231 -6.1254 -6.1188 -4.2636 -4.2613 -3.0983 -3.0851 -2.7439 -2.7299 -1.3998 -1.3931 -1.1455 -1.1170 -0.5330 -0.4749 -0.3887 -0.3281 -0.0534 -0.0003 0.5005 0.5171 0.8602 0.8635 1.1919 1.2120 1.7934 1.8452 2.3467 2.3533 2.8835 2.9173 3.0367 3.0643 3.0984 3.1038 3.4255 3.4325 3.8713 3.9231 7.9611 8.0331 9.7241 9.8056 10.6404 10.7150 12.0422 12.0688 12.2611 12.3209 k = 0.5280 0.3687 0.0606 ( 4129 PWs) bands (ev): -15.5258 -15.5245 -15.1394 -15.1352 -14.8926 -14.8870 -14.1328 -14.1289 -13.8264 -13.8232 -13.6321 -13.6277 -6.1075 -6.1014 -4.2911 -4.2890 -3.1053 -3.0933 -2.7287 -2.7157 -1.3924 -1.3855 -1.1581 -1.1334 -0.5227 -0.4646 -0.3807 -0.3170 -0.0442 0.0043 0.4884 0.5045 0.8554 0.8591 1.1722 1.1926 1.7933 1.8406 2.3874 2.3931 2.8935 2.9241 3.0348 3.0593 3.0916 3.0987 3.4068 3.4138 3.8786 3.9268 7.9632 8.0284 9.7297 9.8036 10.6411 10.7066 12.0356 12.0626 12.2610 12.3137 k = 0.5249 0.3666 0.0736 ( 4129 PWs) bands (ev): -15.5265 -15.5252 -15.1329 -15.1285 -14.8958 -14.8901 -14.1323 -14.1287 -13.8267 -13.8239 -13.6363 -13.6322 -6.0901 -6.0845 -4.3174 -4.3156 -3.1110 -3.1003 -2.7144 -2.7025 -1.3854 -1.3784 -1.1701 -1.1491 -0.5130 -0.4562 -0.3723 -0.3083 -0.0342 0.0092 0.4761 0.4915 0.8534 0.8576 1.1519 1.1723 1.7934 1.8358 2.4301 2.4353 2.9021 2.9292 3.0328 3.0534 3.0836 3.0920 3.3885 3.3953 3.8860 3.9302 7.9653 8.0237 9.7352 9.8014 10.6420 10.6987 12.0295 12.0561 12.2610 12.3068 k = 0.5217 0.3644 0.0866 ( 4127 PWs) bands (ev): -15.5274 -15.5262 -15.1265 -15.1221 -14.8986 -14.8930 -14.1317 -14.1284 -13.8270 -13.8245 -13.6403 -13.6365 -6.0736 -6.0685 -4.3422 -4.3406 -3.1157 -3.1063 -2.7012 -2.6906 -1.3788 -1.3719 -1.1813 -1.1638 -0.5039 -0.4497 -0.3637 -0.3017 -0.0239 0.0141 0.4641 0.4784 0.8539 0.8587 1.1314 1.1513 1.7938 1.8310 2.4743 2.4792 2.9083 2.9317 3.0309 3.0464 3.0756 3.0845 3.3711 3.3774 3.8934 3.9330 7.9676 8.0189 9.7406 9.7990 10.6430 10.6915 12.0240 12.0493 12.2612 12.3004 k = 0.5186 0.3622 0.0996 ( 4126 PWs) bands (ev): -15.5284 -15.5273 -15.1204 -15.1161 -14.9011 -14.8958 -14.1311 -14.1283 -13.8272 -13.8250 -13.6438 -13.6405 -6.0583 -6.0538 -4.3649 -4.3635 -3.1194 -3.1113 -2.6894 -2.6801 -1.3727 -1.3661 -1.1917 -1.1773 -0.4953 -0.4453 -0.3548 -0.2973 -0.0135 0.0189 0.4528 0.4658 0.8569 0.8621 1.1110 1.1301 1.7945 1.8264 2.5194 2.5240 2.9102 2.9304 3.0289 3.0385 3.0688 3.0769 3.3550 3.3607 3.9005 3.9353 7.9699 8.0141 9.7460 9.7964 10.6442 10.6849 12.0193 12.0425 12.2616 12.2945 k = 0.5155 0.3600 0.1126 ( 4127 PWs) bands (ev): -15.5293 -15.5284 -15.1148 -15.1108 -14.9032 -14.8983 -14.1306 -14.1282 -13.8273 -13.8255 -13.6470 -13.6441 -6.0446 -6.0407 -4.3850 -4.3838 -3.1223 -3.1155 -2.6791 -2.6712 -1.3670 -1.3609 -1.2009 -1.1895 -0.4871 -0.4429 -0.3458 -0.2949 -0.0035 0.0232 0.4425 0.4539 0.8618 0.8674 1.0913 1.1091 1.7955 1.8220 2.5648 2.5693 2.9057 2.9235 3.0259 3.0327 3.0639 3.0703 3.3405 3.3455 3.9073 3.9368 7.9724 8.0094 9.7513 9.7936 10.6456 10.6790 12.0155 12.0360 12.2623 12.2891 k = 0.5124 0.3579 0.1256 ( 4120 PWs) bands (ev): -15.5302 -15.5295 -15.1098 -15.1063 -14.9047 -14.9005 -14.1301 -14.1281 -13.8274 -13.8260 -13.6496 -13.6472 -6.0327 -6.0295 -4.4021 -4.4011 -3.1243 -3.1189 -2.6702 -2.6638 -1.3619 -1.3566 -1.2088 -1.2001 -0.4793 -0.4422 -0.3370 -0.2944 0.0057 0.0267 0.4338 0.4434 0.8683 0.8740 1.0730 1.0890 1.7969 1.8181 2.6099 2.6144 2.8936 2.9094 3.0226 3.0305 3.0607 3.0652 3.3282 3.3323 3.9135 3.9375 7.9751 8.0048 9.7564 9.7905 10.6472 10.6736 12.0127 12.0299 12.2632 12.2843 k = 0.5093 0.3557 0.1386 ( 4122 PWs) bands (ev): -15.5309 -15.5304 -15.1056 -15.1028 -14.9059 -14.9025 -14.1297 -14.1282 -13.8275 -13.8264 -13.6516 -13.6498 -6.0230 -6.0206 -4.4158 -4.4150 -3.1257 -3.1216 -2.6631 -2.6582 -1.3575 -1.3532 -1.2151 -1.2089 -0.4720 -0.4432 -0.3285 -0.2955 0.0137 0.0293 0.4270 0.4344 0.8756 0.8811 1.0572 1.0705 1.7986 1.8144 2.6543 2.6588 2.8740 2.8877 3.0216 3.0297 3.0587 3.0619 3.3183 3.3213 3.9193 3.9375 7.9780 8.0004 9.7614 9.7871 10.6492 10.6687 12.0111 12.0244 12.2644 12.2800 k = 0.5062 0.3535 0.1516 ( 4118 PWs) bands (ev): -15.5315 -15.5311 -15.1023 -15.1004 -14.9065 -14.9041 -14.1293 -14.1283 -13.8275 -13.8267 -13.6530 -13.6517 -6.0157 -6.0141 -4.4258 -4.4253 -3.1265 -3.1237 -2.6577 -2.6544 -1.3539 -1.3508 -1.2196 -1.2156 -0.4652 -0.4456 -0.3206 -0.2981 0.0204 0.0307 0.4222 0.4273 0.8829 0.8874 1.0449 1.0548 1.8006 1.8111 2.6970 2.7020 2.8483 2.8596 3.0227 3.0291 3.0577 3.0599 3.3111 3.3131 3.9243 3.9366 7.9811 7.9961 9.7663 9.7834 10.6515 10.6644 12.0105 12.0196 12.2659 12.2762 k = 0.5031 0.3514 0.1647 ( 4120 PWs) bands (ev): -15.5318 -15.5316 -15.1001 -15.0991 -14.9066 -14.9054 -14.1289 -14.1284 -13.8274 -13.8270 -13.6537 -13.6530 -6.0111 -6.0103 -4.4318 -4.4316 -3.1266 -3.1253 -2.6541 -2.6524 -1.3513 -1.3497 -1.2220 -1.2201 -0.4591 -0.4491 -0.3135 -0.3020 0.0255 0.0306 0.4199 0.4224 0.8889 0.8915 1.0378 1.0432 1.8028 1.8081 2.7369 2.7423 2.8188 2.8273 3.0247 3.0280 3.0576 3.0587 3.3068 3.3078 3.9286 3.9348 7.9845 7.9920 9.7709 9.7795 10.6541 10.6605 12.0112 12.0158 12.2678 12.2729 k = 0.5000 0.3492 0.1777 ( 4122 PWs) bands (ev): -15.5318 -15.5318 -15.0990 -15.0990 -14.9062 -14.9062 -14.1287 -14.1287 -13.8272 -13.8272 -13.6537 -13.6537 -6.0093 -6.0093 -4.4338 -4.4338 -3.1262 -3.1262 -2.6523 -2.6523 -1.3499 -1.3499 -1.2222 -1.2222 -0.4537 -0.4537 -0.3072 -0.3072 0.0289 0.0289 0.4199 0.4199 0.8920 0.8920 1.0372 1.0372 1.8053 1.8053 2.7655 2.7655 2.8002 2.8002 3.0265 3.0265 3.0580 3.0580 3.3057 3.3057 3.9321 3.9321 7.9881 7.9881 9.7753 9.7753 10.6571 10.6571 12.0129 12.0129 12.2701 12.2701 k = 0.5000 0.3492 0.1777 ( 4122 PWs) bands (ev): -15.5318 -15.5318 -15.0990 -15.0990 -14.9062 -14.9062 -14.1287 -14.1287 -13.8272 -13.8272 -13.6537 -13.6537 -6.0093 -6.0093 -4.4338 -4.4338 -3.1262 -3.1262 -2.6523 -2.6523 -1.3499 -1.3499 -1.2222 -1.2222 -0.4537 -0.4537 -0.3072 -0.3072 0.0289 0.0289 0.4199 0.4199 0.8920 0.8920 1.0372 1.0372 1.8053 1.8053 2.7655 2.7655 2.8002 2.8002 3.0265 3.0265 3.0580 3.0580 3.3057 3.3057 3.9321 3.9321 7.9881 7.9881 9.7753 9.7753 10.6571 10.6571 12.0129 12.0129 12.2701 12.2701 k = 0.5079 0.3379 0.1777 ( 4118 PWs) bands (ev): -15.5327 -15.5323 -15.0991 -15.0991 -14.9056 -14.9054 -14.1288 -14.1288 -13.8270 -13.8268 -13.6536 -13.6535 -6.0091 -6.0091 -4.4353 -4.4329 -3.1268 -3.1249 -2.6523 -2.6521 -1.3514 -1.3510 -1.2276 -1.2186 -0.4562 -0.4532 -0.3083 -0.3079 0.0269 0.0332 0.4197 0.4202 0.8911 0.8961 1.0391 1.0391 1.8065 1.8070 2.7639 2.7644 2.8005 2.8005 3.0175 3.0320 3.0530 3.0673 3.3053 3.3053 3.9310 3.9313 7.9765 8.0015 9.7716 9.7793 10.6560 10.6576 12.0110 12.0118 12.2688 12.2689 k = 0.5157 0.3267 0.1777 ( 4114 PWs) bands (ev): -15.5351 -15.5343 -15.0994 -15.0994 -14.9037 -14.9033 -14.1294 -14.1293 -13.8261 -13.8257 -13.6533 -13.6530 -6.0085 -6.0084 -4.4375 -4.4328 -3.1266 -3.1230 -2.6519 -2.6515 -1.3555 -1.3547 -1.2346 -1.2168 -0.4608 -0.4549 -0.3112 -0.3104 0.0270 0.0397 0.4195 0.4205 0.8932 0.9032 1.0447 1.0447 1.8105 1.8116 2.7596 2.7607 2.8015 2.8015 3.0082 3.0286 3.0575 3.0778 3.3039 3.3040 3.9279 3.9287 7.9666 8.0166 9.7683 9.7836 10.6542 10.6576 12.0061 12.0076 12.2650 12.2652 k = 0.5236 0.3154 0.1777 ( 4110 PWs) bands (ev): -15.5389 -15.5377 -15.0998 -15.0998 -14.9005 -14.8998 -14.1302 -14.1301 -13.8246 -13.8240 -13.6528 -13.6523 -6.0074 -6.0073 -4.4404 -4.4334 -3.1257 -3.1204 -2.6512 -2.6506 -1.3621 -1.3610 -1.2432 -1.2168 -0.4673 -0.4588 -0.3157 -0.3145 0.0293 0.0482 0.4194 0.4208 0.8983 0.9132 1.0539 1.0539 1.8173 1.8190 2.7528 2.7542 2.8031 2.8031 2.9991 3.0208 3.0672 3.0886 3.3017 3.3018 3.9230 3.9241 7.9583 8.0333 9.7652 9.7882 10.6518 10.6571 11.9981 12.0006 12.2587 12.2589 k = 0.5314 0.3042 0.1777 ( 4108 PWs) bands (ev): -15.5441 -15.5425 -15.1004 -15.1004 -14.8959 -14.8951 -14.1314 -14.1312 -13.8224 -13.8216 -13.6519 -13.6514 -6.0059 -6.0057 -4.4439 -4.4348 -3.1241 -3.1172 -2.6503 -2.6495 -1.3712 -1.3697 -1.2531 -1.2185 -0.4757 -0.4646 -0.3217 -0.3202 0.0337 0.0587 0.4193 0.4212 0.9062 0.9262 1.0664 1.0664 1.8270 1.8291 2.7434 2.7452 2.8054 2.8054 2.9907 3.0124 3.0780 3.0995 3.2986 3.2987 3.9162 3.9177 7.9516 8.0517 9.7625 9.7931 10.6487 10.6561 11.9872 11.9906 12.2501 12.2504 k = 0.5393 0.2929 0.1777 ( 4112 PWs) bands (ev): -15.5506 -15.5486 -15.1013 -15.1012 -14.8901 -14.8891 -14.1328 -14.1326 -13.8197 -13.8187 -13.6509 -13.6502 -6.0039 -6.0037 -4.4481 -4.4368 -3.1217 -3.1134 -2.6492 -2.6482 -1.3826 -1.3809 -1.2642 -1.2217 -0.4857 -0.4724 -0.3288 -0.3272 0.0402 0.0710 0.4194 0.4216 0.9169 0.9418 1.0818 1.0818 1.8394 1.8420 2.7318 2.7338 2.8083 2.8084 2.9830 3.0041 3.0891 3.1103 3.2947 3.2948 3.9077 3.9094 7.9465 8.0717 9.7602 9.7983 10.6449 10.6547 11.9735 11.9781 12.2393 12.2396 k = 0.5471 0.2817 0.1777 ( 4108 PWs) bands (ev): -15.5584 -15.5561 -15.1023 -15.1022 -14.8831 -14.8820 -14.1344 -14.1341 -13.8164 -13.8152 -13.6496 -13.6487 -6.0015 -6.0013 -4.4529 -4.4396 -3.1188 -3.1092 -2.6480 -2.6469 -1.3964 -1.3943 -1.2761 -1.2262 -0.4972 -0.4820 -0.3369 -0.3352 0.0486 0.0850 0.4195 0.4221 0.9302 0.9600 1.0997 1.0997 1.8545 1.8576 2.7180 2.7202 2.8119 2.8121 2.9759 2.9963 3.1001 3.1208 3.2899 3.2900 3.8973 3.8994 7.9429 8.0931 9.7583 9.8038 10.6405 10.6530 11.9572 11.9630 12.2265 12.2268 k = 0.5550 0.2704 0.1777 ( 4106 PWs) bands (ev): -15.5673 -15.5647 -15.1035 -15.1034 -14.8750 -14.8738 -14.1361 -14.1359 -13.8125 -13.8112 -13.6480 -13.6470 -5.9985 -5.9983 -4.4583 -4.4432 -3.1151 -3.1046 -2.6468 -2.6455 -1.4122 -1.4099 -1.2887 -1.2319 -0.5100 -0.4931 -0.3457 -0.3440 0.0587 0.1004 0.4198 0.4227 0.9459 0.9804 1.1198 1.1198 1.8722 1.8757 2.7023 2.7047 2.8162 2.8164 2.9695 2.9890 3.1108 3.1310 3.2842 3.2844 3.8854 3.8878 7.9405 8.1158 9.7569 9.8097 10.6353 10.6511 11.9385 11.9456 12.2119 12.2121 k = 0.5629 0.2592 0.1777 ( 4112 PWs) bands (ev): -15.5773 -15.5745 -15.1049 -15.1048 -14.8658 -14.8645 -14.1380 -14.1377 -13.8083 -13.8068 -13.6462 -13.6451 -5.9951 -5.9948 -4.4642 -4.4474 -3.1110 -3.0997 -2.6456 -2.6442 -1.4301 -1.4276 -1.3015 -1.2386 -0.5237 -0.5055 -0.3548 -0.3535 0.0704 0.1170 0.4201 0.4233 0.9637 1.0030 1.1416 1.1416 1.8922 1.8963 2.6848 2.6874 2.8210 2.8213 2.9636 2.9821 3.1213 3.1408 3.2777 3.2779 3.8718 3.8745 7.9394 8.1397 9.7560 9.8159 10.6294 10.6490 11.9177 11.9262 12.1956 12.1958 k = 0.5707 0.2480 0.1777 ( 4112 PWs) bands (ev): -15.5884 -15.5853 -15.1066 -15.1064 -14.8556 -14.8543 -14.1399 -14.1396 -13.8035 -13.8020 -13.6442 -13.6430 -5.9911 -5.9908 -4.4708 -4.4523 -3.1063 -3.0946 -2.6447 -2.6431 -1.4497 -1.4471 -1.3145 -1.2459 -0.5381 -0.5188 -0.3641 -0.3632 0.0834 0.1346 0.4205 0.4238 0.9834 1.0273 1.1648 1.1649 1.9146 1.9190 2.6660 2.6688 2.8265 2.8268 2.9581 2.9756 3.1313 3.1502 3.2704 3.2705 3.8568 3.8597 7.9393 8.1647 9.7556 9.8225 10.6227 10.6468 11.8950 11.9051 12.1780 12.1781 k = 0.5786 0.2367 0.1777 ( 4112 PWs) bands (ev): -15.6004 -15.5971 -15.1085 -15.1084 -14.8445 -14.8432 -14.1418 -14.1415 -13.7984 -13.7967 -13.6420 -13.6407 -5.9866 -5.9862 -4.4778 -4.4580 -3.1011 -3.0893 -2.6440 -2.6423 -1.4711 -1.4683 -1.3273 -1.2536 -0.5529 -0.5327 -0.3733 -0.3730 0.0976 0.1530 0.4208 0.4243 1.0047 1.0532 1.1890 1.1892 1.9389 1.9437 2.6459 2.6489 2.8325 2.8329 2.9531 2.9694 3.1408 3.1590 3.2622 3.2624 3.8405 3.8436 7.9402 8.1904 9.7558 9.8294 10.6155 10.6448 11.8707 11.8824 12.1591 12.1593 k = 0.5864 0.2255 0.1777 ( 4108 PWs) bands (ev): -15.6132 -15.6098 -15.1107 -15.1105 -14.8325 -14.8313 -14.1436 -14.1433 -13.7930 -13.7912 -13.6396 -13.6382 -5.9814 -5.9811 -4.4854 -4.4643 -3.0956 -3.0840 -2.6438 -2.6420 -1.4939 -1.4910 -1.3397 -1.2614 -0.5677 -0.5468 -0.3827 -0.3823 0.1127 0.1720 0.4210 0.4246 1.0273 1.0803 1.2141 1.2144 1.9650 1.9702 2.6249 2.6282 2.8391 2.8396 2.9484 2.9635 3.1497 3.1673 3.2533 3.2535 3.8229 3.8262 7.9418 8.2169 9.7566 9.8366 10.6075 10.6429 11.8452 11.8584 12.1393 12.1394 k = 0.5943 0.2142 0.1777 ( 4118 PWs) bands (ev): -15.6269 -15.6233 -15.1132 -15.1130 -14.8197 -14.8186 -14.1453 -14.1450 -13.7873 -13.7853 -13.6370 -13.6355 -5.9757 -5.9753 -4.4934 -4.4712 -3.0898 -3.0788 -2.6441 -2.6422 -1.5181 -1.5152 -1.3515 -1.2692 -0.5824 -0.5609 -0.3921 -0.3909 0.1286 0.1913 0.4211 0.4248 1.0511 1.1085 1.2398 1.2402 1.9926 1.9981 2.6032 2.6067 2.8463 2.8468 2.9439 2.9579 3.1581 3.1750 3.2437 3.2438 3.8042 3.8076 7.9440 8.2438 9.7580 9.8440 10.5989 10.6412 11.8188 11.8335 12.1188 12.1188 k = 0.6021 0.2030 0.1777 ( 4118 PWs) bands (ev): -15.6412 -15.6375 -15.1159 -15.1157 -14.8063 -14.8052 -14.1468 -14.1465 -13.7813 -13.7793 -13.6342 -13.6327 -5.9693 -5.9689 -4.5019 -4.4788 -3.0838 -3.0737 -2.6451 -2.6432 -1.5435 -1.5405 -1.3624 -1.2767 -0.5965 -0.5745 -0.4010 -0.3989 0.1449 0.2108 0.4210 0.4248 1.0755 1.1373 1.2659 1.2664 2.0213 2.0271 2.5811 2.5849 2.8540 2.8546 2.9396 2.9525 3.1658 3.1820 3.2334 3.2335 3.7845 3.7881 7.9467 8.2708 9.7600 9.8516 10.5898 10.6401 11.7918 11.8079 12.0976 12.0977 k = 0.6100 0.1917 0.1777 ( 4112 PWs) bands (ev): -15.6562 -15.6524 -15.1190 -15.1188 -14.7921 -14.7912 -14.1480 -14.1478 -13.7752 -13.7730 -13.6312 -13.6297 -5.9623 -5.9618 -4.5109 -4.4870 -3.0777 -3.0688 -2.6468 -2.6449 -1.5699 -1.5669 -1.3723 -1.2837 -0.6099 -0.5874 -0.4092 -0.4062 0.1615 0.2304 0.4207 0.4245 1.1005 1.1666 1.2923 1.2929 2.0507 2.0568 2.5587 2.5628 2.8622 2.8630 2.9354 2.9472 3.1728 3.1882 3.2226 3.2227 3.7640 3.7677 7.9497 8.2979 9.7626 9.8593 10.5803 10.6394 11.7647 11.7819 12.0762 12.0763 k = 0.6178 0.1805 0.1777 ( 4108 PWs) bands (ev): -15.6718 -15.6679 -15.1224 -15.1222 -14.7773 -14.7766 -14.1490 -14.1488 -13.7688 -13.7666 -13.6281 -13.6266 -5.9546 -5.9541 -4.5202 -4.4958 -3.0715 -3.0643 -2.6494 -2.6474 -1.5972 -1.5943 -1.3810 -1.2900 -0.6223 -0.5994 -0.4167 -0.4127 0.1782 0.2498 0.4202 0.4240 1.1256 1.1961 1.3189 1.3196 2.0806 2.0869 2.5363 2.5408 2.8709 2.8718 2.9314 2.9421 3.1786 3.1929 3.2117 3.2122 3.7428 3.7466 7.9527 8.3246 9.7656 9.8670 10.5704 10.6395 11.7377 11.7558 12.0546 12.0547 k = 0.6257 0.1692 0.1777 ( 4100 PWs) bands (ev): -15.6879 -15.6840 -15.1262 -15.1259 -14.7619 -14.7614 -14.1496 -14.1494 -13.7623 -13.7600 -13.6249 -13.6233 -5.9462 -5.9457 -4.5300 -4.5052 -3.0653 -3.0600 -2.6530 -2.6510 -1.6252 -1.6224 -1.3884 -1.2955 -0.6335 -0.6102 -0.4233 -0.4182 0.1948 0.2689 0.4195 0.4234 1.1507 1.2254 1.3454 1.3464 2.1104 2.1169 2.5141 2.5190 2.8800 2.8811 2.9276 2.9372 3.1820 3.1920 3.2021 3.2061 3.7210 3.7249 7.9557 8.3508 9.7691 9.8745 10.5603 10.6405 11.7112 11.7299 12.0331 12.0332 k = 0.6336 0.1580 0.1777 ( 4090 PWs) bands (ev): -15.7045 -15.7005 -15.1303 -15.1300 -14.7461 -14.7457 -14.1499 -14.1497 -13.7557 -13.7534 -13.6215 -13.6200 -5.9370 -5.9365 -4.5401 -4.5151 -3.0592 -3.0563 -2.6576 -2.6556 -1.6538 -1.6511 -1.3945 -1.3001 -0.6434 -0.6198 -0.4289 -0.4227 0.2110 0.2876 0.4187 0.4226 1.1754 1.2544 1.3719 1.3731 2.1397 2.1465 2.4925 2.4977 2.8896 2.8908 2.9240 2.9324 3.1782 3.1820 3.1985 3.2080 3.6989 3.7029 7.9585 8.3762 9.7728 9.8817 10.5502 10.6424 11.6854 11.7043 12.0119 12.0120 k = 0.6414 0.1467 0.1777 ( 4092 PWs) bands (ev): -15.7214 -15.7175 -15.1348 -15.1345 -14.7297 -14.7296 -14.1498 -14.1496 -13.7491 -13.7466 -13.6180 -13.6165 -5.9272 -5.9266 -4.5506 -4.5255 -3.0533 -3.0529 -2.6632 -2.6613 -1.6829 -1.6803 -1.3991 -1.3037 -0.6519 -0.6279 -0.4333 -0.4261 0.2269 0.3056 0.4178 0.4217 1.1996 1.2827 1.3983 1.3998 2.1681 2.1751 2.4715 2.4770 2.8994 2.9008 2.9206 2.9279 3.1675 3.1693 3.2008 3.2116 3.6765 3.6805 7.9610 8.4006 9.7765 9.8884 10.5404 10.6454 11.6606 11.6793 11.9911 11.9911 k = 0.6493 0.1355 0.1777 ( 4090 PWs) bands (ev): -15.7388 -15.7348 -15.1396 -15.1393 -14.7130 -14.7129 -14.1492 -14.1491 -13.7424 -13.7399 -13.6145 -13.6130 -5.9165 -5.9159 -4.5614 -4.5363 -3.0501 -3.0476 -2.6700 -2.6681 -1.7124 -1.7099 -1.4022 -1.3061 -0.6590 -0.6347 -0.4365 -0.4282 0.2420 0.3230 0.4170 0.4209 1.2228 1.3102 1.4244 1.4262 2.1952 2.2025 2.4515 2.4571 2.9091 2.9103 2.9183 2.9240 3.1548 3.1558 3.2042 3.2150 3.6540 3.6581 7.9630 8.4236 9.7800 9.8946 10.5311 10.6496 11.6370 11.6551 11.9709 11.9709 k = 0.6571 0.1242 0.1777 ( 4096 PWs) bands (ev): -15.7564 -15.7524 -15.1448 -15.1445 -14.6961 -14.6956 -14.1482 -14.1481 -13.7356 -13.7331 -13.6109 -13.6095 -5.9051 -5.9045 -4.5725 -4.5476 -3.0478 -3.0421 -2.6779 -2.6760 -1.7421 -1.7399 -1.4039 -1.3075 -0.6647 -0.6400 -0.4385 -0.4290 0.2565 0.3395 0.4163 0.4202 1.2450 1.3366 1.4502 1.4524 2.2206 2.2280 2.4327 2.4384 2.9121 2.9150 2.9241 2.9244 3.1415 3.1420 3.2076 3.2180 3.6316 3.6358 7.9643 8.4450 9.7830 9.8999 10.5227 10.6551 11.6150 11.6320 11.9514 11.9514 k = 0.3429-0.4909 0.3467 ( 4096 PWs) bands (ev): -15.7564 -15.7524 -15.1448 -15.1445 -14.6961 -14.6956 -14.1482 -14.1481 -13.7356 -13.7331 -13.6109 -13.6095 -5.9051 -5.9045 -4.5725 -4.5476 -3.0478 -3.0421 -2.6779 -2.6760 -1.7421 -1.7399 -1.4039 -1.3075 -0.6647 -0.6400 -0.4385 -0.4290 0.2565 0.3395 0.4163 0.4202 1.2450 1.3366 1.4502 1.4524 2.2206 2.2280 2.4327 2.4384 2.9121 2.9150 2.9241 2.9244 3.1415 3.1420 3.2076 3.2180 3.6316 3.6358 7.9643 8.4450 9.7830 9.8999 10.5227 10.6551 11.6150 11.6320 11.9514 11.9514 k = 0.3351-0.4798 0.3467 ( 4094 PWs) bands (ev): -15.7741 -15.7702 -15.1504 -15.1500 -14.6789 -14.6782 -14.1468 -14.1466 -13.7290 -13.7264 -13.6072 -13.6059 -5.8931 -5.8924 -4.5837 -4.5592 -3.0461 -3.0370 -2.6867 -2.6849 -1.7718 -1.7697 -1.4040 -1.3078 -0.6688 -0.6439 -0.4390 -0.4284 0.2698 0.3549 0.4160 0.4199 1.2657 1.3615 1.4753 1.4780 2.2436 2.2512 2.4154 2.4212 2.9094 2.9127 2.9331 2.9347 3.1281 3.1282 3.2105 3.2205 3.6096 3.6138 7.9649 8.4645 9.7852 9.9043 10.5156 10.6618 11.5947 11.6102 11.9329 11.9330 k = 0.3273-0.4686 0.3467 ( 4096 PWs) bands (ev): -15.7921 -15.7882 -15.1563 -15.1559 -14.6614 -14.6604 -14.1448 -14.1447 -13.7223 -13.7197 -13.6036 -13.6023 -5.8802 -5.8795 -4.5953 -4.5711 -3.0448 -3.0322 -2.6966 -2.6949 -1.8016 -1.7996 -1.4028 -1.3070 -0.6717 -0.6465 -0.4382 -0.4264 0.2822 0.3691 0.4164 0.4201 1.2849 1.3850 1.4998 1.5030 2.2639 2.2718 2.4000 2.4055 2.9066 2.9091 2.9434 2.9457 3.1148 3.1151 3.2130 3.2225 3.5880 3.5922 7.9647 8.4820 9.7864 9.9077 10.5099 10.6697 11.5763 11.5899 11.9155 11.9157 k = 0.3195-0.4575 0.3467 ( 4094 PWs) bands (ev): -15.8102 -15.8064 -15.1626 -15.1621 -14.6436 -14.6423 -14.1424 -14.1423 -13.7157 -13.7131 -13.5999 -13.5987 -5.8666 -5.8659 -4.6070 -4.5834 -3.0441 -3.0277 -2.7075 -2.7059 -1.8313 -1.8296 -1.4003 -1.3051 -0.6733 -0.6480 -0.4359 -0.4228 0.2933 0.3818 0.4177 0.4210 1.3026 1.4068 1.5237 1.5275 2.2810 2.2893 2.3866 2.3918 2.9038 2.9053 2.9536 2.9565 3.1020 3.1029 3.2149 3.2239 3.5668 3.5710 7.9636 8.4972 9.7862 9.9099 10.5060 10.6787 11.5597 11.5710 11.8992 11.8995 k = 0.3117-0.4463 0.3467 ( 4094 PWs) bands (ev): -15.8285 -15.8247 -15.1692 -15.1687 -14.6256 -14.6239 -14.1394 -14.1393 -13.7092 -13.7066 -13.5962 -13.5952 -5.8522 -5.8515 -4.6189 -4.5959 -3.0438 -3.0236 -2.7193 -2.7178 -1.8610 -1.8595 -1.3965 -1.3023 -0.6739 -0.6484 -0.4321 -0.4177 0.3033 0.3926 0.4204 0.4227 1.3185 1.4270 1.5467 1.5511 2.2944 2.3031 2.3760 2.3806 2.9012 2.9017 2.9628 2.9666 3.0906 3.0922 3.2163 3.2249 3.5462 3.5505 7.9615 8.5101 9.7845 9.9109 10.5041 10.6887 11.5450 11.5539 11.8843 11.8846 k = 0.3039-0.4352 0.3467 ( 4096 PWs) bands (ev): -15.8468 -15.8430 -15.1761 -15.1757 -14.6073 -14.6053 -14.1360 -14.1359 -13.7027 -13.7001 -13.5926 -13.5916 -5.8371 -5.8363 -4.6310 -4.6087 -3.0439 -3.0199 -2.7320 -2.7306 -1.8906 -1.8892 -1.3915 -1.2985 -0.6736 -0.6480 -0.4268 -0.4110 0.3120 0.4011 0.4252 0.4253 1.3327 1.4453 1.5687 1.5738 2.3032 2.3123 2.3686 2.3725 2.8982 2.8987 2.9702 2.9749 3.0814 3.0839 3.2171 3.2253 3.5264 3.5307 7.9583 8.5203 9.7811 9.9108 10.5042 10.6993 11.5324 11.5386 11.8707 11.8711 k = 0.2961-0.4240 0.3467 ( 4092 PWs) bands (ev): -15.8652 -15.8615 -15.1834 -15.1830 -14.5888 -14.5865 -14.1321 -14.1320 -13.6964 -13.6937 -13.5890 -13.5882 -5.8211 -5.8204 -4.6432 -4.6216 -3.0444 -3.0164 -2.7454 -2.7441 -1.9200 -1.9188 -1.3855 -1.2939 -0.6725 -0.6469 -0.4201 -0.4028 0.3194 0.4075 0.4290 0.4319 1.3450 1.4618 1.5894 1.5953 2.3072 2.3164 2.3649 2.3683 2.8950 2.8965 2.9744 2.9801 3.0759 3.0793 3.2174 3.2252 3.5074 3.5118 7.9540 8.5278 9.7760 9.9095 10.5063 10.7102 11.5219 11.5252 11.8585 11.8591 k = 0.2883-0.4128 0.3467 ( 4094 PWs) bands (ev): -15.8836 -15.8800 -15.1910 -15.1905 -14.5701 -14.5675 -14.1276 -14.1276 -13.6901 -13.6875 -13.5854 -13.5848 -5.8045 -5.8038 -4.6555 -4.6347 -3.0452 -3.0134 -2.7594 -2.7583 -1.9491 -1.9480 -1.3786 -1.2884 -0.6708 -0.6454 -0.4118 -0.3930 0.3255 0.4129 0.4339 0.4395 1.3555 1.4765 1.6087 1.6154 2.3072 2.3159 2.3640 2.3672 2.8920 2.8945 2.9745 2.9809 3.0753 3.0793 3.2172 3.2247 3.4894 3.4939 7.9486 8.5325 9.7692 9.9070 10.5104 10.7212 11.5135 11.5139 11.8480 11.8487 k = 0.2805-0.4017 0.3467 ( 4096 PWs) bands (ev): -15.9019 -15.8984 -15.1989 -15.1984 -14.5512 -14.5483 -14.1227 -14.1227 -13.6840 -13.6814 -13.5820 -13.5815 -5.7872 -5.7864 -4.6678 -4.6479 -3.0464 -3.0106 -2.7740 -2.7731 -1.9780 -1.9770 -1.3708 -1.2824 -0.6687 -0.6435 -0.4022 -0.3816 0.3306 0.4182 0.4400 0.4472 1.3642 1.4893 1.6262 1.6339 2.3049 2.3129 2.3644 2.3674 2.8893 2.8928 2.9704 2.9769 3.0799 3.0840 3.2164 3.2237 3.4724 3.4770 7.9420 8.5341 9.7609 9.9035 10.5161 10.7317 11.5048 11.5071 11.8391 11.8399 k = 0.2727-0.3905 0.3467 ( 4094 PWs) bands (ev): -15.9202 -15.9168 -15.2071 -15.2066 -14.5322 -14.5290 -14.1174 -14.1174 -13.6780 -13.6754 -13.5786 -13.5783 -5.7691 -5.7684 -4.6802 -4.6612 -3.0477 -3.0081 -2.7891 -2.7883 -2.0065 -2.0056 -1.3624 -1.2757 -0.6664 -0.6415 -0.3911 -0.3688 0.3346 0.4238 0.4473 0.4547 1.3711 1.5005 1.6417 1.6505 2.3018 2.3091 2.3646 2.3676 2.8869 2.8913 2.9630 2.9693 3.0885 3.0925 3.2152 3.2222 3.4566 3.4613 7.9343 8.5326 9.7514 9.8990 10.5231 10.7414 11.4978 11.5027 11.8319 11.8328 k = 0.2649-0.3794 0.3467 ( 4102 PWs) bands (ev): -15.9384 -15.9351 -15.2155 -15.2150 -14.5131 -14.5096 -14.1116 -14.1116 -13.6722 -13.6696 -13.5753 -13.5752 -5.7504 -5.7497 -4.6926 -4.6745 -3.0492 -3.0060 -2.8045 -2.8038 -2.0345 -2.0338 -1.3533 -1.2685 -0.6641 -0.6395 -0.3787 -0.3545 0.3378 0.4299 0.4557 0.4620 1.3763 1.5100 1.6547 1.6650 2.2989 2.3053 2.3641 2.3669 2.8847 2.8900 2.9533 2.9592 3.0996 3.1034 3.2135 3.2204 3.4420 3.4469 7.9254 8.5280 9.7409 9.8937 10.5309 10.7499 11.4931 11.5002 11.8263 11.8275 k = 0.2572-0.3682 0.3467 ( 4104 PWs) bands (ev): -15.9565 -15.9532 -15.2241 -15.2236 -14.4940 -14.4901 -14.1054 -14.1054 -13.6665 -13.6640 -13.5723 -13.5722 -5.7311 -5.7303 -4.7050 -4.6878 -3.0508 -3.0040 -2.8201 -2.8196 -2.0622 -2.0616 -1.3437 -1.2609 -0.6617 -0.6377 -0.3651 -0.3390 0.3402 0.4362 0.4655 0.4694 1.3800 1.5180 1.6651 1.6769 2.2964 2.3020 2.3629 2.3652 2.8828 2.8889 2.9423 2.9478 3.1121 3.1157 3.2113 3.2182 3.4287 3.4337 7.9153 8.5202 9.7297 9.8875 10.5391 10.7568 11.4905 11.4996 11.8226 11.8239 k = 0.2494-0.3570 0.3467 ( 4098 PWs) bands (ev): -15.9744 -15.9712 -15.2329 -15.2324 -14.4747 -14.4706 -14.0988 -14.0988 -13.6610 -13.6585 -13.5695 -13.5692 -5.7112 -5.7104 -4.7173 -4.7011 -3.0525 -3.0023 -2.8360 -2.8356 -2.0894 -2.0888 -1.3336 -1.2529 -0.6596 -0.6360 -0.3505 -0.3223 0.3420 0.4422 0.4764 0.4775 1.3821 1.5246 1.6724 1.6860 2.2946 2.2995 2.3610 2.3629 2.8810 2.8881 2.9306 2.9356 3.1252 3.1287 3.2088 3.2157 3.4167 3.4218 7.9042 8.5093 9.7182 9.8807 10.5474 10.7618 11.4899 11.5005 11.8206 11.8220 k = 0.2416-0.3459 0.3467 ( 4098 PWs) bands (ev): -15.9921 -15.9890 -15.2419 -15.2413 -14.4555 -14.4510 -14.0919 -14.0919 -13.6557 -13.6532 -13.5669 -13.5664 -5.6907 -5.6899 -4.7295 -4.7143 -3.0542 -3.0008 -2.8518 -2.8517 -2.1160 -2.1155 -1.3233 -1.2446 -0.6577 -0.6345 -0.3350 -0.3045 0.3432 0.4474 0.4870 0.4887 1.3829 1.5299 1.6762 1.6920 2.2934 2.2976 2.3590 2.3603 2.8792 2.8875 2.9186 2.9228 3.1384 3.1418 3.2059 3.2130 3.4061 3.4114 7.8920 8.4952 9.7066 9.8734 10.5552 10.7647 11.4910 11.5028 11.8202 11.8219 k = 0.2338-0.3347 0.3467 ( 4098 PWs) bands (ev): -16.0096 -16.0066 -15.2510 -15.2504 -14.4363 -14.4315 -14.0846 -14.0846 -13.6506 -13.6481 -13.5644 -13.5638 -5.6698 -5.6690 -4.7416 -4.7273 -3.0558 -2.9995 -2.8678 -2.8677 -2.1421 -2.1417 -1.3126 -1.2360 -0.6560 -0.6333 -0.3187 -0.2860 0.3440 0.4513 0.4982 0.5021 1.3823 1.5339 1.6764 1.6946 2.2928 2.2963 2.3572 2.3578 2.8771 2.8870 2.9069 2.9098 3.1511 3.1547 3.2028 3.2102 3.3969 3.4024 7.8788 8.4782 9.6951 9.8655 10.5623 10.7654 11.4934 11.5061 11.8216 11.8234 k = 0.2260-0.3236 0.3467 ( 4092 PWs) bands (ev): -16.0268 -16.0239 -15.2602 -15.2596 -14.4171 -14.4120 -14.0771 -14.0770 -13.6456 -13.6432 -13.5622 -13.5613 -5.6484 -5.6476 -4.7536 -4.7402 -3.0574 -2.9984 -2.8838 -2.8836 -2.1676 -2.1672 -1.3018 -1.2273 -0.6545 -0.6324 -0.3020 -0.2668 0.3445 0.4538 0.5114 0.5168 1.3805 1.5368 1.6728 1.6937 2.2927 2.2956 2.3560 2.3560 2.8737 2.8861 2.8964 2.8970 3.1629 3.1668 3.1997 3.2077 3.3892 3.3949 7.8647 8.4583 9.6841 9.8572 10.5683 10.7639 11.4969 11.5101 11.8246 11.8266 k = 0.2182-0.3124 0.3467 ( 4096 PWs) bands (ev): -16.0437 -16.0409 -15.2694 -15.2688 -14.3979 -14.3926 -14.0692 -14.0692 -13.6409 -13.6385 -13.5602 -13.5591 -5.6266 -5.6258 -4.7654 -4.7529 -3.0588 -2.9974 -2.8996 -2.8992 -2.1925 -2.1921 -1.2908 -1.2184 -0.6533 -0.6316 -0.2850 -0.2472 0.3449 0.4552 0.5264 0.5326 1.3774 1.5384 1.6653 1.6892 2.2929 2.2953 2.3552 2.3560 2.8670 2.8800 2.8893 2.8895 3.1729 3.1773 3.1973 3.2060 3.3830 3.3888 7.8498 8.4357 9.6734 9.8485 10.5732 10.7604 11.5009 11.5144 11.8291 11.8313 k = 0.2104-0.3013 0.3467 ( 4098 PWs) bands (ev): -16.0603 -16.0576 -15.2787 -15.2781 -14.3789 -14.3733 -14.0612 -14.0611 -13.6364 -13.6341 -13.5583 -13.5570 -5.6045 -5.6037 -4.7770 -4.7654 -3.0601 -2.9965 -2.9153 -2.9147 -2.2168 -2.2164 -1.2797 -1.2094 -0.6522 -0.6310 -0.2680 -0.2275 0.3453 0.4558 0.5427 0.5494 1.3730 1.5386 1.6543 1.6812 2.2932 2.2954 2.3557 2.3573 2.8565 2.8670 2.8861 2.8887 3.1795 3.1829 3.1987 3.2067 3.3784 3.3842 7.8341 8.4106 9.6634 9.8395 10.5768 10.7549 11.5050 11.5186 11.8351 11.8375 k = 0.2026-0.2901 0.3467 ( 4094 PWs) bands (ev): -16.0766 -16.0740 -15.2880 -15.2874 -14.3600 -14.3542 -14.0529 -14.0529 -13.6321 -13.6298 -13.5567 -13.5552 -5.5821 -5.5813 -4.7883 -4.7776 -3.0613 -2.9958 -2.9308 -2.9299 -2.2404 -2.2400 -1.2685 -1.2002 -0.6511 -0.6303 -0.2514 -0.2079 0.3461 0.4559 0.5602 0.5670 1.3673 1.5370 1.6404 1.6700 2.2935 2.2955 2.3578 2.3603 2.8440 2.8531 2.8850 2.8890 3.1815 3.1818 3.2056 3.2109 3.3753 3.3811 7.8178 8.3832 9.6540 9.8303 10.5791 10.7477 11.5088 11.5224 11.8424 11.8449 k = 0.1948-0.2789 0.3467 ( 4094 PWs) bands (ev): -16.0925 -16.0900 -15.2972 -15.2966 -14.3412 -14.3352 -14.0445 -14.0445 -13.6280 -13.6258 -13.5553 -13.5536 -5.5595 -5.5588 -4.7994 -4.7896 -3.0623 -2.9952 -2.9459 -2.9449 -2.2633 -2.2629 -1.2573 -1.1910 -0.6498 -0.6294 -0.2354 -0.1887 0.3474 0.4558 0.5785 0.5852 1.3600 1.5328 1.6246 1.6561 2.2937 2.2957 2.3617 2.3650 2.8306 2.8388 2.8849 2.8895 3.1781 3.1800 3.2139 3.2174 3.3737 3.3795 7.8009 8.3538 9.6452 9.8208 10.5801 10.7389 11.5119 11.5253 11.8509 11.8536 k = 0.1870-0.2678 0.3467 ( 4096 PWs) bands (ev): -16.1079 -16.1055 -15.3064 -15.3058 -14.3226 -14.3164 -14.0360 -14.0359 -13.6241 -13.6220 -13.5542 -13.5523 -5.5368 -5.5361 -4.8102 -4.8012 -3.0631 -2.9947 -2.9607 -2.9594 -2.2855 -2.2851 -1.2461 -1.1818 -0.6484 -0.6283 -0.2202 -0.1703 0.3494 0.4557 0.5972 0.6038 1.3511 1.5246 1.6087 1.6400 2.2937 2.2958 2.3672 2.3713 2.8169 2.8244 2.8854 2.8903 3.1736 3.1767 3.2216 3.2245 3.3736 3.3793 7.7836 8.3225 9.6371 9.8111 10.5798 10.7289 11.5140 11.5271 11.8604 11.8633 k = 0.1792-0.2566 0.3467 ( 4100 PWs) bands (ev): -16.1230 -16.1207 -15.3155 -15.3149 -14.3043 -14.2979 -14.0274 -14.0273 -13.6204 -13.6184 -13.5533 -13.5512 -5.5141 -5.5134 -4.8207 -4.8125 -3.0638 -2.9945 -2.9750 -2.9736 -2.3070 -2.3065 -1.2348 -1.1725 -0.6465 -0.6267 -0.2063 -0.1529 0.3525 0.4559 0.6162 0.6223 1.3404 1.5107 1.5950 1.6226 2.2935 2.2957 2.3742 2.3790 2.8029 2.8101 2.8863 2.8912 3.1688 3.1726 3.2284 3.2311 3.3749 3.3804 7.7661 8.2898 9.6296 9.8013 10.5785 10.7179 11.5147 11.5275 11.8709 11.8739 k = 0.1714-0.2455 0.3467 ( 4100 PWs) bands (ev): -16.1376 -16.1354 -15.3244 -15.3239 -14.2862 -14.2797 -14.0188 -14.0187 -13.6170 -13.6151 -13.5526 -13.5503 -5.4913 -5.4906 -4.8309 -4.8234 -3.0643 -2.9957 -2.9876 -2.9873 -2.3277 -2.3272 -1.2236 -1.1632 -0.6441 -0.6246 -0.1938 -0.1368 0.3567 0.4566 0.6349 0.6406 1.3275 1.4904 1.5847 1.6045 2.2931 2.2955 2.3824 2.3879 2.7891 2.7957 2.8875 2.8922 3.1637 3.1680 3.2342 3.2370 3.3775 3.3827 7.7484 8.2557 9.6227 9.7913 10.5761 10.7061 11.5141 11.5263 11.8821 11.8852 k = 0.1636-0.2343 0.3467 ( 4098 PWs) bands (ev): -16.1517 -16.1496 -15.3332 -15.3326 -14.2685 -14.2618 -14.0101 -14.0100 -13.6138 -13.6119 -13.5521 -13.5497 -5.4687 -5.4680 -4.8407 -4.8339 -3.0648 -3.0049 -3.0004 -2.9919 -2.3477 -2.3472 -1.2124 -1.1540 -0.6409 -0.6217 -0.1829 -0.1223 0.3622 0.4581 0.6530 0.6582 1.3125 1.4646 1.5775 1.5868 2.2925 2.2952 2.3917 2.3976 2.7753 2.7816 2.8889 2.8933 3.1585 3.1633 3.2391 3.2422 3.3813 3.3862 7.7306 8.2206 9.6163 9.7812 10.5729 10.6937 11.5119 11.5236 11.8939 11.8971 k = 0.1558-0.2232 0.3467 ( 4094 PWs) bands (ev): -16.1653 -16.1633 -15.3418 -15.3412 -14.2510 -14.2443 -14.0015 -14.0014 -13.6108 -13.6091 -13.5519 -13.5493 -5.4463 -5.4456 -4.8502 -4.8441 -3.0653 -3.0178 -3.0128 -2.9923 -2.3669 -2.3664 -1.2013 -1.1447 -0.6370 -0.6179 -0.1737 -0.1096 0.3692 0.4604 0.6701 0.6747 1.2952 1.4352 1.5699 1.5722 2.2919 2.2948 2.4016 2.4079 2.7619 2.7677 2.8905 2.8946 3.1533 3.1583 3.2431 3.2465 3.3860 3.3905 7.7131 8.1848 9.6104 9.7710 10.5690 10.6809 11.5082 11.5192 11.9063 11.9095 k = 0.1481-0.2120 0.3467 ( 4094 PWs) bands (ev): -16.1784 -16.1765 -15.3501 -15.3496 -14.2340 -14.2272 -13.9930 -13.9929 -13.6081 -13.6064 -13.5519 -13.5491 -5.4241 -5.4235 -4.8593 -4.8538 -3.0662 -3.0306 -3.0241 -2.9923 -2.3854 -2.3847 -1.1903 -1.1356 -0.6320 -0.6131 -0.1663 -0.0989 0.3774 0.4637 0.6856 0.6895 1.2760 1.4038 1.5546 1.5680 2.2912 2.2943 2.4118 2.4183 2.7488 2.7543 2.8923 2.8959 3.1480 3.1533 3.2463 3.2502 3.3915 3.3956 7.6957 8.1483 9.6050 9.7607 10.5645 10.6680 11.5031 11.5133 11.9189 11.9222 k = 0.1403-0.2008 0.3467 ( 4092 PWs) bands (ev): -16.1910 -16.1892 -15.3583 -15.3577 -14.2173 -14.2105 -13.9846 -13.9845 -13.6056 -13.6040 -13.5521 -13.5492 -5.4024 -5.4018 -4.8680 -4.8631 -3.0680 -3.0432 -3.0339 -2.9923 -2.4030 -2.4023 -1.1793 -1.1265 -0.6259 -0.6073 -0.1605 -0.0903 0.3870 0.4680 0.6988 0.7022 1.2554 1.3717 1.5411 1.5643 2.2904 2.2937 2.4221 2.4287 2.7364 2.7414 2.8943 2.8973 3.1427 3.1482 3.2490 3.2532 3.3975 3.4013 7.6788 8.1116 9.6001 9.7504 10.5596 10.6550 11.4967 11.5060 11.9319 11.9352 k = 0.1325-0.1897 0.3467 ( 4094 PWs) bands (ev): -16.2030 -16.2013 -15.3661 -15.3656 -14.2012 -14.1944 -13.9764 -13.9762 -13.6032 -13.6017 -13.5525 -13.5496 -5.3810 -5.3805 -4.8762 -4.8719 -3.0716 -3.0553 -3.0412 -2.9924 -2.4198 -2.4191 -1.1684 -1.1176 -0.6187 -0.6002 -0.1564 -0.0838 0.3976 0.4733 0.7091 0.7121 1.2343 1.3401 1.5297 1.5608 2.2897 2.2931 2.4321 2.4387 2.7247 2.7292 2.8964 2.8987 3.1374 3.1431 3.2513 3.2558 3.4040 3.4073 7.6625 8.0747 9.5955 9.7400 10.5545 10.6421 11.4891 11.4975 11.9449 11.9482 k = 0.1247-0.1785 0.3467 ( 4092 PWs) bands (ev): -16.2144 -16.2128 -15.3736 -15.3731 -14.1855 -14.1787 -13.9683 -13.9682 -13.6011 -13.5997 -13.5531 -13.5501 -5.3603 -5.3597 -4.8841 -4.8803 -3.0776 -3.0670 -3.0454 -2.9926 -2.4358 -2.4350 -1.1577 -1.1088 -0.6102 -0.5919 -0.1537 -0.0793 0.4091 0.4795 0.7158 0.7185 1.2136 1.3101 1.5201 1.5573 2.2890 2.2925 2.4416 2.4480 2.7139 2.7179 2.8986 2.9003 3.1322 3.1380 3.2531 3.2580 3.4107 3.4137 7.6468 8.0380 9.5915 9.7296 10.5491 10.6294 11.4805 11.4880 11.9580 11.9612 k = 0.1169-0.1674 0.3467 ( 4082 PWs) bands (ev): -16.2252 -16.2237 -15.3808 -15.3803 -14.1704 -14.1637 -13.9605 -13.9604 -13.5992 -13.5979 -13.5539 -13.5508 -5.3401 -5.3396 -4.8915 -4.8882 -3.0855 -3.0782 -3.0470 -2.9929 -2.4509 -2.4501 -1.1472 -1.1003 -0.6004 -0.5823 -0.1522 -0.0769 0.4213 0.4863 0.7181 0.7209 1.1947 1.2827 1.5123 1.5539 2.2883 2.2918 2.4503 2.4564 2.7041 2.7076 2.9010 2.9019 3.1271 3.1330 3.2547 3.2598 3.4175 3.4202 7.6320 8.0015 9.5878 9.7193 10.5437 10.6171 11.4712 11.4777 11.9709 11.9741 k = 0.1091-0.1562 0.3467 ( 4086 PWs) bands (ev): -16.2353 -16.2339 -15.3876 -15.3872 -14.1559 -14.1493 -13.9530 -13.9528 -13.5975 -13.5963 -13.5548 -13.5517 -5.3207 -5.3202 -4.8985 -4.8956 -3.0943 -3.0889 -3.0470 -2.9933 -2.4651 -2.4643 -1.1368 -1.0921 -0.5893 -0.5714 -0.1517 -0.0763 0.4338 0.4936 0.7154 0.7186 1.1785 1.2586 1.5062 1.5504 2.2877 2.2912 2.4580 2.4637 2.6957 2.6984 2.9034 2.9037 3.1221 3.1281 3.2561 3.2613 3.4243 3.4267 7.6183 7.9656 9.5845 9.7090 10.5383 10.6052 11.4613 11.4668 11.9837 11.9868 k = 0.1013-0.1451 0.3467 ( 4086 PWs) bands (ev): -16.2449 -16.2436 -15.3941 -15.3937 -14.1420 -14.1356 -13.9457 -13.9456 -13.5960 -13.5949 -13.5558 -13.5528 -5.3021 -5.3017 -4.9050 -4.9025 -3.1033 -3.0991 -3.0461 -2.9939 -2.4785 -2.4777 -1.1267 -1.0842 -0.5769 -0.5593 -0.1520 -0.0773 0.4463 0.5011 0.7074 0.7114 1.1660 1.2386 1.5015 1.5468 2.2872 2.2905 2.4644 2.4696 2.6886 2.6907 2.9054 2.9058 3.1172 3.1232 3.2573 3.2626 3.4310 3.4331 7.6057 7.9303 9.5817 9.6987 10.5331 10.5938 11.4510 11.4557 11.9963 11.9992 k = 0.0935-0.1339 0.3467 ( 4084 PWs) bands (ev): -16.2538 -16.2526 -15.4001 -15.3998 -14.1288 -14.1227 -13.9389 -13.9387 -13.5946 -13.5937 -13.5570 -13.5539 -5.2845 -5.2841 -4.9111 -4.9090 -3.1121 -3.1087 -3.0446 -2.9945 -2.4909 -2.4901 -1.1169 -1.0767 -0.5633 -0.5460 -0.1528 -0.0797 0.4585 0.5085 0.6941 0.6993 1.1574 1.2229 1.4980 1.5433 2.2866 2.2899 2.4695 2.4740 2.6830 2.6844 2.9073 2.9083 3.1125 3.1185 3.2584 3.2637 3.4376 3.4395 7.5943 7.8958 9.5793 9.6887 10.5281 10.5829 11.4407 11.4445 12.0085 12.0113 k = 0.0857-0.1227 0.3467 ( 4084 PWs) bands (ev): -16.2620 -16.2609 -15.4058 -15.4054 -14.1164 -14.1105 -13.9324 -13.9323 -13.5935 -13.5926 -13.5582 -13.5552 -5.2678 -5.2674 -4.9167 -4.9149 -3.1206 -3.1178 -3.0427 -2.9954 -2.5025 -2.5017 -1.1074 -1.0697 -0.5486 -0.5317 -0.1539 -0.0834 0.4702 0.5155 0.6763 0.6828 1.1527 1.2114 1.4956 1.5397 2.2862 2.2893 2.4731 2.4769 2.6789 2.6796 2.9092 2.9108 3.1081 3.1139 3.2594 3.2646 3.4439 3.4456 7.5844 7.8624 9.5774 9.6787 10.5234 10.5727 11.4304 11.4335 12.0203 12.0229 k = 0.0779-0.1116 0.3467 ( 4080 PWs) bands (ev): -16.2696 -16.2686 -15.4110 -15.4107 -14.1048 -14.0992 -13.9263 -13.9262 -13.5924 -13.5917 -13.5594 -13.5566 -5.2522 -5.2519 -4.9219 -4.9203 -3.1286 -3.1262 -3.0406 -2.9964 -2.5131 -2.5123 -1.0983 -1.0632 -0.5329 -0.5166 -0.1550 -0.0880 0.4809 0.5216 0.6551 0.6627 1.1515 1.2037 1.4941 1.5362 2.2858 2.2887 2.4753 2.4784 2.6763 2.6764 2.9111 2.9132 3.1039 3.1096 3.2602 3.2653 3.4500 3.4514 7.5761 7.8301 9.5760 9.6691 10.5191 10.5631 11.4204 11.4229 12.0315 12.0339 k = 0.0701-0.1004 0.3467 ( 4088 PWs) bands (ev): -16.2765 -16.2756 -15.4158 -15.4155 -14.0940 -14.0888 -13.9207 -13.9206 -13.5916 -13.5910 -13.5606 -13.5580 -5.2379 -5.2376 -4.9265 -4.9252 -3.1360 -3.1340 -3.0383 -2.9975 -2.5227 -2.5220 -1.0896 -1.0573 -0.5165 -0.5009 -0.1561 -0.0933 0.4902 0.5264 0.6320 0.6403 1.1530 1.1991 1.4934 1.5328 2.2854 2.2881 2.4761 2.4786 2.6744 2.6749 2.9130 2.9155 3.1000 3.1054 3.2610 3.2658 3.4556 3.4569 7.5694 7.7992 9.5750 9.6596 10.5152 10.5541 11.4108 11.4127 12.0421 12.0443 k = 0.0623-0.0893 0.3467 ( 4084 PWs) bands (ev): -16.2826 -16.2818 -15.4201 -15.4198 -14.0842 -14.0794 -13.9156 -13.9155 -13.5908 -13.5903 -13.5619 -13.5594 -5.2248 -5.2245 -4.9307 -4.9296 -3.1429 -3.1412 -3.0358 -2.9988 -2.5314 -2.5307 -1.0814 -1.0521 -0.4997 -0.4849 -0.1570 -0.0993 0.4974 0.5285 0.6093 0.6175 1.1566 1.1968 1.4934 1.5295 2.2851 2.2875 2.4759 2.4777 2.6737 2.6746 2.9150 2.9176 3.0964 3.1016 3.2618 3.2663 3.4609 3.4620 7.5645 7.7696 9.5747 9.6505 10.5118 10.5458 11.4019 11.4033 12.0520 12.0540 k = 0.0545-0.0781 0.3467 ( 4080 PWs) bands (ev): -16.2881 -16.2874 -15.4239 -15.4237 -14.0753 -14.0710 -13.9110 -13.9109 -13.5902 -13.5898 -13.5630 -13.5608 -5.2130 -5.2127 -4.9344 -4.9335 -3.1490 -3.1476 -3.0332 -3.0003 -2.5391 -2.5384 -1.0737 -1.0476 -0.4829 -0.4690 -0.1575 -0.1055 0.5013 0.5259 0.5903 0.5963 1.1615 1.1962 1.4940 1.5263 2.2849 2.2870 2.4748 2.4762 2.6738 2.6750 2.9169 2.9196 3.0932 3.0980 3.2625 3.2666 3.4657 3.4667 7.5615 7.7417 9.5749 9.6417 10.5089 10.5383 11.3936 11.3947 12.0610 12.0628 k = 0.0468-0.0669 0.3467 ( 4076 PWs) bands (ev): -16.2928 -16.2922 -15.4272 -15.4270 -14.0674 -14.0636 -13.9070 -13.9069 -13.5897 -13.5894 -13.5641 -13.5621 -5.2026 -5.2024 -4.9376 -4.9369 -3.1544 -3.1532 -3.0306 -3.0019 -2.5457 -2.5452 -1.0667 -1.0438 -0.4664 -0.4537 -0.1576 -0.1120 0.5000 0.5161 0.5786 0.5798 1.1671 1.1966 1.4951 1.5232 2.2847 2.2865 2.4732 2.4741 2.6746 2.6759 2.9187 2.9214 3.0904 3.0947 3.2631 3.2668 3.4700 3.4708 7.5604 7.7155 9.5757 9.6333 10.5065 10.5315 11.3863 11.3870 12.0692 12.0707 k = 0.0390-0.0558 0.3467 ( 4076 PWs) bands (ev): -16.2968 -16.2963 -15.4301 -15.4299 -14.0606 -14.0573 -13.9035 -13.9034 -13.5893 -13.5891 -13.5650 -13.5633 -5.1937 -5.1935 -4.9403 -4.9397 -3.1590 -3.1581 -3.0279 -3.0037 -2.5514 -2.5509 -1.0602 -1.0409 -0.4507 -0.4395 -0.1571 -0.1184 0.4922 0.5003 0.5703 0.5738 1.1730 1.1974 1.4965 1.5202 2.2846 2.2861 2.4713 2.4720 2.6758 2.6771 2.9203 2.9229 3.0881 3.0918 3.2637 3.2669 3.4737 3.4744 7.5615 7.6911 9.5771 9.6254 10.5048 10.5254 11.3799 11.3803 12.0763 12.0776 k = 0.0312-0.0446 0.3467 ( 4076 PWs) bands (ev): -16.3001 -16.2997 -15.4324 -15.4323 -14.0548 -14.0522 -13.9007 -13.9006 -13.5890 -13.5888 -13.5657 -13.5644 -5.1864 -5.1862 -4.9425 -4.9421 -3.1629 -3.1621 -3.0252 -3.0057 -2.5561 -2.5557 -1.0545 -1.0389 -0.4365 -0.4270 -0.1561 -0.1247 0.4799 0.4830 0.5670 0.5725 1.1787 1.1981 1.4982 1.5174 2.2845 2.2857 2.4694 2.4698 2.6771 2.6783 2.9219 2.9241 3.0862 3.0893 3.2643 3.2669 3.4768 3.4773 7.5646 7.6685 9.5791 9.6179 10.5037 10.5201 11.3745 11.3748 12.0823 12.0833 k = 0.0234-0.0335 0.3467 ( 4080 PWs) bands (ev): -16.3027 -16.3024 -15.4342 -15.4341 -14.0503 -14.0482 -13.8984 -13.8983 -13.5888 -13.5886 -13.5663 -13.5653 -5.1806 -5.1805 -4.9442 -4.9439 -3.1659 -3.1653 -3.0225 -3.0077 -2.5597 -2.5594 -1.0496 -1.0377 -0.4242 -0.4168 -0.1545 -0.1307 0.4667 0.4675 0.5670 0.5724 1.1840 1.1985 1.5002 1.5146 2.2844 2.2854 2.4677 2.4680 2.6784 2.6793 2.9232 2.9250 3.0848 3.0872 3.2648 3.2668 3.4793 3.4797 7.5699 7.6480 9.5817 9.6110 10.5033 10.5155 11.3702 11.3704 12.0871 12.0879 k = 0.0156-0.0223 0.3467 ( 4078 PWs) bands (ev): -16.3045 -16.3043 -15.4355 -15.4355 -14.0469 -14.0455 -13.8968 -13.8967 -13.5886 -13.5885 -13.5667 -13.5660 -5.1764 -5.1764 -4.9454 -4.9452 -3.1680 -3.1676 -3.0198 -3.0099 -2.5622 -2.5620 -1.0454 -1.0374 -0.4145 -0.4094 -0.1522 -0.1362 0.4554 0.4555 0.5684 0.5723 1.1886 1.1982 1.5023 1.5120 2.2844 2.2851 2.4664 2.4666 2.6794 2.6801 2.9242 2.9255 3.0839 3.0855 3.2653 3.2666 3.4811 3.4813 7.5774 7.6296 9.5850 9.6046 10.5035 10.5116 11.3672 11.3673 12.0906 12.0911 k = 0.0078-0.0112 0.3467 ( 4078 PWs) bands (ev): -16.3056 -16.3055 -15.4363 -15.4363 -14.0447 -14.0440 -13.8958 -13.8958 -13.5885 -13.5885 -13.5669 -13.5665 -5.1739 -5.1739 -4.9461 -4.9460 -3.1693 -3.1691 -3.0172 -3.0123 -2.5638 -2.5637 -1.0421 -1.0381 -0.4080 -0.4053 -0.1492 -0.1412 0.4479 0.4482 0.5699 0.5720 1.1924 1.1972 1.5046 1.5095 2.2845 2.2848 2.4656 2.4656 2.6802 2.6805 2.9250 2.9257 3.0835 3.0843 3.2657 3.2663 3.4822 3.4823 7.5872 7.6132 9.5890 9.5988 10.5045 10.5085 11.3653 11.3654 12.0928 12.0931 k = 0.0000 0.0000 0.3467 ( 4078 PWs) bands (ev): -16.3059 -16.3059 -15.4365 -15.4365 -14.0437 -14.0437 -13.8955 -13.8955 -13.5884 -13.5884 -13.5668 -13.5668 -5.1731 -5.1731 -4.9463 -4.9463 -3.1696 -3.1696 -3.0147 -3.0147 -2.5642 -2.5642 -1.0396 -1.0396 -0.4048 -0.4048 -0.1455 -0.1455 0.4455 0.4455 0.5712 0.5712 1.1953 1.1953 1.5070 1.5070 2.2846 2.2846 2.4653 2.4653 2.6806 2.6806 2.9255 2.9255 3.0837 3.0837 3.2660 3.2660 3.4826 3.4826 7.5991 7.5991 9.5936 9.5936 10.5061 10.5061 11.3647 11.3647 12.0936 12.0936 k = 0.0000 0.0000 0.3467 ( 4078 PWs) bands (ev): -16.3059 -16.3059 -15.4365 -15.4365 -14.0437 -14.0437 -13.8955 -13.8955 -13.5884 -13.5884 -13.5668 -13.5668 -5.1731 -5.1731 -4.9463 -4.9463 -3.1696 -3.1696 -3.0147 -3.0147 -2.5642 -2.5642 -1.0396 -1.0396 -0.4048 -0.4048 -0.1455 -0.1455 0.4455 0.4455 0.5712 0.5712 1.1953 1.1953 1.5070 1.5070 2.2846 2.2846 2.4653 2.4653 2.6806 2.6806 2.9255 2.9255 3.0837 3.0837 3.2660 3.2660 3.4826 3.4826 7.5991 7.5991 9.5936 9.5936 10.5061 10.5061 11.3647 11.3647 12.0936 12.0936 k = 0.0112 0.0078 0.3467 ( 4082 PWs) bands (ev): -16.3053 -16.3053 -15.4365 -15.4359 -14.0445 -14.0442 -13.8958 -13.8955 -13.5953 -13.5903 -13.5652 -13.5608 -5.1757 -5.1736 -4.9457 -4.9456 -3.1711 -3.1676 -3.0138 -3.0108 -2.5670 -2.5625 -1.0437 -1.0388 -0.4161 -0.3975 -0.1523 -0.1365 0.4341 0.4568 0.5608 0.5847 1.1934 1.1991 1.5072 1.5107 2.2833 2.2841 2.4648 2.4650 2.6770 2.6785 2.9247 2.9264 3.0803 3.0853 3.2635 3.2710 3.4823 3.4826 7.5885 7.6121 9.5788 9.6089 10.4997 10.5126 11.3648 11.3664 12.0900 12.0985 k = 0.0224 0.0157 0.3467 ( 4078 PWs) bands (ev): -16.3036 -16.3035 -15.4357 -15.4344 -14.0464 -14.0458 -13.8966 -13.8959 -13.6054 -13.5988 -13.5580 -13.5527 -5.1814 -5.1773 -4.9437 -4.9436 -3.1718 -3.1650 -3.0080 -3.0024 -2.5707 -2.5617 -1.0510 -1.0412 -0.4308 -0.3948 -0.1561 -0.1257 0.4233 0.4664 0.5549 0.6005 1.1937 1.2048 1.5114 1.5182 2.2802 2.2817 2.4633 2.4639 2.6682 2.6711 2.9238 2.9271 3.0756 3.0852 3.2634 3.2781 3.4816 3.4822 7.5805 7.6276 9.5645 9.6248 10.4932 10.5191 11.3667 11.3698 12.0876 12.1045 k = 0.0336 0.0235 0.3467 ( 4075 PWs) bands (ev): -16.3008 -16.3006 -15.4341 -15.4322 -14.0495 -14.0486 -13.8978 -13.8968 -13.6165 -13.6093 -13.5498 -13.5445 -5.1902 -5.1841 -4.9404 -4.9402 -3.1713 -3.1618 -2.9976 -2.9899 -2.5753 -2.5619 -1.0612 -1.0468 -0.4481 -0.3969 -0.1566 -0.1137 0.4134 0.4724 0.5556 0.6181 1.1963 1.2122 1.5195 1.5294 2.2752 2.2775 2.4607 2.4618 2.6547 2.6587 2.9229 2.9276 3.0698 3.0833 3.2658 3.2871 3.4806 3.4815 7.5750 7.6454 9.5508 9.6412 10.4865 10.5259 11.3704 11.3750 12.0863 12.1117 k = 0.0448 0.0313 0.3467 ( 4081 PWs) bands (ev): -16.2967 -16.2966 -15.4319 -15.4293 -14.0536 -14.0526 -13.8996 -13.8984 -13.6280 -13.6205 -13.5418 -13.5368 -5.2018 -5.1939 -4.9358 -4.9356 -3.1693 -3.1576 -2.9830 -2.9740 -2.5806 -2.5629 -1.0743 -1.0556 -0.4673 -0.4034 -0.1538 -0.1009 0.4045 0.4732 0.5636 0.6369 1.2010 1.2214 1.5313 1.5440 2.2684 2.2714 2.4566 2.4583 2.6372 2.6421 2.9217 2.9277 3.0632 3.0798 3.2704 3.2975 3.4794 3.4805 7.5721 7.6654 9.5377 9.6581 10.4796 10.5329 11.3759 11.3820 12.0862 12.1200 k = 0.0561 0.0391 0.3467 ( 4077 PWs) bands (ev): -16.2916 -16.2913 -15.4288 -15.4257 -14.0589 -14.0577 -13.9022 -13.9009 -13.6397 -13.6320 -13.5344 -13.5297 -5.2162 -5.2065 -4.9299 -4.9297 -3.1654 -3.1521 -2.9650 -2.9553 -2.5864 -2.5646 -1.0899 -1.0674 -0.4878 -0.4136 -0.1482 -0.0876 0.3963 0.4700 0.5777 0.6567 1.2081 1.2323 1.5466 1.5618 2.2596 2.2632 2.4506 2.4531 2.6169 2.6223 2.9201 2.9272 3.0560 3.0750 3.2768 3.3092 3.4779 3.4791 7.5715 7.6875 9.5253 9.6753 10.4724 10.5402 11.3833 11.3908 12.0872 12.1293 k = 0.0673 0.0470 0.3467 ( 4073 PWs) bands (ev): -16.2853 -16.2850 -15.4251 -15.4213 -14.0651 -14.0638 -13.9056 -13.9043 -13.6512 -13.6434 -13.5276 -13.5233 -5.2332 -5.2219 -4.9229 -4.9225 -3.1595 -3.1450 -2.9442 -2.9344 -2.5925 -2.5668 -1.1079 -1.0820 -0.5090 -0.4268 -0.1403 -0.0742 0.3887 0.4642 0.5958 0.6771 1.2174 1.2448 1.5651 1.5825 2.2486 2.2526 2.4422 2.4457 2.5949 2.6006 2.9180 2.9260 3.0486 3.0692 3.2847 3.3218 3.4763 3.4775 7.5734 7.7114 9.5135 9.6928 10.4647 10.5479 11.3925 11.4014 12.0892 12.1396 k = 0.0785 0.0548 0.3467 ( 4075 PWs) bands (ev): -16.2778 -16.2775 -15.4206 -15.4162 -14.0723 -14.0709 -13.9101 -13.9089 -13.6624 -13.6545 -13.5215 -13.5176 -5.2525 -5.2399 -4.9148 -4.9141 -3.1515 -3.1360 -2.9212 -2.9119 -2.5986 -2.5691 -1.1277 -1.0990 -0.5305 -0.4420 -0.1306 -0.0607 0.3815 0.4572 0.6161 0.6979 1.2289 1.2589 1.5862 1.6056 2.2348 2.2392 2.4311 2.4358 2.5723 2.5782 2.9153 2.9243 3.0410 3.0629 3.2935 3.3351 3.4745 3.4758 7.5775 7.7371 9.5023 9.7105 10.4566 10.5559 11.4036 11.4138 12.0920 12.1505 k = 0.0897 0.0626 0.3467 ( 4077 PWs) bands (ev): -16.2693 -16.2689 -15.4155 -15.4105 -14.0804 -14.0790 -13.9159 -13.9150 -13.6730 -13.6652 -13.5162 -13.5126 -5.2741 -5.2602 -4.9056 -4.9046 -3.1414 -3.1253 -2.8968 -2.8885 -2.6042 -2.5710 -1.1493 -1.1181 -0.5518 -0.4582 -0.1197 -0.0473 0.3745 0.4495 0.6375 0.7187 1.2425 1.2747 1.6095 1.6306 2.2176 2.2223 2.4176 2.4236 2.5503 2.5563 2.9121 2.9219 3.0337 3.0564 3.3030 3.3488 3.4727 3.4742 7.5837 7.7642 9.4918 9.7284 10.4480 10.5644 11.4166 11.4281 12.0957 12.1622 k = 0.1009 0.0705 0.3467 ( 4075 PWs) bands (ev): -16.2596 -16.2591 -15.4096 -15.4040 -14.0894 -14.0881 -13.9231 -13.9225 -13.6828 -13.6751 -13.5116 -13.5084 -5.2978 -5.2827 -4.8952 -4.8939 -3.1292 -3.1126 -2.8721 -2.8647 -2.6087 -2.5720 -1.1720 -1.1388 -0.5725 -0.4750 -0.1080 -0.0344 0.3674 0.4413 0.6595 0.7394 1.2581 1.2922 1.6344 1.6570 2.1958 2.2010 2.4023 2.4101 2.5295 2.5356 2.9082 2.9186 3.0270 3.0502 3.3128 3.3628 3.4708 3.4729 7.5919 7.7925 9.4821 9.7463 10.4390 10.5733 11.4314 11.4441 12.1000 12.1742 k = 0.1121 0.0783 0.3467 ( 4073 PWs) bands (ev): -16.2488 -16.2483 -15.4031 -15.3970 -14.0994 -14.0982 -13.9317 -13.9317 -13.6916 -13.6843 -13.5078 -13.5049 -5.3233 -5.3072 -4.8838 -4.8821 -3.1152 -3.0982 -2.8485 -2.8411 -2.6113 -2.5710 -1.1956 -1.1607 -0.5924 -0.4916 -0.0961 -0.0220 0.3602 0.4329 0.6814 0.7596 1.2754 1.3113 1.6600 1.6839 2.1683 2.1745 2.3865 2.3970 2.5101 2.5162 2.9036 2.9143 3.0214 3.0449 3.3225 3.3768 3.4691 3.4722 7.6018 7.8218 9.4732 9.7641 10.4294 10.5826 11.4481 11.4620 12.1048 12.1866 k = 0.1233 0.0861 0.3467 ( 4077 PWs) bands (ev): -16.2368 -16.2363 -15.3960 -15.3893 -14.1105 -14.1094 -13.9424 -13.9419 -13.6994 -13.6925 -13.5047 -13.5020 -5.3505 -5.3334 -4.8713 -4.8692 -3.0994 -3.0822 -2.8279 -2.8184 -2.6110 -2.5670 -1.2196 -1.1833 -0.6112 -0.5076 -0.0842 -0.0104 0.3527 0.4243 0.7029 0.7791 1.2941 1.3321 1.6857 1.7106 2.1346 2.1424 2.3713 2.3858 2.4918 2.4979 2.8980 2.9085 3.0173 3.0409 3.3317 3.3902 3.4680 3.4724 7.6134 7.8518 9.4651 9.7816 10.4195 10.5922 11.4666 11.4817 12.1100 12.1990 k = 0.1345 0.0939 0.3467 ( 4081 PWs) bands (ev): -16.2238 -16.2233 -15.3883 -15.3810 -14.1226 -14.1217 -13.9545 -13.9534 -13.7063 -13.6997 -13.5023 -13.4999 -5.3792 -5.3614 -4.8577 -4.8552 -3.0823 -3.0649 -2.8111 -2.7982 -2.6061 -2.5589 -1.2435 -1.2060 -0.6287 -0.5228 -0.0726 0.0002 0.3448 0.4157 0.7238 0.7978 1.3141 1.3544 1.7104 1.7360 2.0951 2.1046 2.3580 2.3779 2.4744 2.4805 2.8915 2.9011 3.0154 3.0388 3.3402 3.4023 3.4679 3.4739 7.6264 7.8822 9.4581 9.7987 10.4093 10.6022 11.4869 11.5032 12.1155 12.2114 k = 0.1457 0.1018 0.3467 ( 4080 PWs) bands (ev): -16.2097 -16.2091 -15.3799 -15.3721 -14.1360 -14.1352 -13.9679 -13.9661 -13.7121 -13.7059 -13.5007 -13.4984 -5.4092 -5.3907 -4.8430 -4.8401 -3.0642 -3.0465 -2.7990 -2.7824 -2.5952 -2.5455 -1.2670 -1.2283 -0.6448 -0.5368 -0.0617 0.0094 0.3365 0.4071 0.7437 0.8155 1.3349 1.3783 1.7330 1.7587 2.0510 2.0620 2.3468 2.3734 2.4576 2.4638 2.8840 2.8920 3.0159 3.0388 3.3476 3.4121 3.4697 3.4774 7.6405 7.9128 9.4521 9.8153 10.3990 10.6124 11.5090 11.5263 12.1211 12.2236 k = 0.1569 0.1096 0.3467 ( 4083 PWs) bands (ev): -16.1946 -16.1939 -15.3710 -15.3627 -14.1507 -14.1502 -13.9821 -13.9797 -13.7170 -13.7113 -13.4998 -13.4975 -5.4403 -5.4213 -4.8273 -4.8240 -3.0454 -3.0274 -2.7914 -2.7723 -2.5775 -2.5266 -1.2896 -1.2497 -0.6593 -0.5495 -0.0516 0.0172 0.3277 0.3987 0.7625 0.8321 1.3562 1.4033 1.7521 1.7764 2.0050 2.0165 2.3373 2.3720 2.4419 2.4480 2.8758 2.8815 3.0186 3.0410 3.3535 3.4185 3.4737 3.4839 7.6556 7.9432 9.4473 9.8311 10.3887 10.6229 11.5328 11.5512 12.1266 12.2353 k = 0.1682 0.1174 0.3467 ( 4087 PWs) bands (ev): -16.1784 -16.1777 -15.3616 -15.3528 -14.1671 -14.1666 -13.9967 -13.9938 -13.7212 -13.7159 -13.4995 -13.4971 -5.4724 -5.4529 -4.8106 -4.8068 -3.0264 -3.0079 -2.7878 -2.7678 -2.5531 -2.5024 -1.3108 -1.2696 -0.6722 -0.5607 -0.0427 0.0232 0.3185 0.3904 0.7801 0.8473 1.3773 1.4293 1.7646 1.7849 1.9615 1.9714 2.3287 2.3721 2.4283 2.4337 2.8668 2.8707 3.0234 3.0454 3.3579 3.4214 3.4797 3.4940 7.6715 7.9732 9.4438 9.8461 10.3786 10.6334 11.5582 11.5775 12.1321 12.2465 k = 0.1794 0.1253 0.3467 ( 4090 PWs) bands (ev): -16.1611 -16.1604 -15.3517 -15.3425 -14.1853 -14.1847 -14.0115 -14.0082 -13.7248 -13.7199 -13.4999 -13.4973 -5.5053 -5.4855 -4.7928 -4.7885 -3.0078 -2.9886 -2.7873 -2.7679 -2.5231 -2.4736 -1.3302 -1.2877 -0.6835 -0.5703 -0.0350 0.0274 0.3089 0.3825 0.7963 0.8611 1.3978 1.4556 1.7655 1.7770 1.9273 1.9335 2.3200 2.3709 2.4190 2.4219 2.8566 2.8614 3.0300 3.0517 3.3607 3.4218 3.4874 3.5071 7.6879 8.0023 9.4417 9.8600 10.3689 10.6440 11.5851 11.6054 12.1373 12.2571 k = 0.1906 0.1331 0.3467 ( 4088 PWs) bands (ev): -16.1428 -16.1420 -15.3414 -15.3317 -14.2055 -14.2045 -14.0260 -14.0224 -13.7279 -13.7235 -13.5010 -13.4981 -5.5388 -5.5187 -4.7741 -4.7693 -2.9900 -2.9699 -2.7888 -2.7711 -2.4888 -2.4410 -1.3475 -1.3035 -0.6931 -0.5782 -0.0289 0.0295 0.2988 0.3748 0.8110 0.8733 1.4167 1.4814 1.7473 1.7476 1.9051 1.9138 2.3107 2.3647 2.4106 2.4201 2.8460 2.8544 3.0379 3.0595 3.3623 3.4206 3.4965 3.5223 7.7045 8.0305 9.4411 9.8727 10.3599 10.6546 11.6134 11.6345 12.1422 12.2669 k = 0.2018 0.1409 0.3467 ( 4092 PWs) bands (ev): -16.1236 -16.1227 -15.3306 -15.3205 -14.2276 -14.2262 -14.0399 -14.0361 -13.7307 -13.7266 -13.5026 -13.4994 -5.5728 -5.5525 -4.7543 -4.7492 -2.9737 -2.9522 -2.7916 -2.7763 -2.4512 -2.4053 -1.3623 -1.3166 -0.7010 -0.5844 -0.0245 0.0296 0.2883 0.3674 0.8240 0.8839 1.4332 1.5053 1.7028 1.7096 1.8959 1.9082 2.3007 2.3541 2.4029 2.4274 2.8364 2.8496 3.0469 3.0685 3.3627 3.4187 3.5068 3.5388 7.7213 8.0573 9.4422 9.8840 10.3518 10.6650 11.6429 11.6648 12.1466 12.2758 k = 0.2130 0.1488 0.3467 ( 4098 PWs) bands (ev): -16.1033 -16.1024 -15.3195 -15.3091 -14.2516 -14.2499 -14.0531 -14.0492 -13.7332 -13.7296 -13.5047 -13.5011 -5.6070 -5.5867 -4.7337 -4.7281 -2.9593 -2.9359 -2.7951 -2.7825 -2.4109 -2.3670 -1.3743 -1.3267 -0.7073 -0.5889 -0.0219 0.0274 0.2774 0.3603 0.8352 0.8925 1.4451 1.5243 1.6529 1.6620 1.8946 1.9063 2.2906 2.3417 2.3971 2.4392 2.8291 2.8474 3.0565 3.0782 3.3625 3.4165 3.5182 3.5563 7.7380 8.0825 9.4448 9.8940 10.3450 10.6752 11.6735 11.6962 12.1505 12.2839 k = 0.2242 0.1566 0.3467 ( 4092 PWs) bands (ev): -16.0821 -16.0812 -15.3081 -15.2973 -14.2776 -14.2754 -14.0653 -14.0615 -13.7356 -13.7324 -13.5073 -13.5034 -5.6414 -5.6211 -4.7121 -4.7060 -2.9472 -2.9216 -2.7991 -2.7888 -2.3684 -2.3264 -1.3833 -1.3335 -0.7118 -0.5916 -0.0211 0.0232 0.2661 0.3534 0.8443 0.8988 1.4484 1.5291 1.6045 1.6219 1.8949 1.9036 2.2817 2.3292 2.3925 2.4537 2.8247 2.8482 3.0666 3.0883 3.3621 3.4143 3.5305 3.5745 7.7544 8.1058 9.4491 9.9024 10.3396 10.6851 11.7050 11.7283 12.1539 12.2910 k = 0.2354 0.1644 0.3467 ( 4089 PWs) bands (ev): -16.0600 -16.0590 -15.2964 -15.2854 -14.3052 -14.3026 -14.0766 -14.0729 -13.7380 -13.7352 -13.5104 -13.5061 -5.6758 -5.6556 -4.6896 -4.6831 -2.9379 -2.9097 -2.8038 -2.7941 -2.3239 -2.2838 -1.3890 -1.3370 -0.7148 -0.5927 -0.0225 0.0168 0.2545 0.3466 0.8508 0.9022 1.4350 1.5046 1.5645 1.6110 1.8939 1.8981 2.2750 2.3173 2.3889 2.4697 2.8239 2.8523 3.0767 3.0985 3.3616 3.4125 3.5434 3.5931 7.7703 8.1270 9.4550 9.9092 10.3358 10.6947 11.7371 11.7611 12.1567 12.2972 k = 0.2466 0.1722 0.3467 ( 4095 PWs) bands (ev): -16.0369 -16.0359 -15.2845 -15.2733 -14.3345 -14.3315 -14.0870 -14.0833 -13.7405 -13.7380 -13.5139 -13.5092 -5.7101 -5.6901 -4.6663 -4.6594 -2.9314 -2.9007 -2.8091 -2.7979 -2.2776 -2.2394 -1.3915 -1.3372 -0.7161 -0.5921 -0.0260 0.0084 0.2427 0.3399 0.8541 0.9022 1.4006 1.4581 1.5449 1.6172 1.8893 1.8903 2.2709 2.3060 2.3869 2.4869 2.8269 2.8595 3.0866 3.1082 3.3616 3.4112 3.5569 3.6121 7.7856 8.1460 9.4625 9.9144 10.3339 10.7038 11.7698 11.7942 12.1588 12.3024 k = 0.2578 0.1801 0.3467 ( 4098 PWs) bands (ev): -16.0130 -16.0119 -15.2725 -15.2611 -14.3651 -14.3618 -14.0964 -14.0929 -13.7430 -13.7409 -13.5178 -13.5127 -5.7442 -5.7244 -4.6422 -4.6350 -2.9276 -2.8949 -2.8144 -2.8007 -2.2297 -2.1934 -1.3906 -1.3339 -0.7159 -0.5900 -0.0317 -0.0020 0.2308 0.3332 0.8533 0.8977 1.3549 1.4057 1.5379 1.6248 1.8775 1.8838 2.2684 2.2953 2.3877 2.5053 2.8337 2.8695 3.0960 3.1173 3.3624 3.4105 3.5706 3.6313 7.8002 8.1625 9.4715 9.9182 10.3340 10.7124 11.8026 11.8275 12.1603 12.3067 k = 0.2690 0.1879 0.3467 ( 4096 PWs) bands (ev): -15.9882 -15.9871 -15.2605 -15.2489 -14.3970 -14.3933 -14.1049 -14.1016 -13.7457 -13.7439 -13.5221 -13.5166 -5.7778 -5.7584 -4.6173 -4.6098 -2.9262 -2.8924 -2.8190 -2.8029 -2.1803 -2.1457 -1.3865 -1.3275 -0.7142 -0.5862 -0.0399 -0.0144 0.2190 0.3265 0.8474 0.8874 1.3079 1.3547 1.5334 1.6286 1.8633 1.8751 2.2658 2.2856 2.3932 2.5252 2.8439 2.8820 3.1046 3.1253 3.3642 3.4107 3.5847 3.6508 7.8140 8.1764 9.4817 9.9205 10.3362 10.7205 11.8353 11.8608 12.1612 12.3100 k = 0.2803 0.1957 0.3467 ( 4091 PWs) bands (ev): -15.9627 -15.9615 -15.2485 -15.2368 -14.4298 -14.4259 -14.1125 -14.1095 -13.7486 -13.7470 -13.5267 -13.5207 -5.8109 -5.7919 -4.5916 -4.5839 -2.9270 -2.8931 -2.8228 -2.8051 -2.1296 -2.0968 -1.3793 -1.3180 -0.7112 -0.5811 -0.0506 -0.0289 0.2074 0.3197 0.8352 0.8701 1.2651 1.3084 1.5271 1.6263 1.8479 1.8651 2.2606 2.2770 2.4051 2.5465 2.8570 2.8963 3.1124 3.1320 3.3673 3.4118 3.5989 3.6703 7.8270 8.1877 9.4931 9.9215 10.3405 10.7280 11.8676 11.8937 12.1615 12.3125 k = 0.2915 0.2036 0.3467 ( 4100 PWs) bands (ev): -15.9364 -15.9352 -15.2366 -15.2249 -14.4633 -14.4592 -14.1193 -14.1165 -13.7517 -13.7503 -13.5315 -13.5253 -5.8433 -5.8248 -4.5654 -4.5575 -2.9295 -2.8964 -2.8259 -2.8074 -2.0778 -2.0467 -1.3692 -1.3058 -0.7068 -0.5746 -0.0639 -0.0455 0.1961 0.3129 0.8157 0.8451 1.2292 1.2689 1.5170 1.6165 1.8329 1.8551 2.2525 2.2693 2.4241 2.5695 2.8722 2.9119 3.1189 3.1372 3.3718 3.4140 3.6133 3.6897 7.8390 8.1963 9.5053 9.9214 10.3471 10.7349 11.8991 11.9261 12.1612 12.3142 k = 0.3027 0.2114 0.3467 ( 4099 PWs) bands (ev): -15.9093 -15.9081 -15.2248 -15.2132 -14.4974 -14.4932 -14.1253 -14.1228 -13.7551 -13.7537 -13.5366 -13.5300 -5.8750 -5.8570 -4.5386 -4.5306 -2.9335 -2.9019 -2.8286 -2.8100 -2.0251 -1.9957 -1.3565 -1.2912 -0.7013 -0.5668 -0.0798 -0.0642 0.1853 0.3059 0.7885 0.8127 1.2013 1.2370 1.5023 1.5988 1.8193 1.8460 2.2429 2.2614 2.4492 2.5940 2.8888 2.9282 3.1243 3.1407 3.3779 3.4173 3.6278 3.7091 7.8501 8.2020 9.5182 9.9201 10.3558 10.7411 11.9296 11.9577 12.1605 12.3151 k = 0.3139 0.2192 0.3467 ( 4101 PWs) bands (ev): -15.8817 -15.8804 -15.2135 -15.2020 -14.5319 -14.5276 -14.1306 -14.1282 -13.7588 -13.7573 -13.5420 -13.5351 -5.9058 -5.8884 -4.5112 -4.5032 -2.9387 -2.9089 -2.8313 -2.8128 -1.9719 -1.9440 -1.3415 -1.2746 -0.6946 -0.5579 -0.0985 -0.0849 0.1749 0.2985 0.7546 0.7742 1.1810 1.2124 1.4828 1.5736 1.8076 1.8385 2.2332 2.2531 2.4790 2.6198 2.9062 2.9448 3.1284 3.1426 3.3854 3.4216 3.6423 3.7282 7.8604 8.2051 9.5317 9.9179 10.3667 10.7466 11.9587 11.9882 12.1593 12.3152 k = 0.3251 0.2270 0.3467 ( 4096 PWs) bands (ev): -15.8534 -15.8521 -15.2025 -15.1913 -14.5665 -14.5621 -14.1351 -14.1328 -13.7628 -13.7611 -13.5475 -13.5403 -5.9356 -5.9188 -4.4835 -4.4756 -2.9451 -2.9170 -2.8339 -2.8156 -1.9183 -1.8919 -1.3246 -1.2563 -0.6871 -0.5479 -0.1204 -0.1073 0.1647 0.2907 0.7156 0.7320 1.1667 1.1940 1.4587 1.5423 1.7977 1.8327 2.2241 2.2450 2.5119 2.6465 2.9238 2.9612 3.1312 3.1430 3.3942 3.4269 3.6569 3.7471 7.8699 8.2053 9.5454 9.9148 10.3798 10.7515 11.9859 12.0173 12.1578 12.3148 k = 0.3363 0.2349 0.3467 ( 4099 PWs) bands (ev): -15.8246 -15.8232 -15.1921 -15.1812 -14.6010 -14.5967 -14.1389 -14.1366 -13.7671 -13.7651 -13.5531 -13.5458 -5.9643 -5.9481 -4.4554 -4.4478 -2.9524 -2.9260 -2.8365 -2.8183 -1.8647 -1.8399 -1.3060 -1.2368 -0.6786 -0.5369 -0.1460 -0.1307 0.1544 0.2819 0.6740 0.6884 1.1567 1.1799 1.4307 1.5063 1.7895 1.8286 2.2162 2.2376 2.5468 2.6737 2.9411 2.9772 3.1327 3.1421 3.4040 3.4330 3.6715 3.7655 7.8785 8.2030 9.5592 9.9108 10.3949 10.7556 12.0111 12.0447 12.1563 12.3139 k = 0.3475 0.2427 0.3467 ( 4102 PWs) bands (ev): -15.7954 -15.7940 -15.1825 -15.1720 -14.6351 -14.6309 -14.1420 -14.1397 -13.7716 -13.7693 -13.5589 -13.5514 -5.9918 -5.9763 -4.4272 -4.4199 -2.9607 -2.9358 -2.8386 -2.8207 -1.8115 -1.7883 -1.2863 -1.2165 -0.6695 -0.5252 -0.1752 -0.1550 0.1435 0.2714 0.6324 0.6458 1.1493 1.1685 1.3995 1.4674 1.7826 1.8258 2.2098 2.2312 2.5825 2.7009 2.9577 2.9924 3.1331 3.1401 3.4145 3.4397 3.6863 3.7833 7.8866 8.1980 9.5731 9.9058 10.4119 10.7591 12.0338 12.0697 12.1552 12.3128 k = 0.3587 0.2505 0.3467 ( 4107 PWs) bands (ev): -15.7658 -15.7644 -15.1737 -15.1638 -14.6685 -14.6646 -14.1444 -14.1419 -13.7763 -13.7737 -13.5647 -13.5571 -6.0179 -6.0032 -4.3989 -4.3921 -2.9698 -2.9462 -2.8402 -2.8224 -1.7591 -1.7376 -1.2658 -1.1958 -0.6598 -0.5126 -0.2074 -0.1802 0.1314 0.2585 0.5932 0.6063 1.1427 1.1579 1.3666 1.4274 1.7770 1.8240 2.2051 2.2262 2.6182 2.7276 2.9734 3.0067 3.1325 3.1372 3.4253 3.4468 3.7012 3.8006 7.8941 8.1905 9.5869 9.9000 10.4308 10.7618 12.0536 12.0912 12.1556 12.3116 k = 0.3699 0.2584 0.3467 ( 4109 PWs) bands (ev): -15.7361 -15.7346 -15.1661 -15.1569 -14.7009 -14.6973 -14.1460 -14.1434 -13.7812 -13.7783 -13.5706 -13.5630 -6.0427 -6.0288 -4.3708 -4.3645 -2.9797 -2.9572 -2.8409 -2.8232 -1.7081 -1.6882 -1.2448 -1.1751 -0.6497 -0.4994 -0.2421 -0.2064 0.1176 0.2420 0.5589 0.5718 1.1351 1.1464 1.3336 1.3881 1.7726 1.8230 2.2023 2.2229 2.6532 2.7536 2.9878 3.0198 3.1308 3.1339 3.4361 3.4541 3.7164 3.8170 7.9011 8.1808 9.6007 9.8932 10.4512 10.7637 12.0701 12.1070 12.1595 12.3108 k = 0.3811 0.2662 0.3467 ( 4110 PWs) bands (ev): -15.7064 -15.7049 -15.1597 -15.1515 -14.7319 -14.7288 -14.1470 -14.1441 -13.7863 -13.7830 -13.5765 -13.5689 -6.0659 -6.0528 -4.3429 -4.3374 -2.9902 -2.9688 -2.8404 -2.8230 -1.6589 -1.6407 -1.2239 -1.1550 -0.6392 -0.4856 -0.2787 -0.2333 0.1013 0.2211 0.5312 0.5437 1.1246 1.1318 1.3028 1.3516 1.7694 1.8228 2.2015 2.2214 2.6867 2.7783 3.0009 3.0318 3.1282 3.1306 3.4465 3.4612 3.7320 3.8327 7.9079 8.1688 9.6144 9.8855 10.4730 10.7647 12.0828 12.1151 12.1691 12.3108 k = 0.3924 0.2740 0.3467 ( 4115 PWs) bands (ev): -15.6768 -15.6753 -15.1549 -15.1478 -14.7610 -14.7586 -14.1473 -14.1441 -13.7916 -13.7880 -13.5823 -13.5748 -6.0875 -6.0752 -4.3155 -4.3109 -3.0013 -2.9808 -2.8387 -2.8215 -1.6121 -1.5957 -1.2033 -1.1357 -0.6284 -0.4713 -0.3166 -0.2608 0.0822 0.1952 0.5112 0.5232 1.1086 1.1122 1.2768 1.3203 1.7676 1.8235 2.2026 2.2216 2.7184 2.8013 3.0123 3.0424 3.1247 3.1274 3.4560 3.4680 3.7479 3.8474 7.9144 8.1549 9.6280 9.8768 10.4960 10.7649 12.0910 12.1171 12.1829 12.3118 k = 0.4036 0.2818 0.3467 ( 4113 PWs) bands (ev): -15.6477 -15.6462 -15.1519 -15.1461 -14.7877 -14.7861 -14.1469 -14.1434 -13.7970 -13.7931 -13.5881 -13.5808 -6.1075 -6.0960 -4.2889 -4.2853 -3.0126 -2.9930 -2.8356 -2.8187 -1.5685 -1.5540 -1.1835 -1.1178 -0.6174 -0.4566 -0.3548 -0.2883 0.0603 0.1649 0.4989 0.5107 1.0853 1.0862 1.2578 1.2959 1.7672 1.8250 2.2056 2.2237 2.7477 2.8226 3.0219 3.0516 3.1210 3.1242 3.4644 3.4740 3.7644 3.8610 7.9209 8.1393 9.6416 9.8673 10.5197 10.7642 12.0943 12.1163 12.1981 12.3141 k = 0.4148 0.2897 0.3467 ( 4109 PWs) bands (ev): -15.6195 -15.6179 -15.1508 -15.1464 -14.8117 -14.8110 -14.1458 -14.1419 -13.8025 -13.7984 -13.5937 -13.5867 -6.1256 -6.1150 -4.2633 -4.2608 -3.0242 -3.0053 -2.8308 -2.8142 -1.5287 -1.5162 -1.1648 -1.1018 -0.6064 -0.4415 -0.3924 -0.3155 0.0359 0.1314 0.4936 0.5061 1.0538 1.0546 1.2461 1.2790 1.7684 1.8276 2.2104 2.2275 2.7745 2.8417 3.0296 3.0594 3.1175 3.1208 3.4713 3.4791 3.7813 3.8736 7.9275 8.1222 9.6551 9.8569 10.5438 10.7625 12.0930 12.1139 12.2130 12.3180 k = 0.4260 0.2975 0.3467 ( 4120 PWs) bands (ev): -15.5926 -15.5910 -15.1516 -15.1488 -14.8330 -14.8321 -14.1440 -14.1399 -13.8081 -13.8038 -13.5992 -13.5926 -6.1419 -6.1321 -4.2389 -4.2377 -3.0357 -3.0176 -2.8244 -2.8081 -1.4936 -1.4831 -1.1474 -1.0881 -0.5954 -0.4327 -0.4216 -0.3418 0.0094 0.0958 0.4947 0.5085 1.0166 1.0180 1.2404 1.2686 1.7713 1.8314 2.2168 2.2330 2.7984 2.8584 3.0353 3.0658 3.1144 3.1174 3.4764 3.4829 3.7985 3.8849 7.9341 8.1039 9.6685 9.8459 10.5682 10.7596 12.0881 12.1097 12.2270 12.3232 k = 0.4372 0.3053 0.3467 ( 4124 PWs) bands (ev): -15.5677 -15.5662 -15.1539 -15.1528 -14.8512 -14.8493 -14.1416 -14.1372 -13.8137 -13.8093 -13.6044 -13.5983 -6.1563 -6.1473 -4.2164 -4.2159 -3.0471 -3.0296 -2.8162 -2.8001 -1.4640 -1.4554 -1.1318 -1.0771 -0.5847 -0.4633 -0.4082 -0.3667 -0.0184 0.0595 0.5017 0.5170 0.9763 0.9779 1.2391 1.2632 1.7760 1.8366 2.2247 2.2400 2.8194 2.8725 3.0390 3.0708 3.1116 3.1141 3.4795 3.4854 3.8160 3.8949 7.9410 8.0848 9.6818 9.8343 10.5923 10.7555 12.0810 12.1031 12.2400 12.3295 k = 0.4484 0.3132 0.3467 ( 4124 PWs) bands (ev): -15.5457 -15.5443 -15.1576 -15.1570 -14.8659 -14.8629 -14.1387 -14.1339 -13.8194 -13.8148 -13.6094 -13.6039 -6.1687 -6.1605 -4.1967 -4.1951 -3.0582 -3.0413 -2.8061 -2.7901 -1.4408 -1.4339 -1.1181 -1.0694 -0.5753 -0.4916 -0.3942 -0.3871 -0.0468 0.0233 0.5141 0.5306 0.9343 0.9360 1.2408 1.2614 1.7828 1.8434 2.2339 2.2484 2.8372 2.8840 3.0408 3.0745 3.1088 3.1113 3.4805 3.4862 3.8336 3.9034 7.9479 8.0653 9.6949 9.8226 10.6158 10.7502 12.0723 12.0941 12.2518 12.3367 k = 0.4596 0.3210 0.3467 ( 4133 PWs) bands (ev): -15.5277 -15.5265 -15.1617 -15.1599 -14.8771 -14.8731 -14.1352 -14.1302 -13.8250 -13.8204 -13.6141 -13.6092 -6.1790 -6.1716 -4.1794 -4.1764 -3.0687 -3.0524 -2.7941 -2.7780 -1.4247 -1.4190 -1.1065 -1.0652 -0.5704 -0.5115 -0.4118 -0.3732 -0.0751 -0.0119 0.5313 0.5486 0.8918 0.8939 1.2449 1.2625 1.7918 1.8520 2.2443 2.2580 2.8521 2.8927 3.0410 3.0768 3.1057 3.1094 3.4792 3.4852 3.8509 3.9105 7.9546 8.0461 9.7073 9.8110 10.6385 10.7435 12.0623 12.0828 12.2626 12.3442 k = 0.5000 0.3492-0.1691 ( 4110 PWs) bands (ev): -15.4881 -15.4881 -15.2041 -15.2041 -14.8715 -14.8715 -14.1057 -14.1057 -13.8591 -13.8591 -13.5970 -13.5970 -6.3554 -6.3554 -3.8547 -3.8547 -2.9775 -2.9775 -2.8432 -2.8432 -1.5569 -1.5569 -0.9425 -0.9425 -0.6181 -0.6181 -0.5271 -0.5271 -0.2247 -0.2247 0.6601 0.6601 0.9236 0.9236 1.3421 1.3421 1.7618 1.7618 2.2689 2.2689 2.8213 2.8213 2.9823 2.9823 3.1391 3.1391 3.5890 3.5890 3.8965 3.8965 7.9761 7.9761 9.7470 9.7470 10.7698 10.7698 12.0594 12.0594 12.3575 12.3575 k = 0.5079 0.3379-0.1691 ( 4108 PWs) bands (ev): -15.4892 -15.4891 -15.2042 -15.2038 -14.8706 -14.8705 -14.1057 -14.1055 -13.8593 -13.8592 -13.5970 -13.5967 -6.3547 -6.3547 -3.8564 -3.8564 -2.9778 -2.9777 -2.8418 -2.8418 -1.5627 -1.5556 -0.9558 -0.9299 -0.6339 -0.6011 -0.5274 -0.5269 -0.2239 -0.2229 0.6604 0.6605 0.9222 0.9239 1.3435 1.3442 1.7618 1.7624 2.2696 2.2697 2.8196 2.8227 2.9805 2.9846 3.1385 3.1388 3.5882 3.5891 3.8958 3.8960 7.9689 7.9847 9.7470 9.7474 10.7640 10.7732 12.0552 12.0631 12.3551 12.3552 k = 0.5158 0.3265-0.1691 ( 4106 PWs) bands (ev): -15.4924 -15.4923 -15.2039 -15.2031 -14.8679 -14.8677 -14.1054 -14.1050 -13.8597 -13.8595 -13.5969 -13.5963 -6.3528 -6.3527 -3.8617 -3.8615 -2.9785 -2.9784 -2.8376 -2.8375 -1.5731 -1.5589 -0.9694 -0.9187 -0.6474 -0.5851 -0.5271 -0.5261 -0.2206 -0.2185 0.6616 0.6618 0.9195 0.9229 1.3485 1.3497 1.7622 1.7634 2.2717 2.2719 2.8176 2.8236 2.9792 2.9874 3.1371 3.1376 3.5866 3.5883 3.8940 3.8943 7.9630 7.9946 9.7475 9.7483 10.7561 10.7742 12.0505 12.0662 12.3479 12.3483 k = 0.5237 0.3152-0.1691 ( 4110 PWs) bands (ev): -15.4977 -15.4976 -15.2033 -15.2021 -14.8635 -14.8632 -14.1049 -14.1042 -13.8604 -13.8601 -13.5966 -13.5956 -6.3495 -6.3495 -3.8702 -3.8700 -2.9797 -2.9796 -2.8307 -2.8307 -1.5876 -1.5667 -0.9833 -0.9097 -0.6579 -0.5745 -0.5276 -0.5190 -0.2148 -0.2117 0.6636 0.6639 0.9160 0.9209 1.3566 1.3587 1.7631 1.7649 2.2751 2.2754 2.8153 2.8239 2.9786 2.9905 3.1349 3.1357 3.5842 3.5868 3.8909 3.8914 7.9584 8.0059 9.7484 9.7498 10.7461 10.7728 12.0452 12.0687 12.3362 12.3369 k = 0.5317 0.3039-0.1691 ( 4108 PWs) bands (ev): -15.5050 -15.5048 -15.2023 -15.2007 -14.8573 -14.8569 -14.1041 -14.1032 -13.8613 -13.8609 -13.5962 -13.5948 -6.3450 -6.3449 -3.8819 -3.8816 -2.9815 -2.9813 -2.8213 -2.8213 -1.6060 -1.5788 -0.9974 -0.9039 -0.6652 -0.5728 -0.5280 -0.5029 -0.2066 -0.2026 0.6663 0.6668 0.9118 0.9182 1.3676 1.3708 1.7645 1.7669 2.2800 2.2804 2.8127 2.8236 2.9787 2.9939 3.1318 3.1328 3.5811 3.5846 3.8866 3.8874 7.9549 8.0186 9.7496 9.7517 10.7343 10.7689 12.0395 12.0705 12.3202 12.3214 k = 0.5396 0.2925-0.1691 ( 4102 PWs) bands (ev): -15.5141 -15.5139 -15.2011 -15.1991 -14.8496 -14.8491 -14.1030 -14.1019 -13.8624 -13.8620 -13.5955 -13.5939 -6.3392 -6.3390 -3.8964 -3.8961 -2.9836 -2.9834 -2.8097 -2.8096 -1.6278 -1.5947 -1.0118 -0.9021 -0.6695 -0.5779 -0.5272 -0.4800 -0.1961 -0.1913 0.6699 0.6706 0.9073 0.9149 1.3812 1.3856 1.7665 1.7696 2.2861 2.2866 2.8097 2.8226 2.9796 2.9976 3.1279 3.1292 3.5773 3.5816 3.8812 3.8821 7.9524 8.0326 9.7512 9.7543 10.7207 10.7625 12.0333 12.0717 12.3003 12.3020 k = 0.5475 0.2812-0.1691 ( 4104 PWs) bands (ev): -15.5250 -15.5247 -15.1995 -15.1971 -14.8404 -14.8399 -14.1016 -14.1004 -13.8638 -13.8633 -13.5946 -13.5927 -6.3321 -6.3319 -3.9136 -3.9132 -2.9863 -2.9860 -2.7960 -2.7959 -1.6526 -1.6141 -1.0267 -0.9047 -0.6718 -0.5870 -0.5242 -0.4535 -0.1834 -0.1780 0.6742 0.6751 0.9027 0.9115 1.3971 1.4030 1.7692 1.7728 2.2934 2.2940 2.8064 2.8207 2.9814 3.0016 3.1232 3.1248 3.5728 3.5779 3.8745 3.8756 7.9509 8.0480 9.7530 9.7575 10.7057 10.7538 12.0266 12.0722 12.2769 12.2794 k = 0.5554 0.2699-0.1691 ( 4104 PWs) bands (ev): -15.5374 -15.5371 -15.1977 -15.1949 -14.8300 -14.8294 -14.1000 -14.0986 -13.8654 -13.8648 -13.5936 -13.5913 -6.3237 -6.3236 -3.9330 -3.9326 -2.9894 -2.9891 -2.7805 -2.7803 -1.6799 -1.6366 -1.0422 -0.9116 -0.6738 -0.5986 -0.5176 -0.4248 -0.1688 -0.1628 0.6794 0.6806 0.8985 0.9082 1.4148 1.4224 1.7725 1.7768 2.3018 2.3025 2.8026 2.8178 2.9840 3.0058 3.1178 3.1195 3.5676 3.5734 3.8667 3.8680 7.9502 8.0646 9.7550 9.7613 10.6895 10.7428 12.0195 12.0720 12.2506 12.2540 k = 0.5633 0.2586-0.1691 ( 4106 PWs) bands (ev): -15.5512 -15.5509 -15.1955 -15.1924 -14.8185 -14.8178 -14.0982 -14.0965 -13.8672 -13.8665 -13.5923 -13.5898 -6.3142 -6.3140 -3.9544 -3.9540 -2.9930 -2.9926 -2.7634 -2.7633 -1.7094 -1.6619 -1.0585 -0.9223 -0.6773 -0.6121 -0.5064 -0.3947 -0.1524 -0.1460 0.6854 0.6869 0.8948 0.9053 1.4340 1.4436 1.7766 1.7814 2.3112 2.3121 2.7984 2.8139 2.9873 3.0100 3.1115 3.1136 3.5618 3.5683 3.8577 3.8592 7.9501 8.0823 9.7572 9.7657 10.6723 10.7296 12.0118 12.0708 12.2220 12.2264 k = 0.5712 0.2472-0.1691 ( 4104 PWs) bands (ev): -15.5663 -15.5660 -15.1931 -15.1896 -14.8059 -14.8052 -14.0961 -14.0943 -13.8691 -13.8683 -13.5909 -13.5880 -6.3034 -6.3032 -3.9776 -3.9771 -2.9969 -2.9965 -2.7451 -2.7449 -1.7407 -1.6893 -1.0755 -0.9361 -0.6834 -0.6272 -0.4903 -0.3635 -0.1345 -0.1278 0.6922 0.6941 0.8920 0.9032 1.4546 1.4663 1.7816 1.7870 2.3215 2.3226 2.7936 2.8091 2.9914 3.0143 3.1046 3.1069 3.5553 3.5625 3.8475 3.8492 7.9506 8.1011 9.7595 9.7708 10.6545 10.7144 12.0035 12.0686 12.1918 12.1973 k = 0.5791 0.2359-0.1691 ( 4104 PWs) bands (ev): -15.5826 -15.5823 -15.1904 -15.1865 -14.7926 -14.7918 -14.0937 -14.0918 -13.8713 -13.8704 -13.5892 -13.5861 -6.2915 -6.2912 -4.0021 -4.0016 -3.0013 -3.0008 -2.7258 -2.7255 -1.7734 -1.7188 -1.0935 -0.9524 -0.6924 -0.6437 -0.4698 -0.3317 -0.1152 -0.1084 0.6999 0.7023 0.8901 0.9019 1.4762 1.4902 1.7874 1.7933 2.3326 2.3339 2.7883 2.8032 2.9960 3.0185 3.0970 3.0997 3.5484 3.5562 3.8362 3.8381 7.9513 8.1208 9.7618 9.7765 10.6363 10.6976 11.9944 12.0648 12.1610 12.1673 k = 0.5870 0.2246-0.1691 ( 4098 PWs) bands (ev): -15.5999 -15.5995 -15.1875 -15.1832 -14.7785 -14.7776 -14.0911 -14.0890 -13.8736 -13.8726 -13.5874 -13.5840 -6.2784 -6.2780 -4.0277 -4.0272 -3.0060 -3.0055 -2.7057 -2.7053 -1.8072 -1.7498 -1.1123 -0.9707 -0.7040 -0.6613 -0.4456 -0.2993 -0.0949 -0.0881 0.7085 0.7115 0.8893 0.9017 1.4986 1.5151 1.7942 1.8006 2.3445 2.3459 2.7824 2.7963 3.0010 3.0224 3.0888 3.0920 3.5409 3.5492 3.8237 3.8258 7.9522 8.1413 9.7641 9.7827 10.6181 10.6792 11.9844 12.0585 12.1311 12.1371 k = 0.5950 0.2132-0.1691 ( 4110 PWs) bands (ev): -15.6180 -15.6177 -15.1843 -15.1797 -14.7638 -14.7629 -14.0883 -14.0861 -13.8760 -13.8750 -13.5853 -13.5817 -6.2642 -6.2638 -4.0543 -4.0538 -3.0110 -3.0105 -2.6849 -2.6846 -1.8420 -1.7821 -1.1319 -0.9907 -0.7179 -0.6799 -0.4186 -0.2666 -0.0738 -0.0672 0.7181 0.7218 0.8898 0.9027 1.5217 1.5407 1.8019 1.8089 2.3569 2.3585 2.7758 2.7885 3.0060 3.0256 3.0803 3.0840 3.5330 3.5417 3.8101 3.8124 7.9531 8.1624 9.7661 9.7895 10.6003 10.6598 11.9729 12.0469 12.1050 12.1077 k = 0.6029 0.2019-0.1691 ( 4104 PWs) bands (ev): -15.6369 -15.6366 -15.1809 -15.1759 -14.7486 -14.7477 -14.0852 -14.0829 -13.8785 -13.8774 -13.5830 -13.5791 -6.2488 -6.2484 -4.0815 -4.0810 -3.0164 -3.0158 -2.6637 -2.6633 -1.8774 -1.8154 -1.1524 -1.0120 -0.7336 -0.6993 -0.3897 -0.2339 -0.0522 -0.0458 0.7288 0.7332 0.8916 0.9049 1.5453 1.5669 1.8106 1.8181 2.3699 2.3716 2.7685 2.7799 3.0107 3.0278 3.0716 3.0763 3.5247 3.5338 3.7953 3.7978 7.9538 8.1839 9.7679 9.7967 10.5832 10.6395 11.9595 12.0270 12.0799 12.0865 k = 0.6108 0.1906-0.1691 ( 4106 PWs) bands (ev): -15.6565 -15.6562 -15.1773 -15.1719 -14.7331 -14.7321 -14.0819 -14.0796 -13.8812 -13.8800 -13.5805 -13.5764 -6.2324 -6.2320 -4.1092 -4.1087 -3.0221 -3.0215 -2.6423 -2.6418 -1.9132 -1.8494 -1.1736 -1.0343 -0.7507 -0.7193 -0.3594 -0.2012 -0.0304 -0.0245 0.7407 0.7459 0.8947 0.9085 1.5692 1.5935 1.8202 1.8283 2.3834 2.3852 2.7606 2.7704 3.0142 3.0279 3.0635 3.0697 3.5161 3.5254 3.7794 3.7822 7.9541 8.2057 9.7693 9.8041 10.5672 10.6188 11.9436 11.9996 12.0547 12.0750 k = 0.6187 0.1793-0.1691 ( 4104 PWs) bands (ev): -15.6767 -15.6764 -15.1735 -15.1678 -14.7173 -14.7163 -14.0784 -14.0760 -13.8838 -13.8826 -13.5778 -13.5735 -6.2150 -6.2146 -4.1372 -4.1367 -3.0281 -3.0274 -2.6207 -2.6202 -1.9494 -1.8840 -1.1954 -1.0575 -0.7688 -0.7398 -0.3282 -0.1687 -0.0087 -0.0033 0.7538 0.7600 0.8992 0.9133 1.5933 1.6203 1.8309 1.8395 2.3971 2.3990 2.7520 2.7602 3.0153 3.0249 3.0570 3.0650 3.5073 3.5168 3.7625 3.7655 7.9538 8.2275 9.7701 9.8117 10.5529 10.5982 11.9246 11.9687 12.0330 12.0668 k = 0.3813-0.5460-0.0000 ( 4104 PWs) bands (ev): -15.6767 -15.6764 -15.1735 -15.1678 -14.7173 -14.7163 -14.0784 -14.0760 -13.8838 -13.8826 -13.5778 -13.5735 -6.2150 -6.2146 -4.1372 -4.1367 -3.0281 -3.0274 -2.6207 -2.6202 -1.9494 -1.8840 -1.1954 -1.0575 -0.7688 -0.7398 -0.3282 -0.1687 -0.0087 -0.0033 0.7538 0.7600 0.8992 0.9133 1.5933 1.6203 1.8309 1.8395 2.3971 2.3990 2.7520 2.7602 3.0153 3.0249 3.0570 3.0650 3.5073 3.5168 3.7625 3.7655 7.9538 8.2275 9.7701 9.8117 10.5529 10.5982 11.9246 11.9687 12.0330 12.0668 k = 0.3735-0.5348-0.0000 ( 4100 PWs) bands (ev): -15.6971 -15.6967 -15.1696 -15.1636 -14.7015 -14.7005 -14.0748 -14.0723 -13.8865 -13.8851 -13.5749 -13.5704 -6.1969 -6.1965 -4.1648 -4.1643 -3.0343 -3.0335 -2.5995 -2.5989 -1.9850 -1.9184 -1.2173 -1.0810 -0.7873 -0.7603 -0.2970 -0.1371 0.0121 0.0169 0.7681 0.7752 0.9048 0.9194 1.6172 1.6468 1.8423 1.8514 2.4109 2.4129 2.7429 2.7494 3.0125 3.0186 3.0536 3.0628 3.4985 3.5080 3.7448 3.7481 7.9529 8.2488 9.7701 9.8190 10.5408 10.5783 11.9031 11.9373 12.0152 12.0597 k = 0.3657-0.5237-0.0000 ( 4096 PWs) bands (ev): -15.7178 -15.7175 -15.1656 -15.1592 -14.6857 -14.6846 -14.0709 -14.0684 -13.8891 -13.8877 -13.5717 -13.5671 -6.1779 -6.1774 -4.1924 -4.1920 -3.0408 -3.0398 -2.5784 -2.5778 -2.0206 -1.9529 -1.2396 -1.1049 -0.8063 -0.7809 -0.2655 -0.1059 0.0322 0.0363 0.7837 0.7920 0.9118 0.9266 1.6411 1.6733 1.8546 1.8643 2.4249 2.4270 2.7330 2.7380 3.0056 3.0094 3.0533 3.0622 3.4897 3.4991 3.7261 3.7297 7.9512 8.2698 9.7693 9.8259 10.5311 10.5592 11.8794 11.9060 12.0006 12.0528 k = 0.3580-0.5126-0.0000 ( 4102 PWs) bands (ev): -15.7389 -15.7386 -15.1614 -15.1548 -14.6698 -14.6687 -14.0669 -14.0643 -13.8917 -13.8903 -13.5684 -13.5636 -6.1580 -6.1575 -4.2199 -4.2195 -3.0476 -3.0464 -2.5576 -2.5569 -2.0561 -1.9874 -1.2621 -1.1292 -0.8255 -0.8015 -0.2341 -0.0753 0.0513 0.0546 0.8008 0.8104 0.9200 0.9351 1.6650 1.6996 1.8678 1.8779 2.4389 2.4411 2.7226 2.7261 2.9958 2.9984 3.0549 3.0622 3.4810 3.4900 3.7064 3.7103 7.9487 8.2901 9.7675 9.8321 10.5244 10.5414 11.8543 11.8752 11.9883 12.0457 k = 0.3502-0.5014-0.0000 ( 4096 PWs) bands (ev): -15.7603 -15.7600 -15.1571 -15.1502 -14.6540 -14.6529 -14.0627 -14.0601 -13.8943 -13.8927 -13.5648 -13.5599 -6.1373 -6.1367 -4.2472 -4.2468 -3.0547 -3.0533 -2.5371 -2.5363 -2.0912 -2.0217 -1.2846 -1.1535 -0.8446 -0.8218 -0.2030 -0.0453 0.0690 0.0715 0.8194 0.8304 0.9294 0.9446 1.6888 1.7257 1.8817 1.8922 2.4529 2.4551 2.7115 2.7136 2.9842 2.9863 3.0570 3.0622 3.4723 3.4810 3.6859 3.6901 7.9452 8.3097 9.7644 9.8373 10.5210 10.5252 11.8287 11.8453 11.9780 12.0383 k = 0.3424-0.4903-0.0000 ( 4092 PWs) bands (ev): -15.7820 -15.7817 -15.1528 -15.1456 -14.6382 -14.6371 -14.0582 -14.0557 -13.8967 -13.8951 -13.5611 -13.5560 -6.1157 -6.1151 -4.2741 -4.2738 -3.0622 -3.0605 -2.5171 -2.5162 -2.1259 -2.0558 -1.3071 -1.1778 -0.8634 -0.8416 -0.1722 -0.0162 0.0852 0.0870 0.8395 0.8521 0.9401 0.9553 1.7125 1.7515 1.8963 1.9073 2.4669 2.4691 2.6998 2.7007 2.9716 2.9733 3.0589 3.0617 3.4639 3.4721 3.6644 3.6690 7.9408 8.3284 9.7600 9.8411 10.5109 10.5214 11.8031 11.8164 11.9690 12.0305 k = 0.3346-0.4791-0.0000 ( 4100 PWs) bands (ev): -15.8038 -15.8035 -15.1484 -15.1409 -14.6227 -14.6215 -14.0537 -14.0511 -13.8990 -13.8974 -13.5571 -13.5519 -6.0934 -6.0928 -4.3006 -4.3004 -3.0700 -3.0680 -2.4977 -2.4967 -2.1602 -2.0895 -1.3294 -1.2019 -0.8818 -0.8609 -0.1420 0.0120 0.0998 0.1007 0.8609 0.8753 0.9520 0.9670 1.7359 1.7768 1.9116 1.9228 2.4806 2.4829 2.6873 2.6876 2.9584 2.9598 3.0601 3.0605 3.4558 3.4634 3.6421 3.6471 7.9354 8.3459 9.7541 9.8435 10.4989 10.5257 11.7778 11.7886 11.9610 12.0221 k = 0.3268-0.4680-0.0000 ( 4106 PWs) bands (ev): -15.8257 -15.8254 -15.1439 -15.1362 -14.6073 -14.6062 -14.0489 -14.0464 -13.9012 -13.8995 -13.5529 -13.5477 -6.0704 -6.0697 -4.3266 -4.3264 -3.0781 -3.0758 -2.4790 -2.4779 -2.1937 -2.1226 -1.3513 -1.2256 -0.8994 -0.8793 -0.1126 0.0391 0.1127 0.1128 0.8833 0.9000 0.9654 0.9797 1.7591 1.8015 1.9273 1.9389 2.4940 2.4963 2.6736 2.6749 2.9448 2.9459 3.0583 3.0603 3.4481 3.4550 3.6191 3.6245 7.9290 8.3621 9.7466 9.8441 10.4893 10.5342 11.7532 11.7618 11.9541 12.0132 k = 0.3191-0.4568-0.0000 ( 4108 PWs) bands (ev): -15.8477 -15.8475 -15.1394 -15.1314 -14.5923 -14.5911 -14.0440 -14.0416 -13.9031 -13.9013 -13.5485 -13.5432 -6.0467 -6.0459 -4.3520 -4.3520 -3.0866 -3.0840 -2.4612 -2.4600 -2.2266 -2.1551 -1.3727 -1.2488 -0.9161 -0.8966 -0.0839 0.0647 0.1229 0.1242 0.9063 0.9259 0.9804 0.9936 1.7820 1.8256 1.9434 1.9552 2.5068 2.5093 2.6597 2.6618 2.9311 2.9320 3.0552 3.0594 3.4408 3.4470 3.5954 3.6012 7.9218 8.3768 9.7377 9.8430 10.4822 10.5467 11.7293 11.7362 11.9481 12.0039 k = 0.3113-0.4457-0.0000 ( 4106 PWs) bands (ev): -15.8698 -15.8695 -15.1349 -15.1267 -14.5776 -14.5763 -14.0389 -14.0366 -13.9047 -13.9030 -13.5439 -13.5386 -6.0224 -6.0215 -4.3769 -4.3769 -3.0956 -3.0925 -2.4444 -2.4430 -2.2586 -2.1869 -1.3934 -1.2713 -0.9315 -0.9127 -0.0564 0.0883 0.1314 0.1346 0.9293 0.9524 0.9976 1.0088 1.8045 1.8489 1.9598 1.9718 2.5189 2.5216 2.6456 2.6485 2.9175 2.9181 3.0510 3.0572 3.4340 3.4394 3.5711 3.5774 7.9138 8.3901 9.7274 9.8401 10.4774 10.5632 11.7062 11.7115 11.9430 11.9941 k = 0.3035-0.4346-0.0000 ( 4108 PWs) bands (ev): -15.8918 -15.8916 -15.1304 -15.1220 -14.5633 -14.5620 -14.0337 -14.0315 -13.9061 -13.9043 -13.5391 -13.5338 -5.9974 -5.9965 -4.4011 -4.4010 -3.1050 -3.1015 -2.4288 -2.4272 -2.2897 -2.2179 -1.4132 -1.2929 -0.9455 -0.9274 -0.0300 0.1085 0.1382 0.1454 0.9513 0.9789 1.0173 1.0259 1.8266 1.8714 1.9764 1.9884 2.5299 2.5330 2.6315 2.6352 2.9042 2.9044 3.0457 3.0536 3.4277 3.4323 3.5462 3.5530 7.9051 8.4017 9.7158 9.8357 10.4750 10.5834 11.6839 11.6879 11.9390 11.9839 k = 0.2957-0.4234-0.0000 ( 4112 PWs) bands (ev): -15.9138 -15.9136 -15.1259 -15.1174 -14.5494 -14.5481 -14.0284 -14.0263 -13.9071 -13.9053 -13.5341 -13.5288 -5.9719 -5.9710 -4.4247 -4.4245 -3.1149 -3.1109 -2.4148 -2.4126 -2.3195 -2.2480 -1.4321 -1.3135 -0.9579 -0.9402 -0.0050 0.1229 0.1437 0.1589 0.9719 1.0038 1.0401 1.0459 1.8482 1.8929 1.9930 2.0049 2.5391 2.5429 2.6178 2.6225 2.8913 2.8913 3.0393 3.0487 3.4219 3.4258 3.5209 3.5283 7.8959 8.4117 9.7031 9.8298 10.4746 10.6067 11.6622 11.6651 11.9361 11.9735 k = 0.2879-0.4123-0.0000 ( 4118 PWs) bands (ev): -15.9357 -15.9355 -15.1215 -15.1128 -14.5361 -14.5348 -14.0229 -14.0209 -13.9078 -13.9059 -13.5289 -13.5236 -5.9460 -5.9450 -4.4474 -4.4472 -3.1253 -3.1208 -2.4029 -2.3996 -2.3476 -2.2772 -1.4498 -1.3331 -0.9683 -0.9512 0.0182 0.1307 0.1481 0.1759 0.9907 1.0260 1.0658 1.0698 1.8693 1.9132 2.0095 2.0213 2.5455 2.5504 2.6053 2.6112 2.8789 2.8793 3.0318 3.0423 3.4166 3.4197 3.4953 3.5033 7.8863 8.4200 9.6895 9.8228 10.4759 10.6325 11.6411 11.6431 11.9344 11.9628 k = 0.2801-0.4011-0.0000 ( 4118 PWs) bands (ev): -15.9575 -15.9573 -15.1171 -15.1083 -14.5233 -14.5220 -14.0173 -14.0154 -13.9080 -13.9062 -13.5236 -13.5183 -5.9195 -5.9185 -4.4694 -4.4691 -3.1362 -3.1313 -2.3968 -2.3882 -2.3705 -2.3054 -1.4662 -1.3513 -0.9766 -0.9600 0.0392 0.1340 0.1520 0.1944 1.0079 1.0453 1.0938 1.0973 1.8897 1.9324 2.0258 2.0373 2.5474 2.5537 2.5956 2.6030 2.8676 2.8683 3.0233 3.0345 3.4117 3.4140 3.4695 3.4783 7.8765 8.4266 9.6754 9.8149 10.4784 10.6604 11.6206 11.6218 11.9341 11.9521 k = 0.2724-0.3900-0.0000 ( 4118 PWs) bands (ev): -15.9791 -15.9789 -15.1128 -15.1039 -14.5111 -14.5098 -14.0115 -14.0098 -13.9078 -13.9060 -13.5181 -13.5129 -5.8927 -5.8916 -4.4906 -4.4901 -3.1477 -3.1423 -2.4108 -2.3787 -2.3740 -2.3324 -1.4813 -1.3681 -0.9826 -0.9664 0.0574 0.1345 0.1561 0.2129 1.0240 1.0627 1.1234 1.1270 1.9093 1.9501 2.0417 2.0529 2.5434 2.5501 2.5912 2.5990 2.8576 2.8587 3.0138 3.0254 3.4073 3.4085 3.4436 3.4534 7.8666 8.4317 9.6610 9.8065 10.4818 10.6896 11.6005 11.6011 11.9352 11.9415 k = 0.2646-0.3788-0.0000 ( 4120 PWs) bands (ev): -16.0006 -16.0004 -15.1086 -15.0996 -14.4996 -14.4982 -14.0057 -14.0042 -13.9071 -13.9053 -13.5124 -13.5073 -5.8656 -5.8644 -4.5109 -4.5103 -3.1597 -3.1538 -2.4345 -2.3726 -2.3685 -2.3570 -1.4948 -1.3834 -0.9860 -0.9703 0.0718 0.1329 0.1613 0.2306 1.0393 1.0791 1.1538 1.1579 1.9281 1.9662 2.0572 2.0678 2.5344 2.5405 2.5911 2.5982 2.8493 2.8508 3.0035 3.0151 3.4024 3.4031 3.4180 3.4297 7.8568 8.4352 9.6465 9.7977 10.4856 10.7193 11.5806 11.5808 11.9313 11.9379 k = 0.2568-0.3677-0.0000 ( 4118 PWs) bands (ev): -16.0217 -16.0216 -15.1046 -15.0954 -14.4888 -14.4874 -13.9998 -13.9984 -13.9059 -13.9041 -13.5067 -13.5017 -5.8382 -5.8370 -4.5302 -4.5296 -3.1723 -3.1659 -2.4587 -2.3861 -2.3634 -2.3629 -1.5067 -1.3971 -0.9867 -0.9714 0.0817 0.1296 0.1685 0.2472 1.0541 1.0949 1.1847 1.1891 1.9460 1.9806 2.0720 2.0821 2.5227 2.5279 2.5920 2.5984 2.8430 2.8448 2.9924 3.0036 3.3911 3.3918 3.4007 3.4111 7.8474 8.4373 9.6323 9.7888 10.4893 10.7488 11.5608 11.5610 11.9217 11.9421 k = 0.2490-0.3566-0.0000 ( 4112 PWs) bands (ev): -16.0427 -16.0425 -15.1006 -15.0914 -14.4786 -14.4772 -13.9938 -13.9925 -13.9042 -13.9025 -13.5008 -13.4959 -5.8106 -5.8093 -4.5486 -4.5479 -3.1853 -3.1786 -2.4822 -2.4096 -2.3601 -2.3600 -1.5168 -1.4090 -0.9844 -0.9697 0.0869 0.1251 0.1781 0.2626 1.0684 1.1102 1.2154 1.2202 1.9627 1.9931 2.0861 2.0954 2.5099 2.5143 2.5921 2.5978 2.8388 2.8410 2.9806 2.9912 3.3663 3.3720 3.3968 3.4022 7.8385 8.4380 9.6186 9.7801 10.4927 10.7773 11.5411 11.5414 11.9130 11.9480 k = 0.2412-0.3454-0.0000 ( 4114 PWs) bands (ev): -16.0633 -16.0632 -15.0968 -15.0875 -14.4693 -14.4678 -13.9877 -13.9866 -13.9020 -13.9003 -13.4948 -13.4900 -5.7828 -5.7815 -4.5661 -4.5652 -3.1989 -3.1919 -2.5047 -2.4326 -2.3589 -2.3588 -1.5251 -1.4192 -0.9793 -0.9650 0.0879 0.1194 0.1896 0.2765 1.0824 1.1252 1.2456 1.2506 1.9781 2.0033 2.0992 2.1078 2.4973 2.5005 2.5906 2.5956 2.8366 2.8392 2.9683 2.9778 3.3416 3.3489 3.3936 3.3975 7.8302 8.4376 9.6056 9.7718 10.4952 10.8042 11.5214 11.5219 11.9055 11.9555 k = 0.2335-0.3343-0.0000 ( 4112 PWs) bands (ev): -16.0836 -16.0835 -15.0931 -15.0838 -14.4606 -14.4592 -13.9815 -13.9806 -13.8992 -13.8975 -13.4888 -13.4841 -5.7551 -5.7537 -4.5825 -4.5815 -3.2129 -3.2056 -2.5261 -2.4549 -2.3598 -2.3597 -1.5316 -1.4275 -0.9711 -0.9573 0.0858 0.1127 0.2019 0.2889 1.0961 1.1399 1.2750 1.2801 1.9919 2.0111 2.1114 2.1192 2.4853 2.4870 2.5874 2.5917 2.8365 2.8393 2.9555 2.9638 3.3175 3.3256 3.3907 3.3937 7.8227 8.4362 9.5935 9.7640 10.4967 10.8286 11.5018 11.5023 11.8994 11.9645 k = 0.2257-0.3231-0.0000 ( 4104 PWs) bands (ev): -16.1036 -16.1035 -15.0895 -15.0803 -14.4528 -14.4513 -13.9753 -13.9746 -13.8959 -13.8942 -13.4827 -13.4781 -5.7273 -5.7259 -4.5978 -4.5967 -3.2274 -3.2198 -2.5465 -2.4762 -2.3630 -2.3629 -1.5361 -1.4339 -0.9598 -0.9466 0.0816 0.1053 0.2144 0.2999 1.1095 1.1543 1.3033 1.3083 2.0040 2.0163 2.1223 2.1293 2.4742 2.4745 2.5827 2.5861 2.8380 2.8412 2.9423 2.9492 3.2944 3.3028 3.3878 3.3904 7.8162 8.4338 9.5824 9.7569 10.4968 10.8500 11.4822 11.4826 11.8952 11.9748 k = 0.2179-0.3120-0.0000 ( 4102 PWs) bands (ev): -16.1232 -16.1230 -15.0861 -15.0769 -14.4457 -14.4442 -13.9691 -13.9685 -13.8921 -13.8904 -13.4765 -13.4721 -5.6997 -5.6982 -4.6120 -4.6108 -3.2422 -3.2344 -2.5659 -2.4967 -2.3684 -2.3682 -1.5387 -1.4384 -0.9455 -0.9329 0.0758 0.0973 0.2264 0.3094 1.1227 1.1683 1.3303 1.3351 2.0142 2.0186 2.1321 2.1382 2.4623 2.4653 2.5767 2.5790 2.8407 2.8443 2.9290 2.9342 3.2723 3.2809 3.3850 3.3873 7.8108 8.4306 9.5726 9.7506 10.4956 10.8676 11.4625 11.4629 11.8930 11.9864 k = 0.2101-0.3008-0.0000 ( 4102 PWs) bands (ev): -16.1423 -16.1422 -15.0829 -15.0737 -14.4394 -14.4378 -13.9628 -13.9624 -13.8877 -13.8861 -13.4703 -13.4661 -5.6723 -5.6708 -4.6251 -4.6238 -3.2573 -3.2494 -2.5844 -2.5164 -2.3759 -2.3757 -1.5393 -1.4410 -0.9283 -0.9162 0.0689 0.0887 0.2377 0.3173 1.1355 1.1819 1.3556 1.3602 2.0181 2.0220 2.1405 2.1458 2.4516 2.4579 2.5697 2.5707 2.8441 2.8484 2.9157 2.9190 3.2515 3.2600 3.3823 3.3842 7.8067 8.4268 9.5641 9.7453 10.4928 10.8811 11.4426 11.4429 11.8931 11.9989 k = 0.2023-0.2897-0.0000 ( 4104 PWs) bands (ev): -16.1610 -16.1609 -15.0798 -15.0708 -14.4338 -14.4322 -13.9566 -13.9563 -13.8829 -13.8814 -13.4642 -13.4601 -5.6452 -5.6437 -4.6369 -4.6355 -3.2726 -3.2647 -2.6019 -2.5353 -2.3856 -2.3853 -1.5380 -1.4417 -0.9083 -0.8968 0.0612 0.0798 0.2480 0.3237 1.1481 1.1950 1.3791 1.3834 2.0146 2.0274 2.1475 2.1521 2.4424 2.4525 2.5616 2.5620 2.8476 2.8529 2.9027 2.9037 3.2323 3.2405 3.3795 3.3812 7.8038 8.4225 9.5570 9.7410 10.4885 10.8901 11.4225 11.4228 11.8955 12.0122 k = 0.1945-0.2786-0.0000 ( 4098 PWs) bands (ev): -16.1793 -16.1792 -15.0769 -15.0680 -14.4289 -14.4273 -13.9503 -13.9501 -13.8776 -13.8761 -13.4580 -13.4541 -5.6185 -5.6170 -4.6475 -4.6460 -3.2880 -3.2802 -2.6185 -2.5535 -2.3971 -2.3968 -1.5348 -1.4405 -0.8856 -0.8747 0.0531 0.0706 0.2573 0.3287 1.1602 1.2075 1.4006 1.4046 2.0083 2.0300 2.1533 2.1571 2.4347 2.4490 2.5518 2.5539 2.8502 2.8575 2.8885 2.8909 3.2147 3.2226 3.3766 3.3780 7.8024 8.4178 9.5514 9.7379 10.4828 10.8944 11.4022 11.4026 11.9003 12.0261 k = 0.1868-0.2674-0.0000 ( 4096 PWs) bands (ev): -16.1970 -16.1969 -15.0741 -15.0654 -14.4247 -14.4231 -13.9441 -13.9440 -13.8719 -13.8705 -13.4519 -13.4481 -5.5924 -5.5908 -4.6568 -4.6552 -3.3036 -3.2957 -2.6343 -2.5709 -2.4104 -2.4100 -1.5297 -1.4376 -0.8604 -0.8502 0.0446 0.0612 0.2655 0.3323 1.1719 1.2193 1.4201 1.4235 1.9995 2.0299 2.1577 2.1608 2.4288 2.4472 2.5415 2.5456 2.8503 2.8612 2.8744 2.8816 3.1989 3.2063 3.3737 3.3748 7.8025 8.4127 9.5475 9.7361 10.4758 10.8940 11.3816 11.3821 11.9074 12.0401 k = 0.1790-0.2563-0.0000 ( 4092 PWs) bands (ev): -16.2142 -16.2141 -15.0715 -15.0630 -14.4211 -14.4196 -13.9380 -13.9379 -13.8659 -13.8646 -13.4458 -13.4423 -5.5670 -5.5653 -4.6647 -4.6631 -3.3190 -3.3113 -2.6493 -2.5878 -2.4253 -2.4249 -1.5229 -1.4330 -0.8330 -0.8234 0.0359 0.0519 0.2725 0.3345 1.1830 1.2303 1.4373 1.4402 1.9886 2.0271 2.1610 2.1633 2.4246 2.4470 2.5308 2.5371 2.8453 2.8556 2.8696 2.8774 3.1850 3.1918 3.3706 3.3715 7.8041 8.4074 9.5452 9.7356 10.4676 10.8889 11.3608 11.3614 11.9165 12.0542 k = 0.1712-0.2451-0.0000 ( 4090 PWs) bands (ev): -16.2309 -16.2308 -15.0691 -15.0607 -14.4182 -14.4166 -13.9320 -13.9318 -13.8596 -13.8583 -13.4398 -13.4364 -5.5423 -5.5407 -4.6712 -4.6695 -3.3344 -3.3269 -2.6636 -2.6040 -2.4416 -2.4411 -1.5144 -1.4267 -0.8037 -0.7947 0.0273 0.0427 0.2784 0.3355 1.1935 1.2403 1.4523 1.4545 1.9760 2.0216 2.1631 2.1649 2.4219 2.4479 2.5200 2.5285 2.8360 2.8421 2.8728 2.8774 3.1731 3.1792 3.3674 3.3680 7.8073 8.4018 9.5447 9.7364 10.4585 10.8795 11.3396 11.3404 11.9273 12.0681 k = 0.1634-0.2340-0.0000 ( 4092 PWs) bands (ev): -16.2470 -16.2469 -15.0669 -15.0587 -14.4158 -14.4142 -13.9260 -13.9258 -13.8530 -13.8518 -13.4339 -13.4307 -5.5186 -5.5169 -4.6763 -4.6745 -3.3496 -3.3423 -2.6772 -2.6196 -2.4592 -2.4586 -1.5042 -1.4190 -0.7726 -0.7642 0.0188 0.0336 0.2833 0.3354 1.2031 1.2490 1.4651 1.4666 1.9623 2.0138 2.1642 2.1655 2.4204 2.4494 2.5090 2.5199 2.8250 2.8284 2.8764 2.8793 3.1632 3.1685 3.3641 3.3644 7.8120 8.3961 9.5459 9.7387 10.4487 10.8661 11.3181 11.3190 11.9395 12.0815 k = 0.1556-0.2229-0.0000 ( 4096 PWs) bands (ev): -16.2625 -16.2624 -15.0648 -15.0568 -14.4139 -14.4124 -13.9202 -13.9198 -13.8463 -13.8451 -13.4282 -13.4251 -5.4959 -5.4942 -4.6799 -4.6780 -3.3646 -3.3575 -2.6901 -2.6346 -2.4778 -2.4771 -1.4927 -1.4099 -0.7402 -0.7324 0.0106 0.0250 0.2871 0.3342 1.2117 1.2562 1.4756 1.4764 1.9478 2.0039 2.1645 2.1655 2.4197 2.4509 2.4982 2.5112 2.8136 2.8152 2.8797 2.8818 3.1551 3.1596 3.3606 3.3606 7.8184 8.3903 9.5489 9.7425 10.4384 10.8491 11.2962 11.2974 11.9527 12.0943 k = 0.1479-0.2117-0.0000 ( 4096 PWs) bands (ev): -16.2774 -16.2773 -15.0628 -15.0551 -14.4124 -14.4109 -13.9145 -13.9140 -13.8394 -13.8383 -13.4225 -13.4197 -5.4743 -5.4726 -4.6819 -4.6801 -3.3792 -3.3724 -2.7024 -2.6491 -2.4972 -2.4964 -1.4797 -1.3995 -0.7067 -0.6996 0.0028 0.0167 0.2900 0.3321 1.2191 1.2616 1.4840 1.4842 1.9332 1.9925 2.1643 2.1650 2.4194 2.4516 2.4879 2.5025 2.8026 2.8028 2.8827 2.8844 3.1488 3.1526 3.3567 3.3570 7.8263 8.3843 9.5537 9.7478 10.4280 10.8290 11.2738 11.2752 11.9666 12.1063 k = 0.1401-0.2006-0.0000 ( 4096 PWs) bands (ev): -16.2916 -16.2916 -15.0610 -15.0536 -14.4114 -14.4099 -13.9089 -13.9084 -13.8325 -13.8314 -13.4171 -13.4144 -5.4540 -5.4523 -4.6825 -4.6806 -3.3934 -3.3869 -2.7140 -2.6631 -2.5172 -2.5164 -1.4656 -1.3881 -0.6724 -0.6660 -0.0044 0.0091 0.2921 0.3292 1.2251 1.2650 1.4901 1.4903 1.9189 1.9799 2.1635 2.1643 2.4187 2.4499 2.4794 2.4939 2.7915 2.7924 2.8854 2.8869 3.1439 3.1471 3.3526 3.3532 7.8358 8.3781 9.5603 9.7546 10.4177 10.8063 11.2510 11.2526 11.9809 12.1174 k = 0.1323-0.1894-0.0000 ( 4099 PWs) bands (ev): -16.3052 -16.3052 -15.0594 -15.0522 -14.4107 -14.4093 -13.9034 -13.9029 -13.8255 -13.8246 -13.4118 -13.4092 -5.4350 -5.4333 -4.6816 -4.6797 -3.4072 -3.4009 -2.7251 -2.6765 -2.5377 -2.5367 -1.4504 -1.3758 -0.6378 -0.6320 -0.0109 0.0022 0.2934 0.3258 1.2295 1.2662 1.4943 1.4947 1.9051 1.9666 2.1626 2.1634 2.4171 2.4441 2.4740 2.4858 2.7813 2.7831 2.8878 2.8894 3.1405 3.1430 3.3484 3.3493 7.8467 8.3716 9.5688 9.7629 10.4079 10.7815 11.2275 11.2295 11.9953 12.1276 k = 0.1245-0.1783-0.0000 ( 4099 PWs) bands (ev): -16.3181 -16.3181 -15.0578 -15.0510 -14.4103 -14.4089 -13.8981 -13.8976 -13.8187 -13.8178 -13.4067 -13.4043 -5.4174 -5.4158 -4.6792 -4.6773 -3.4204 -3.4145 -2.7355 -2.6894 -2.5584 -2.5573 -1.4343 -1.3628 -0.6031 -0.5981 -0.0166 -0.0039 0.2940 0.3218 1.2322 1.2649 1.4972 1.4975 1.8924 1.9532 2.1615 2.1626 2.4139 2.4343 2.4715 2.4783 2.7724 2.7750 2.8902 2.8918 3.1381 3.1402 3.3442 3.3453 7.8591 8.3649 9.5790 9.7725 10.3987 10.7550 11.2035 11.2058 12.0095 12.1367 k = 0.1167-0.1671-0.0000 ( 4097 PWs) bands (ev): -16.3304 -16.3303 -15.0564 -15.0500 -14.4102 -14.4089 -13.8931 -13.8925 -13.8119 -13.8111 -13.4018 -13.3996 -5.4012 -5.3997 -4.6755 -4.6736 -3.4330 -3.4275 -2.7454 -2.7018 -2.5791 -2.5780 -1.4176 -1.3493 -0.5689 -0.5645 -0.0212 -0.0089 0.2940 0.3174 1.2330 1.2611 1.4988 1.4990 1.8809 1.9399 2.1605 2.1619 2.4087 2.4224 2.4698 2.4716 2.7649 2.7682 2.8925 2.8943 3.1367 3.1383 3.3399 3.3413 7.8729 8.3579 9.5910 9.7835 10.3905 10.7274 11.1789 11.1814 12.0234 12.1448 k = 0.1089-0.1560-0.0000 ( 4095 PWs) bands (ev): -16.3419 -16.3419 -15.0551 -15.0490 -14.4102 -14.4090 -13.8882 -13.8876 -13.8053 -13.8046 -13.3971 -13.3951 -5.3865 -5.3850 -4.6705 -4.6687 -3.4451 -3.4398 -2.7547 -2.7136 -2.5996 -2.5984 -1.4004 -1.3354 -0.5355 -0.5318 -0.0247 -0.0127 0.2935 0.3128 1.2318 1.2548 1.4987 1.4997 1.8708 1.9272 2.1596 2.1614 2.4015 2.4094 2.4658 2.4680 2.7589 2.7627 2.8947 2.8967 3.1360 3.1373 3.3355 3.3371 7.8879 8.3504 9.6046 9.7957 10.3835 10.6991 11.1536 11.1564 12.0369 12.1518 k = 0.1012-0.1449-0.0000 ( 4091 PWs) bands (ev): -16.3527 -16.3527 -15.0540 -15.0482 -14.4105 -14.4093 -13.8836 -13.8830 -13.7990 -13.7983 -13.3927 -13.3908 -5.3733 -5.3719 -4.6644 -4.6626 -3.4564 -3.4515 -2.7634 -2.7250 -2.6198 -2.6185 -1.3828 -1.3214 -0.5034 -0.5004 -0.0268 -0.0152 0.2926 0.3082 1.2285 1.2463 1.4976 1.4995 1.8623 1.9154 2.1589 2.1613 2.3923 2.3958 2.4605 2.4654 2.7544 2.7586 2.8970 2.8990 3.1359 3.1369 3.3312 3.3330 7.9041 8.3424 9.6199 9.8088 10.3779 10.6705 11.1278 11.1307 12.0497 12.1577 k = 0.0934-0.1337-0.0000 ( 4091 PWs) bands (ev): -16.3627 -16.3627 -15.0529 -15.0476 -14.4109 -14.4098 -13.8792 -13.8786 -13.7929 -13.7923 -13.3885 -13.3868 -5.3615 -5.3602 -4.6574 -4.6557 -3.4670 -3.4625 -2.7716 -2.7358 -2.6393 -2.6380 -1.3652 -1.3075 -0.4730 -0.4707 -0.0273 -0.0163 0.2914 0.3035 1.2234 1.2358 1.4955 1.4985 1.8555 1.9048 2.1585 2.1614 2.3818 2.3821 2.4555 2.4619 2.7513 2.7558 2.8991 2.9014 3.1362 3.1370 3.3270 3.3288 7.9213 8.3338 9.6366 9.8226 10.3740 10.6420 11.1013 11.1044 12.0619 12.1626 k = 0.0856-0.1226-0.0000 ( 4095 PWs) bands (ev): -16.3720 -16.3720 -15.0520 -15.0470 -14.4114 -14.4103 -13.8751 -13.8745 -13.7872 -13.7866 -13.3846 -13.3831 -5.3511 -5.3499 -4.6497 -4.6481 -3.4769 -3.4728 -2.7791 -2.7462 -2.6580 -2.6567 -1.3476 -1.2939 -0.4448 -0.4431 -0.0262 -0.0157 0.2900 0.2990 1.2164 1.2238 1.4925 1.4965 1.8504 1.8955 2.1585 2.1617 2.3685 2.3702 2.4504 2.4575 2.7495 2.7542 2.9012 2.9036 3.1368 3.1375 3.3228 3.3247 7.9395 8.3245 9.6547 9.8367 10.3717 10.6141 11.0745 11.0777 12.0735 12.1665 k = 0.0778-0.1114-0.0000 ( 4097 PWs) bands (ev): -16.3806 -16.3806 -15.0511 -15.0465 -14.4119 -14.4109 -13.8713 -13.8708 -13.7818 -13.7812 -13.3810 -13.3796 -5.3420 -5.3409 -4.6415 -4.6400 -3.4860 -3.4822 -2.7861 -2.7561 -2.6756 -2.6745 -1.3304 -1.2809 -0.4192 -0.4180 -0.0234 -0.0135 0.2884 0.2948 1.2079 1.2108 1.4889 1.4938 1.8470 1.8877 2.1587 2.1624 2.3552 2.3582 2.4451 2.4524 2.7489 2.7536 2.9032 2.9056 3.1376 3.1382 3.3188 3.3208 7.9585 8.3145 9.6739 9.8509 10.3713 10.5873 11.0474 11.0506 12.0843 12.1694 k = 0.0700-0.1003-0.0000 ( 4089 PWs) bands (ev): -16.3883 -16.3883 -15.0503 -15.0462 -14.4125 -14.4116 -13.8678 -13.8673 -13.7768 -13.7763 -13.3777 -13.3765 -5.3342 -5.3331 -4.6330 -4.6316 -3.4943 -3.4909 -2.7926 -2.7654 -2.6921 -2.6910 -1.3138 -1.2685 -0.3964 -0.3957 -0.0189 -0.0097 0.2868 0.2909 1.1973 1.1981 1.4848 1.4903 1.8452 1.8813 2.1593 2.1633 2.3423 2.3461 2.4397 2.4468 2.7492 2.7538 2.9051 2.9075 3.1385 3.1390 3.3150 3.3169 7.9783 8.3036 9.6942 9.8645 10.3727 10.5620 11.0204 11.0234 12.0944 12.1714 k = 0.0623-0.0891-0.0000 ( 4089 PWs) bands (ev): -16.3953 -16.3953 -15.0496 -15.0459 -14.4131 -14.4123 -13.8646 -13.8641 -13.7722 -13.7718 -13.3747 -13.3736 -5.3275 -5.3265 -4.6245 -4.6233 -3.5018 -3.4987 -2.7985 -2.7744 -2.7070 -2.7062 -1.2979 -1.2571 -0.3767 -0.3763 -0.0129 -0.0046 0.2851 0.2875 1.1837 1.1876 1.4803 1.4862 1.8447 1.8763 2.1602 2.1644 2.3301 2.3342 2.4342 2.4408 2.7503 2.7547 2.9069 2.9092 3.1395 3.1400 3.3115 3.3133 7.9985 8.2918 9.7152 9.8770 10.3759 10.5386 10.9936 10.9965 12.1038 12.1726 k = 0.0545-0.0780-0.0000 ( 4087 PWs) bands (ev): -16.4015 -16.4015 -15.0489 -15.0457 -14.4136 -14.4129 -13.8618 -13.8613 -13.7681 -13.7677 -13.3720 -13.3711 -5.3218 -5.3209 -4.6163 -4.6152 -3.5084 -3.5057 -2.8038 -2.7828 -2.7203 -2.7198 -1.2829 -1.2469 -0.3600 -0.3599 -0.0056 0.0018 0.2835 0.2845 1.1706 1.1766 1.4758 1.4817 1.8454 1.8726 2.1614 2.1656 2.3187 2.3227 2.4287 2.4347 2.7519 2.7559 2.9084 2.9106 3.1405 3.1409 3.3082 3.3100 8.0192 8.2791 9.7368 9.8877 10.3808 10.5175 10.9676 10.9703 12.1125 12.1729 k = 0.0467-0.0669-0.0000 ( 4085 PWs) bands (ev): -16.4068 -16.4068 -15.0483 -15.0455 -14.4141 -14.4135 -13.8593 -13.8589 -13.7645 -13.7642 -13.3697 -13.3689 -5.3171 -5.3163 -4.6086 -4.6077 -3.5141 -3.5118 -2.8085 -2.7907 -2.7319 -2.7317 -1.2692 -1.2379 -0.3464 -0.3464 0.0024 0.0087 0.2820 0.2820 1.1585 1.1657 1.4713 1.4769 1.8470 1.8698 2.1628 2.1669 2.3084 2.3120 2.4235 2.4288 2.7537 2.7573 2.9098 2.9118 3.1415 3.1418 3.3053 3.3069 8.0401 8.2654 9.7586 9.8961 10.3872 10.4990 10.9429 10.9452 12.1206 12.1725 k = 0.0389-0.0557-0.0000 ( 4083 PWs) bands (ev): -16.4114 -16.4114 -15.0478 -15.0455 -14.4146 -14.4141 -13.8571 -13.8568 -13.7614 -13.7611 -13.3677 -13.3670 -5.3132 -5.3126 -4.6017 -4.6008 -3.5189 -3.5170 -2.8126 -2.7980 -2.7417 -2.7417 -1.2567 -1.2305 -0.3357 -0.3356 0.0106 0.0159 0.2800 0.2807 1.1477 1.1552 1.4671 1.4722 1.8491 1.8678 2.1643 2.1682 2.2992 2.3023 2.4188 2.4232 2.7557 2.7588 2.9110 2.9128 3.1424 3.1427 3.3028 3.3042 8.0612 8.2507 9.7804 9.9015 10.3946 10.4832 10.9200 10.9219 12.1281 12.1714 k = 0.0311-0.0446-0.0000 ( 4089 PWs) bands (ev): -16.4151 -16.4151 -15.0474 -15.0455 -14.4150 -14.4146 -13.8553 -13.8551 -13.7588 -13.7586 -13.3660 -13.3655 -5.3102 -5.3097 -4.5956 -4.5950 -3.5229 -3.5214 -2.8159 -2.8045 -2.7499 -2.7496 -1.2458 -1.2247 -0.3274 -0.3272 0.0185 0.0226 0.2786 0.2795 1.1386 1.1457 1.4634 1.4678 1.8516 1.8664 2.1660 2.1694 2.2913 2.2938 2.4147 2.4183 2.7576 2.7602 2.9121 2.9135 3.1432 3.1434 3.3007 3.3018 8.0823 8.2351 9.8018 9.9035 10.4029 10.4702 10.8996 10.9012 12.1349 12.1697 k = 0.0233-0.0334-0.0000 ( 4083 PWs) bands (ev): -16.4180 -16.4180 -15.0469 -15.0455 -14.4153 -14.4150 -13.8539 -13.8537 -13.7568 -13.7566 -13.3647 -13.3643 -5.3079 -5.3075 -4.5907 -4.5902 -3.5259 -3.5248 -2.8185 -2.8100 -2.7561 -2.7558 -1.2366 -1.2206 -0.3212 -0.3211 0.0253 0.0284 0.2776 0.2785 1.1315 1.1375 1.4605 1.4640 1.8542 1.8651 2.1675 2.1704 2.2850 2.2869 2.4114 2.4142 2.7593 2.7613 2.9129 2.9140 3.1438 3.1440 3.2991 3.3000 8.1032 8.2185 9.8223 9.9017 10.4114 10.4596 10.8827 10.8838 12.1412 12.1673 k = 0.0156-0.0223-0.0000 ( 4087 PWs) bands (ev): -16.4201 -16.4201 -15.0466 -15.0456 -14.4155 -14.4153 -13.8529 -13.8528 -13.7553 -13.7552 -13.3638 -13.3635 -5.3062 -5.3060 -4.5871 -4.5868 -3.5280 -3.5273 -2.8200 -2.8145 -2.7605 -2.7601 -1.2291 -1.2184 -0.3171 -0.3170 0.0308 0.0328 0.2770 0.2777 1.1267 1.1309 1.4585 1.4609 1.8567 1.8639 2.1690 2.1710 2.2804 2.2817 2.4091 2.4109 2.7607 2.7620 2.9136 2.9143 3.1443 3.1444 3.2979 3.2985 8.1238 8.2010 9.8416 9.8961 10.4199 10.4508 10.8698 10.8706 12.1469 12.1643 k = 0.0078-0.0111-0.0000 ( 4085 PWs) bands (ev): -16.4214 -16.4214 -15.0463 -15.0458 -14.4156 -14.4155 -13.8523 -13.8522 -13.7544 -13.7544 -13.3631 -13.3630 -5.3052 -5.3051 -4.5848 -4.5847 -3.5292 -3.5289 -2.8205 -2.8178 -2.7630 -2.7628 -1.2235 -1.2182 -0.3146 -0.3146 0.0344 0.0354 0.2767 0.2771 1.1242 1.1264 1.4574 1.4587 1.8590 1.8626 2.1701 2.1712 2.2777 2.2783 2.4079 2.4088 2.7617 2.7624 2.9140 2.9144 3.1446 3.1447 3.2973 3.2976 8.1440 8.1828 9.8592 9.8869 10.4280 10.4430 10.8619 10.8623 12.1521 12.1608 k = 0.0000 0.0000 0.0000 ( 4083 PWs) bands (ev): -16.4218 -16.4218 -15.0460 -15.0460 -14.4156 -14.4156 -13.8521 -13.8521 -13.7541 -13.7541 -13.3629 -13.3629 -5.3049 -5.3049 -4.5840 -4.5840 -3.5295 -3.5295 -2.8198 -2.8198 -2.7638 -2.7638 -1.2199 -1.2199 -0.3138 -0.3138 0.0359 0.0359 0.2768 0.2768 1.1241 1.1241 1.4575 1.4575 1.8609 1.8609 2.1709 2.1709 2.2770 2.2770 2.4078 2.4078 2.7623 2.7623 2.9143 2.9143 3.1447 3.1447 3.2972 3.2972 8.1637 8.1637 9.8744 9.8744 10.4356 10.4356 10.8593 10.8593 12.1567 12.1567 k = 0.0000 0.0000 0.0000 ( 4083 PWs) bands (ev): -16.4218 -16.4218 -15.0460 -15.0460 -14.4156 -14.4156 -13.8521 -13.8521 -13.7541 -13.7541 -13.3629 -13.3629 -5.3049 -5.3049 -4.5840 -4.5840 -3.5295 -3.5295 -2.8198 -2.8198 -2.7638 -2.7638 -1.2199 -1.2199 -0.3138 -0.3138 0.0359 0.0359 0.2768 0.2768 1.1241 1.1241 1.4575 1.4575 1.8609 1.8609 2.1709 2.1709 2.2770 2.2770 2.4078 2.4078 2.7623 2.7623 2.9143 2.9143 3.1447 3.1447 3.2972 3.2972 8.1637 8.1637 9.8744 9.8744 10.4356 10.4356 10.8593 10.8593 12.1567 12.1567 k = 0.0128-0.0047-0.0022 ( 4084 PWs) bands (ev): -16.4213 -16.4212 -15.0463 -15.0458 -14.4157 -14.4153 -13.8525 -13.8524 -13.7545 -13.7540 -13.3635 -13.3629 -5.3051 -5.3048 -4.5855 -4.5853 -3.5290 -3.5285 -2.8225 -2.8148 -2.7656 -2.7598 -1.2247 -1.2166 -0.3156 -0.3142 0.0253 0.0442 0.2730 0.2813 1.1203 1.1295 1.4483 1.4676 1.8552 1.8597 2.1692 2.1774 2.2776 2.2796 2.4079 2.4088 2.7616 2.7623 2.9142 2.9147 3.1445 3.1447 3.2971 3.2974 8.1457 8.1811 9.8598 9.8867 10.4254 10.4449 10.8532 10.8711 12.1502 12.1634 k = 0.0256-0.0094-0.0043 ( 4086 PWs) bands (ev): -16.4199 -16.4197 -15.0465 -15.0455 -14.4157 -14.4148 -13.8538 -13.8536 -13.7552 -13.7543 -13.3647 -13.3634 -5.3056 -5.3049 -4.5898 -4.5894 -3.5271 -3.5261 -2.8230 -2.8079 -2.7651 -2.7537 -1.2311 -1.2151 -0.3197 -0.3166 0.0130 0.0498 0.2704 0.2863 1.1182 1.1362 1.4402 1.4783 1.8433 1.8516 2.1729 2.1874 2.2810 2.2858 2.4092 2.4111 2.7602 2.7616 2.9145 2.9155 3.1439 3.1443 3.2971 3.2977 8.1272 8.1978 9.8429 9.8966 10.4150 10.4530 10.8532 10.8876 12.1439 12.1700 k = 0.0385-0.0141-0.0065 ( 4088 PWs) bands (ev): -16.4175 -16.4173 -15.0468 -15.0453 -14.4155 -14.4142 -13.8558 -13.8556 -13.7562 -13.7548 -13.3664 -13.3646 -5.3063 -5.3053 -4.5967 -4.5960 -3.5237 -3.5222 -2.8218 -2.8004 -2.7610 -2.7451 -1.2391 -1.2151 -0.3262 -0.3210 -0.0002 0.0523 0.2690 0.2913 1.1176 1.1435 1.4340 1.4894 1.8267 1.8379 2.1809 2.1989 2.2868 2.2958 2.4118 2.4149 2.7581 2.7603 2.9152 2.9166 3.1431 3.1436 3.2973 3.2982 8.1081 8.2138 9.8238 9.9042 10.4052 10.4597 10.8598 10.9078 12.1378 12.1766 k = 0.0513-0.0188-0.0087 ( 4092 PWs) bands (ev): -16.4142 -16.4138 -15.0471 -15.0450 -14.4152 -14.4135 -13.8586 -13.8583 -13.7574 -13.7556 -13.3687 -13.3663 -5.3074 -5.3060 -4.6060 -4.6050 -3.5189 -3.5168 -2.8194 -2.7943 -2.7518 -2.7335 -1.2485 -1.2168 -0.3351 -0.3273 -0.0135 0.0518 0.2692 0.2963 1.1180 1.1503 1.4301 1.5005 1.8065 1.8204 2.1920 2.2103 2.2948 2.3094 2.4160 2.4208 2.7555 2.7583 2.9162 2.9181 3.1418 3.1424 3.2976 3.2988 8.0887 8.2290 9.8027 9.9094 10.3963 10.4655 10.8724 10.9310 12.1319 12.1829 k = 0.0641-0.0235-0.0108 ( 4087 PWs) bands (ev): -16.4099 -16.4095 -15.0473 -15.0448 -14.4147 -14.4126 -13.8623 -13.8619 -13.7588 -13.7567 -13.3716 -13.3685 -5.3089 -5.3072 -4.6174 -4.6160 -3.5125 -3.5098 -2.8164 -2.7903 -2.7371 -2.7186 -1.2592 -1.2200 -0.3465 -0.3354 -0.0264 0.0487 0.2706 0.3010 1.1188 1.1555 1.4292 1.5113 1.7841 1.8009 2.2044 2.2213 2.3043 2.3253 2.4221 2.4293 2.7524 2.7558 2.9176 2.9199 3.1401 3.1409 3.2982 3.2997 8.0690 8.2435 9.7797 9.9126 10.3890 10.4711 10.8904 10.9562 12.1263 12.1889 k = 0.0769-0.0282-0.0130 ( 4085 PWs) bands (ev): -16.4047 -16.4041 -15.0476 -15.0446 -14.4142 -14.4117 -13.8668 -13.8664 -13.7603 -13.7579 -13.3749 -13.3713 -5.3110 -5.3089 -4.6306 -4.6287 -3.5048 -3.5013 -2.8132 -2.7879 -2.7178 -2.7005 -1.2710 -1.2246 -0.3603 -0.3451 -0.0384 0.0436 0.2731 0.3054 1.1193 1.1580 1.4318 1.5216 1.7607 1.7810 2.2168 2.2318 2.3147 2.3415 2.4307 2.4415 2.7491 2.7529 2.9194 2.9221 3.1380 3.1389 3.2991 3.3009 8.0491 8.2572 9.7552 9.9137 10.3834 10.4774 10.9129 10.9828 12.1209 12.1943 k = 0.0897-0.0329-0.0152 ( 4083 PWs) bands (ev): -16.3985 -16.3979 -15.0479 -15.0444 -14.4137 -14.4107 -13.8721 -13.8716 -13.7619 -13.7592 -13.3788 -13.3745 -5.3139 -5.3114 -4.6450 -4.6425 -3.4955 -3.4913 -2.8101 -2.7861 -2.6953 -2.6792 -1.2838 -1.2306 -0.3761 -0.3564 -0.0490 0.0372 0.2763 0.3094 1.1186 1.1569 1.4378 1.5308 1.7373 1.7620 2.2282 2.2425 2.3253 2.3562 2.4423 2.4578 2.7457 2.7498 2.9215 2.9247 3.1354 3.1363 3.3003 3.3024 8.0292 8.2701 9.7294 9.9129 10.3798 10.4853 10.9388 11.0104 12.1155 12.1991 k = 0.1026-0.0376-0.0173 ( 4084 PWs) bands (ev): -16.3914 -16.3907 -15.0483 -15.0443 -14.4131 -14.4098 -13.8782 -13.8775 -13.7635 -13.7607 -13.3831 -13.3783 -5.3178 -5.3149 -4.6603 -4.6572 -3.4849 -3.4797 -2.8071 -2.7847 -2.6706 -2.6551 -1.2973 -1.2376 -0.3937 -0.3691 -0.0581 0.0299 0.2800 0.3130 1.1157 1.1522 1.4465 1.5384 1.7154 1.7450 2.2385 2.2534 2.3353 2.3684 2.4568 2.4779 2.7428 2.7469 2.9240 2.9277 3.1323 3.1334 3.3019 3.3042 8.0095 8.2823 9.7027 9.9105 10.3781 10.4952 10.9673 11.0384 12.1102 12.2032 k = 0.1154-0.0423-0.0195 ( 4088 PWs) bands (ev): -16.3835 -16.3827 -15.0486 -15.0442 -14.4126 -14.4089 -13.8851 -13.8842 -13.7651 -13.7621 -13.3878 -13.3825 -5.3228 -5.3195 -4.6759 -4.6721 -3.4728 -3.4666 -2.8042 -2.7832 -2.6443 -2.6289 -1.3113 -1.2454 -0.4126 -0.3829 -0.0658 0.0224 0.2837 0.3161 1.1098 1.1444 1.4564 1.5440 1.6961 1.7308 2.2478 2.2642 2.3442 2.3783 2.4740 2.5003 2.7409 2.7448 2.9268 2.9311 3.1287 3.1300 3.3040 3.3065 7.9901 8.2937 9.6755 9.9068 10.3785 10.5075 10.9977 11.0667 12.1048 12.2064 k = 0.1282-0.0470-0.0217 ( 4093 PWs) bands (ev): -16.3747 -16.3738 -15.0490 -15.0442 -14.4122 -14.4082 -13.8927 -13.8915 -13.7667 -13.7636 -13.3929 -13.3872 -5.3291 -5.3254 -4.6915 -4.6870 -3.4593 -3.4520 -2.8013 -2.7817 -2.6170 -2.6012 -1.3252 -1.2539 -0.4323 -0.3977 -0.0720 0.0151 0.2873 0.3188 1.0999 1.1344 1.4651 1.5476 1.6801 1.7204 2.2564 2.2747 2.3520 2.3863 2.4926 2.5230 2.7407 2.7446 2.9299 2.9348 3.1249 3.1265 3.3064 3.3092 7.9711 8.3043 9.6481 9.9020 10.3809 10.5223 11.0293 11.0949 12.0993 12.2087 k = 0.1410-0.0517-0.0238 ( 4094 PWs) bands (ev): -16.3650 -16.3641 -15.0495 -15.0442 -14.4120 -14.4077 -13.9009 -13.8993 -13.7682 -13.7650 -13.3985 -13.3922 -5.3370 -5.3328 -4.7066 -4.7013 -3.4446 -3.4360 -2.7984 -2.7799 -2.5891 -2.5726 -1.3389 -1.2625 -0.4524 -0.4132 -0.0769 0.0082 0.2905 0.3211 1.0854 1.1229 1.4703 1.5499 1.6684 1.7142 2.2646 2.2846 2.3588 2.3931 2.5113 2.5433 2.7427 2.7486 2.9332 2.9389 3.1210 3.1229 3.3093 3.3122 7.9529 8.3142 9.6208 9.8963 10.3852 10.5394 11.0616 11.1231 12.0935 12.2102 k = 0.1538-0.0564-0.0260 ( 4098 PWs) bands (ev): -16.3546 -16.3536 -15.0501 -15.0444 -14.4121 -14.4074 -13.9095 -13.9076 -13.7697 -13.7664 -13.4043 -13.3976 -5.3465 -5.3418 -4.7207 -4.7148 -3.4286 -3.4187 -2.7955 -2.7779 -2.5612 -2.5439 -1.3518 -1.2709 -0.4724 -0.4291 -0.0807 0.0018 0.2931 0.3230 1.0671 1.1098 1.4706 1.5511 1.6614 1.7119 2.2725 2.2940 2.3648 2.3990 2.5279 2.5587 2.7481 2.7586 2.9367 2.9435 3.1171 3.1195 3.3126 3.3157 7.9355 8.3232 9.5940 9.8900 10.3915 10.5586 11.0943 11.1511 12.0873 12.2108 k = 0.1667-0.0611-0.0282 ( 4091 PWs) bands (ev): -16.3433 -16.3423 -15.0507 -15.0446 -14.4126 -14.4076 -13.9185 -13.9163 -13.7710 -13.7678 -13.4105 -13.4034 -5.3576 -5.3526 -4.7337 -4.7271 -3.4115 -3.4002 -2.7923 -2.7756 -2.5336 -2.5156 -1.3634 -1.2786 -0.4921 -0.4453 -0.0836 -0.0039 0.2950 0.3244 1.0456 1.0947 1.4664 1.5504 1.6596 1.7124 2.2801 2.3027 2.3700 2.4042 2.5408 2.5677 2.7584 2.7754 2.9404 2.9484 3.1136 3.1168 3.3163 3.3195 7.9191 8.3315 9.5679 9.8832 10.3995 10.5797 11.1270 11.1790 12.0808 12.2105 k = 0.1795-0.0658-0.0303 ( 4093 PWs) bands (ev): -16.3314 -16.3303 -15.0514 -15.0450 -14.4134 -14.4082 -13.9276 -13.9251 -13.7723 -13.7690 -13.4169 -13.4094 -5.3706 -5.3651 -4.7453 -4.7380 -3.3934 -3.3807 -2.7890 -2.7729 -2.5071 -2.4883 -1.3733 -1.2853 -0.5110 -0.4614 -0.0858 -0.0089 0.2960 0.3255 1.0219 1.0772 1.4594 1.5470 1.6625 1.7144 2.2875 2.3110 2.3744 2.4086 2.5485 2.5702 2.7746 2.7982 2.9442 2.9538 3.1108 3.1151 3.3204 3.3237 7.9040 8.3389 9.5427 9.8761 10.4091 10.6023 11.1596 11.2067 12.0738 12.2094 k = 0.1923-0.0705-0.0325 ( 4087 PWs) bands (ev): -16.3187 -16.3176 -15.0523 -15.0455 -14.4148 -14.4094 -13.9368 -13.9339 -13.7735 -13.7702 -13.4236 -13.4157 -5.3852 -5.3793 -4.7553 -4.7475 -3.3746 -3.3604 -2.7853 -2.7698 -2.4819 -2.4625 -1.3809 -1.2902 -0.5291 -0.4774 -0.0874 -0.0133 0.2960 0.3263 0.9966 1.0574 1.4513 1.5410 1.6683 1.7169 2.2948 2.3188 2.3780 2.4120 2.5510 2.5673 2.7965 2.8249 2.9482 2.9601 3.1089 3.1151 3.3249 3.3283 7.8902 8.3455 9.5187 9.8688 10.4201 10.6260 11.1919 11.2342 12.0665 12.2075 k = 0.2051-0.0752-0.0347 ( 4091 PWs) bands (ev): -16.3054 -16.3042 -15.0533 -15.0461 -14.4168 -14.4112 -13.9458 -13.9426 -13.7746 -13.7713 -13.4304 -13.4223 -5.4015 -5.3952 -4.7637 -4.7554 -3.3551 -3.3394 -2.7813 -2.7663 -2.4587 -2.4387 -1.3858 -1.2930 -0.5461 -0.4931 -0.0887 -0.0171 0.2950 0.3267 0.9703 1.0355 1.4433 1.5332 1.6750 1.7189 2.3020 2.3261 2.3804 2.4141 2.5488 2.5611 2.8226 2.8529 2.9525 2.9677 3.1085 3.1175 3.3298 3.3333 7.8778 8.3512 9.4959 9.8614 10.4322 10.6505 11.2237 11.2616 12.0586 12.2048 k = 0.2179-0.0799-0.0369 ( 4091 PWs) bands (ev): -16.2916 -16.2903 -15.0544 -15.0470 -14.4195 -14.4137 -13.9545 -13.9511 -13.7757 -13.7723 -13.4375 -13.4291 -5.4192 -5.4125 -4.7704 -4.7617 -3.3352 -3.3180 -2.7768 -2.7623 -2.4377 -2.4171 -1.3874 -1.2933 -0.5619 -0.5083 -0.0897 -0.0203 0.2928 0.3269 0.9435 1.0118 1.4358 1.5243 1.6809 1.7201 2.3093 2.3330 2.3816 2.4148 2.5431 2.5533 2.8506 2.8791 2.9577 2.9774 3.1100 3.1231 3.3352 3.3388 7.8672 8.3559 9.4747 9.8538 10.4454 10.6754 11.2548 11.2889 12.0504 12.2013 k = 0.2308-0.0846-0.0390 ( 4093 PWs) bands (ev): -16.2772 -16.2758 -15.0557 -15.0480 -14.4229 -14.4170 -13.9628 -13.9592 -13.7767 -13.7733 -13.4446 -13.4360 -5.4381 -5.4311 -4.7756 -4.7666 -3.3152 -3.2966 -2.7718 -2.7578 -2.4192 -2.3981 -1.3855 -1.2906 -0.5766 -0.5230 -0.0907 -0.0231 0.2897 0.3266 0.9164 0.9867 1.4293 1.5150 1.6845 1.7200 2.3166 2.3391 2.3813 2.4136 2.5348 2.5454 2.8776 2.9012 2.9647 2.9897 3.1138 3.1331 3.3412 3.3449 7.8582 8.3595 9.4551 9.8459 10.4593 10.7003 11.2853 11.3160 12.0419 12.1971 k = 0.2436-0.0893-0.0412 ( 4092 PWs) bands (ev): -16.2623 -16.2609 -15.0573 -15.0493 -14.4271 -14.4211 -13.9705 -13.9667 -13.7776 -13.7742 -13.4519 -13.4431 -5.4580 -5.4507 -4.7794 -4.7702 -3.2953 -3.2754 -2.7661 -2.7526 -2.4033 -2.3816 -1.3797 -1.2848 -0.5900 -0.5371 -0.0917 -0.0254 0.2855 0.3261 0.8894 0.9606 1.4235 1.5056 1.6848 1.7185 2.3239 2.3437 2.3797 2.4106 2.5254 2.5383 2.8994 2.9180 2.9756 3.0042 3.1209 3.1484 3.3477 3.3519 7.8512 8.3621 9.4373 9.8379 10.4738 10.7248 11.3150 11.3430 12.0332 12.1922 k = 0.2564-0.0940-0.0434 ( 4094 PWs) bands (ev): -16.2470 -16.2457 -15.0590 -15.0509 -14.4320 -14.4260 -13.9774 -13.9735 -13.7784 -13.7750 -13.4592 -13.4502 -5.4786 -5.4712 -4.7818 -4.7725 -3.2759 -3.2547 -2.7599 -2.7468 -2.3901 -2.3678 -1.3700 -1.2757 -0.6022 -0.5507 -0.0928 -0.0275 0.2805 0.3251 0.8628 0.9340 1.4186 1.4963 1.6813 1.7158 2.3312 2.3454 2.3775 2.4063 2.5163 2.5322 2.9137 2.9293 2.9919 3.0188 3.1320 3.1691 3.3550 3.3601 7.8460 8.3633 9.4214 9.8296 10.4886 10.7485 11.3439 11.3697 12.0243 12.1864 k = 0.2692-0.0987-0.0455 ( 4095 PWs) bands (ev): -16.2315 -16.2300 -15.0609 -15.0527 -14.4378 -14.4318 -13.9835 -13.9795 -13.7792 -13.7758 -13.4666 -13.4575 -5.4996 -5.4921 -4.7832 -4.7738 -3.2571 -3.2350 -2.7529 -2.7404 -2.3793 -2.3563 -1.3564 -1.2635 -0.6132 -0.5636 -0.0941 -0.0294 0.2746 0.3236 0.8368 0.9072 1.4141 1.4871 1.6740 1.7114 2.3379 2.3427 2.3749 2.4025 2.5084 2.5271 2.9220 2.9358 3.0109 3.0320 3.1481 3.1941 3.3633 3.3700 7.8428 8.3633 9.4075 9.8208 10.5037 10.7710 11.3718 11.3961 12.0154 12.1799 k = 0.2821-0.1034-0.0477 ( 4095 PWs) bands (ev): -16.2156 -16.2142 -15.0631 -15.0547 -14.4444 -14.4383 -13.9888 -13.9848 -13.7799 -13.7765 -13.4739 -13.4647 -5.5209 -5.5132 -4.7836 -4.7743 -3.2394 -3.2165 -2.7453 -2.7333 -2.3706 -2.3469 -1.3391 -1.2482 -0.6231 -0.5759 -0.0956 -0.0311 0.2682 0.3217 0.8116 0.8805 1.4100 1.4782 1.6631 1.7052 2.3344 2.3442 2.3706 2.4022 2.5019 2.5230 2.9269 2.9393 3.0286 3.0435 3.1694 3.2214 3.3729 3.3825 7.8416 8.3618 9.3957 9.8116 10.5189 10.7919 11.3987 11.4220 12.0066 12.1726 k = 0.2949-0.1081-0.0499 ( 4105 PWs) bands (ev): -16.1997 -16.1983 -15.0655 -15.0571 -14.4516 -14.4456 -13.9932 -13.9892 -13.7806 -13.7771 -13.4811 -13.4720 -5.5421 -5.5344 -4.7832 -4.7741 -3.2230 -3.1995 -2.7370 -2.7257 -2.3635 -2.3392 -1.3184 -1.2303 -0.6319 -0.5877 -0.0972 -0.0328 0.2612 0.3194 0.7874 0.8543 1.4059 1.4694 1.6492 1.6970 2.3235 2.3442 2.3678 2.4059 2.4969 2.5198 2.9300 2.9412 3.0429 3.0534 3.1947 3.2482 3.3843 3.3983 7.8424 8.3587 9.3862 9.8019 10.5340 10.8110 11.4246 11.4474 11.9980 12.1645 k = 0.3077-0.1128-0.0520 ( 4102 PWs) bands (ev): -16.1837 -16.1823 -15.0681 -15.0597 -14.4594 -14.4535 -13.9967 -13.9927 -13.7812 -13.7777 -13.4883 -13.4792 -5.5629 -5.5553 -4.7822 -4.7732 -3.2080 -3.1844 -2.7283 -2.7176 -2.3576 -2.3328 -1.2948 -1.2101 -0.6397 -0.5989 -0.0990 -0.0345 0.2538 0.3164 0.7643 0.8289 1.4015 1.4609 1.6327 1.6869 2.3107 2.3355 2.3713 2.4118 2.4931 2.5173 2.9319 2.9423 3.0541 3.0622 3.2218 3.2724 3.3982 3.4183 7.8452 8.3539 9.3790 9.7915 10.5491 10.8278 11.4495 11.4720 11.9897 12.1557 k = 0.3205-0.1175-0.0542 ( 4106 PWs) bands (ev): -16.1678 -16.1663 -15.0710 -15.0627 -14.4677 -14.4619 -13.9993 -13.9954 -13.7817 -13.7783 -13.4952 -13.4863 -5.5833 -5.5758 -4.7807 -4.7720 -3.1947 -3.1711 -2.7192 -2.7092 -2.3523 -2.3270 -1.2688 -1.1882 -0.6466 -0.6096 -0.1009 -0.0361 0.2461 0.3130 0.7426 0.8044 1.3964 1.4524 1.6143 1.6750 2.2969 2.3224 2.3778 2.4187 2.4902 2.5153 2.9331 2.9429 3.0629 3.0700 3.2481 3.2926 3.4154 3.4426 7.8500 8.3473 9.3742 9.7804 10.5640 10.8422 11.4732 11.4959 11.9818 12.1461 k = 0.3333-0.1222-0.0564 ( 4105 PWs) bands (ev): -16.1520 -16.1506 -15.0741 -15.0659 -14.4762 -14.4706 -14.0011 -13.9974 -13.7822 -13.7788 -13.5020 -13.4933 -5.6030 -5.5957 -4.7788 -4.7704 -3.1831 -3.1599 -2.7100 -2.7007 -2.3470 -2.3216 -1.2408 -1.1649 -0.6528 -0.6199 -0.1027 -0.0378 0.2383 0.3089 0.7222 0.7810 1.3903 1.4437 1.5949 1.6616 2.2828 2.3081 2.3851 2.4258 2.4880 2.5137 2.9341 2.9432 3.0702 3.0768 3.2718 3.3088 3.4364 3.4705 7.8569 8.3389 9.3719 9.7684 10.5787 10.8538 11.4957 11.5189 11.9743 12.1358 k = 0.3462-0.1269-0.0585 ( 4104 PWs) bands (ev): -16.1366 -16.1352 -15.0774 -15.0694 -14.4850 -14.4795 -14.0022 -13.9987 -13.7826 -13.7792 -13.5086 -13.5000 -5.6217 -5.6147 -4.7767 -4.7687 -3.1732 -3.1508 -2.7010 -2.6924 -2.3413 -2.3160 -1.2114 -1.1409 -0.6583 -0.6296 -0.1042 -0.0395 0.2304 0.3041 0.7035 0.7590 1.3830 1.4346 1.5755 1.6473 2.2691 2.2937 2.3925 2.4328 2.4864 2.5124 2.9348 2.9434 3.0764 3.0828 3.2918 3.3216 3.4611 3.5006 7.8657 8.3286 9.3721 9.7556 10.5932 10.8626 11.5171 11.5409 11.9674 12.1248 k = 0.3590-0.1316-0.0607 ( 4102 PWs) bands (ev): -16.1216 -16.1202 -15.0808 -15.0731 -14.4937 -14.4885 -14.0026 -13.9993 -13.7830 -13.7797 -13.5148 -13.5066 -5.6395 -5.6328 -4.7744 -4.7668 -3.1651 -3.1436 -2.6925 -2.6845 -2.3348 -2.3101 -1.1813 -1.1166 -0.6633 -0.6389 -0.1053 -0.0411 0.2225 0.2986 0.6863 0.7383 1.3742 1.4242 1.5572 1.6324 2.2561 2.2797 2.3996 2.4391 2.4854 2.5113 2.9354 2.9435 3.0819 3.0879 3.3081 3.3318 3.4886 3.5315 7.8763 8.3164 9.3748 9.7419 10.6077 10.8684 11.5372 11.5620 11.9611 12.1131 k = 0.3718-0.1363-0.0629 ( 4101 PWs) bands (ev): -16.1071 -16.1058 -15.0843 -15.0770 -14.5022 -14.4972 -14.0026 -13.9995 -13.7833 -13.7801 -13.5207 -13.5129 -5.6560 -5.6497 -4.7720 -4.7649 -3.1585 -3.1382 -2.6847 -2.6772 -2.3275 -2.3036 -1.1510 -1.0926 -0.6683 -0.6475 -0.1058 -0.0426 0.2148 0.2922 0.6710 0.7192 1.3641 1.4120 1.5412 1.6175 2.2441 2.2665 2.4063 2.4445 2.4851 2.5104 2.9360 2.9436 3.0867 3.0924 3.3212 3.3403 3.5178 3.5618 7.8888 8.3023 9.3800 9.7272 10.6220 10.8711 11.5562 11.5821 11.9554 12.1009 k = 0.3846-0.1411-0.0650 ( 4101 PWs) bands (ev): -16.0934 -16.0922 -15.0878 -15.0809 -14.5104 -14.5057 -14.0021 -13.9992 -13.7835 -13.7804 -13.5262 -13.5189 -5.6713 -5.6654 -4.7696 -4.7631 -3.1533 -3.1345 -2.6777 -2.6708 -2.3192 -2.2965 -1.1211 -1.0692 -0.6735 -0.6554 -0.1055 -0.0438 0.2073 0.2850 0.6574 0.7017 1.3528 1.3976 1.5285 1.6031 2.2332 2.2541 2.4126 2.4488 2.4856 2.5097 2.9366 2.9436 3.0910 3.0962 3.3319 3.3473 3.5474 3.5907 7.9030 8.2864 9.3876 9.7115 10.6364 10.8709 11.5739 11.6009 11.9504 12.0880 k = 0.3974-0.1458-0.0672 ( 4098 PWs) bands (ev): -16.0806 -16.0795 -15.0913 -15.0849 -14.5180 -14.5138 -14.0013 -13.9987 -13.7837 -13.7808 -13.5312 -13.5244 -5.6851 -5.6798 -4.7672 -4.7613 -3.1493 -3.1322 -2.6716 -2.6654 -2.3101 -2.2890 -1.0922 -1.0469 -0.6792 -0.6623 -0.1043 -0.0447 0.2002 0.2767 0.6458 0.6858 1.3407 1.3810 1.5192 1.5894 2.2235 2.2428 2.4182 2.4516 2.4870 2.5092 2.9372 2.9437 3.0947 3.0994 3.3407 3.3533 3.5764 3.6176 7.9189 8.2688 9.3975 9.6948 10.6508 10.8679 11.5906 11.6184 11.9463 12.0748 k = 0.4103-0.1505-0.0694 ( 4100 PWs) bands (ev): -16.0688 -16.0678 -15.0947 -15.0889 -14.5251 -14.5212 -14.0003 -13.9979 -13.7838 -13.7811 -13.5357 -13.5296 -5.6975 -5.6927 -4.7649 -4.7597 -3.1462 -3.1310 -2.6665 -2.6609 -2.3004 -2.2813 -1.0647 -1.0259 -0.6853 -0.6684 -0.1020 -0.0453 0.1937 0.2676 0.6361 0.6716 1.3282 1.3631 1.5132 1.5767 2.2151 2.2326 2.4233 2.4531 2.4892 2.5089 2.9378 2.9437 3.0979 3.1021 3.3481 3.3584 3.6038 3.6419 7.9363 8.2496 9.4095 9.6772 10.6654 10.8622 11.6061 11.6344 11.9432 12.0611 k = 0.4231-0.1552-0.0715 ( 4099 PWs) bands (ev): -16.0582 -16.0572 -15.0978 -15.0927 -14.5314 -14.5279 -13.9992 -13.9971 -13.7838 -13.7814 -13.5397 -13.5342 -5.7083 -5.7041 -4.7629 -4.7583 -3.1440 -3.1307 -2.6623 -2.6574 -2.2906 -2.2738 -1.0394 -1.0066 -0.6915 -0.6739 -0.0986 -0.0459 0.1882 0.2576 0.6283 0.6592 1.3158 1.3450 1.5098 1.5652 2.2081 2.2236 2.4278 2.4535 2.4919 2.5087 2.9385 2.9436 3.1006 3.1043 3.3543 3.3627 3.6292 3.6631 7.9551 8.2291 9.4234 9.6587 10.6802 10.8542 11.6205 11.6484 11.9414 12.0472 k = 0.4359-0.1599-0.0737 ( 4098 PWs) bands (ev): -16.0489 -16.0481 -15.1006 -15.0962 -14.5368 -14.5338 -13.9980 -13.9963 -13.7838 -13.7817 -13.5430 -13.5384 -5.7175 -5.7139 -4.7610 -4.7571 -3.1423 -3.1310 -2.6588 -2.6547 -2.2811 -2.2667 -1.0166 -0.9895 -0.6973 -0.6793 -0.0941 -0.0466 0.1839 0.2468 0.6223 0.6483 1.3042 1.3276 1.5085 1.5550 2.2025 2.2157 2.4317 2.4531 2.4948 2.5085 2.9392 2.9436 3.1029 3.1060 3.3594 3.3662 3.6518 3.6811 7.9752 8.2075 9.4391 9.6393 10.6952 10.8441 11.6338 11.6602 11.9410 12.0331 k = 0.4487-0.1646-0.0759 ( 4104 PWs) bands (ev): -16.0410 -16.0404 -15.1029 -15.0993 -14.5413 -14.5389 -13.9969 -13.9955 -13.7837 -13.7820 -13.5457 -13.5419 -5.7250 -5.7221 -4.7593 -4.7562 -3.1410 -3.1318 -2.6561 -2.6528 -2.2723 -2.2606 -0.9967 -0.9749 -0.7021 -0.6848 -0.0887 -0.0478 0.1814 0.2356 0.6181 0.6391 1.2940 1.3120 1.5087 1.5459 2.1981 2.2089 2.4352 2.4521 2.4977 2.5083 2.9399 2.9434 3.1048 3.1073 3.3637 3.3690 3.6715 3.6955 7.9964 8.1848 9.4563 9.6193 10.7106 10.8322 11.6458 11.6695 11.9425 12.0191 k = 0.4615-0.1693-0.0780 ( 4102 PWs) bands (ev): -16.0348 -16.0343 -15.1047 -15.1020 -14.5447 -14.5429 -13.9960 -13.9949 -13.7836 -13.7823 -13.5478 -13.5449 -5.7308 -5.7286 -4.7579 -4.7555 -3.1398 -3.1329 -2.6541 -2.6516 -2.2647 -2.2558 -0.9802 -0.9635 -0.7054 -0.6902 -0.0825 -0.0498 0.1810 0.2243 0.6156 0.6314 1.2857 1.2987 1.5101 1.5380 2.1951 2.2033 2.4382 2.4508 2.5003 2.5080 2.9405 2.9432 3.1063 3.1082 3.3671 3.3710 3.6878 3.7061 8.0186 8.1614 9.4748 9.5987 10.7262 10.8190 11.6564 11.6759 11.9460 12.0054 k = 0.4744-0.1740-0.0802 ( 4102 PWs) bands (ev): -16.0302 -16.0299 -15.1059 -15.1041 -14.5471 -14.5459 -13.9952 -13.9945 -13.7835 -13.7826 -13.5491 -13.5471 -5.7349 -5.7334 -4.7567 -4.7551 -3.1388 -3.1342 -2.6525 -2.6508 -2.2585 -2.2525 -0.9672 -0.9558 -0.7069 -0.6956 -0.0758 -0.0529 0.1831 0.2133 0.6147 0.6253 1.2799 1.2884 1.5125 1.5311 2.1934 2.1989 2.4409 2.4492 2.5025 2.5076 2.9411 2.9430 3.1074 3.1087 3.3698 3.3723 3.7005 3.7129 8.0416 8.1376 9.4944 9.5777 10.7420 10.8046 11.6654 11.6793 11.9516 11.9922 k = 0.4872-0.1787-0.0824 ( 4106 PWs) bands (ev): -16.0274 -16.0272 -15.1065 -15.1056 -14.5485 -14.5479 -13.9946 -13.9943 -13.7833 -13.7829 -13.5497 -13.5487 -5.7372 -5.7364 -4.7559 -4.7551 -3.1377 -3.1354 -2.6515 -2.6506 -2.2541 -2.2511 -0.9581 -0.9522 -0.7065 -0.7004 -0.0691 -0.0573 0.1876 0.2032 0.6152 0.6205 1.2771 1.2812 1.5159 1.5251 2.1929 2.1957 2.4433 2.4474 2.5043 2.5068 2.9417 2.9426 3.1083 3.1089 3.3716 3.3728 3.7094 3.7157 8.0652 8.1134 9.5147 9.5566 10.7580 10.7895 11.6725 11.6798 11.9593 11.9799 k = 0.5000-0.1834-0.0845 ( 4112 PWs) bands (ev): -16.0264 -16.0264 -15.1064 -15.1064 -14.5487 -14.5487 -13.9943 -13.9943 -13.7831 -13.7831 -13.5495 -13.5495 -5.7377 -5.7377 -4.7553 -4.7553 -3.1366 -3.1366 -2.6508 -2.6508 -2.2516 -2.2516 -0.9530 -0.9530 -0.7042 -0.7042 -0.0628 -0.0628 0.1944 0.1944 0.6172 0.6172 1.2775 1.2775 1.5201 1.5201 2.1937 2.1937 2.4454 2.4454 2.5058 2.5058 2.9422 2.9422 3.1087 3.1087 3.3726 3.3726 3.7145 3.7145 8.0892 8.0892 9.5355 9.5355 10.7738 10.7738 11.6774 11.6774 11.9688 11.9688 k = 0.5000-0.1834 0.2622 ( 4094 PWs) bands (ev): -15.9822 -15.9822 -15.0851 -15.0851 -14.7492 -14.7492 -13.9714 -13.9714 -13.7319 -13.7319 -13.4751 -13.4751 -5.9657 -5.9657 -4.3490 -4.3490 -2.8485 -2.8485 -2.7772 -2.7772 -2.4912 -2.4912 -1.2956 -1.2956 -0.6587 -0.6587 0.0083 0.0083 0.2092 0.2092 0.4590 0.4590 1.1389 1.1389 1.9063 1.9063 2.1660 2.1660 2.3085 2.3085 2.6510 2.6510 3.0510 3.0510 3.1686 3.1686 3.3530 3.3530 3.5662 3.5662 8.1570 8.1570 9.6215 9.6215 10.9733 10.9733 11.5548 11.5548 11.8034 11.8034 k = 0.4884-0.1791 0.2561 ( 4093 PWs) bands (ev): -15.9830 -15.9828 -15.0866 -15.0856 -14.7477 -14.7464 -13.9717 -13.9713 -13.7321 -13.7318 -13.4752 -13.4749 -5.9651 -5.9642 -4.3502 -4.3496 -2.8536 -2.8479 -2.7799 -2.7742 -2.4910 -2.4871 -1.2980 -1.2938 -0.6633 -0.6536 -0.0104 0.0147 0.2029 0.2246 0.4578 0.4632 1.1370 1.1432 1.9055 1.9078 2.1643 2.1684 2.3072 2.3089 2.6510 2.6529 3.0487 3.0516 3.1671 3.1681 3.3524 3.3533 3.5628 3.5687 8.1423 8.1706 9.6134 9.6288 10.9660 10.9787 11.5533 11.5558 11.8029 11.8057 k = 0.4767-0.1748 0.2500 ( 4085 PWs) bands (ev): -15.9853 -15.9849 -15.0900 -15.0881 -14.7420 -14.7395 -13.9724 -13.9716 -13.7325 -13.7320 -13.4753 -13.4747 -5.9625 -5.9607 -4.3531 -4.3519 -2.8627 -2.8521 -2.7819 -2.7714 -2.4865 -2.4791 -1.3011 -1.2926 -0.6677 -0.6483 -0.0371 0.0075 0.2066 0.2455 0.4595 0.4703 1.1373 1.1496 1.9053 1.9097 2.1634 2.1716 2.3051 2.3086 2.6529 2.6565 3.0447 3.0506 3.1635 3.1655 3.3517 3.3533 3.5585 3.5700 8.1267 8.1831 9.6045 9.6354 10.9568 10.9821 11.5515 11.5564 11.8044 11.8098 k = 0.4651-0.1706 0.2439 ( 4086 PWs) bands (ev): -15.9891 -15.9884 -15.0950 -15.0923 -14.7324 -14.7288 -13.9733 -13.9722 -13.7331 -13.7323 -13.4754 -13.4744 -5.9578 -5.9552 -4.3577 -4.3560 -2.8750 -2.8606 -2.7831 -2.7694 -2.4781 -2.4678 -1.3050 -1.2920 -0.6715 -0.6425 -0.0684 -0.0102 0.2168 0.2685 0.4641 0.4804 1.1400 1.1584 1.9059 1.9123 2.1632 2.1754 2.3023 2.3076 2.6565 2.6619 3.0391 3.0478 3.1580 3.1608 3.3507 3.3531 3.5534 3.5703 8.1103 8.1944 9.5950 9.6411 10.9458 10.9837 11.5493 11.5565 11.8077 11.8157 k = 0.4535-0.1663 0.2378 ( 4088 PWs) bands (ev): -15.9943 -15.9934 -15.1012 -15.0979 -14.7192 -14.7148 -13.9746 -13.9731 -13.7338 -13.7328 -13.4753 -13.4741 -5.9511 -5.9477 -4.3639 -4.3617 -2.8898 -2.8726 -2.7837 -2.7682 -2.4663 -2.4540 -1.3098 -1.2920 -0.6747 -0.6362 -0.1017 -0.0340 0.2291 0.2910 0.4719 0.4934 1.1450 1.1694 1.9072 1.9154 2.1635 2.1798 2.2989 2.3062 2.6618 2.6685 3.0322 3.0435 3.1505 3.1540 3.3495 3.3525 3.5475 3.5695 8.0933 8.2043 9.5849 9.6461 10.9328 10.9834 11.5468 11.5560 11.8127 11.8230 k = 0.4419-0.1620 0.2317 ( 4089 PWs) bands (ev): -16.0008 -15.9997 -15.1082 -15.1043 -14.7031 -14.6979 -13.9761 -13.9743 -13.7347 -13.7336 -13.4752 -13.4737 -5.9425 -5.9382 -4.3717 -4.3691 -2.9065 -2.8873 -2.7842 -2.7677 -2.4519 -2.4383 -1.3155 -1.2926 -0.6771 -0.6292 -0.1356 -0.0607 0.2406 0.3115 0.4829 0.5088 1.1525 1.1828 1.9093 1.9192 2.1642 2.1844 2.2952 2.3045 2.6683 2.6762 3.0239 3.0378 3.1410 3.1451 3.3483 3.3517 3.5409 3.5675 8.0757 8.2128 9.5746 9.6505 10.9181 10.9812 11.5439 11.5549 11.8194 11.8318 k = 0.4302-0.1578 0.2256 ( 4086 PWs) bands (ev): -16.0087 -16.0073 -15.1155 -15.1113 -14.6844 -14.6787 -13.9780 -13.9758 -13.7359 -13.7345 -13.4750 -13.4732 -5.9318 -5.9267 -4.3810 -4.3780 -2.9246 -2.9040 -2.7848 -2.7678 -2.4356 -2.4214 -1.3223 -1.2938 -0.6784 -0.6213 -0.1691 -0.0883 0.2499 0.3290 0.4967 0.5260 1.1626 1.1983 1.9124 1.9236 2.1651 2.1891 2.2915 2.3030 2.6757 2.6846 3.0146 3.0307 3.1298 3.1342 3.3469 3.3506 3.5338 3.5645 8.0577 8.2200 9.5640 9.6545 10.9018 10.9772 11.5406 11.5531 11.8274 11.8416 k = 0.4186-0.1535 0.2195 ( 4080 PWs) bands (ev): -16.0178 -16.0162 -15.1228 -15.1184 -14.6637 -14.6576 -13.9802 -13.9777 -13.7372 -13.7357 -13.4745 -13.4725 -5.9193 -5.9134 -4.3918 -4.3884 -2.9437 -2.9221 -2.7855 -2.7683 -2.4183 -2.4039 -1.3301 -1.2957 -0.6784 -0.6124 -0.2014 -0.1156 0.2567 0.3430 0.5128 0.5443 1.1752 1.2160 1.9163 1.9287 2.1658 2.1934 2.2881 2.3018 2.6837 2.6932 3.0043 3.0226 3.1169 3.1214 3.3453 3.3492 3.5263 3.5603 8.0395 8.2257 9.5535 9.6581 10.8838 10.9715 11.5368 11.5505 11.8367 11.8524 k = 0.4070-0.1493 0.2134 ( 4084 PWs) bands (ev): -16.0280 -16.0262 -15.1299 -15.1253 -14.6413 -14.6350 -13.9826 -13.9798 -13.7387 -13.7371 -13.4739 -13.4716 -5.9049 -5.8983 -4.4038 -4.4002 -2.9634 -2.9413 -2.7866 -2.7692 -2.4005 -2.3863 -1.3389 -1.2983 -0.6769 -0.6021 -0.2321 -0.1418 0.2612 0.3539 0.5302 0.5630 1.1904 1.2357 1.9211 1.9346 2.1663 2.1969 2.2854 2.3014 2.6916 2.7016 2.9935 3.0137 3.1025 3.1070 3.3434 3.3475 3.5185 3.5551 8.0212 8.2299 9.5433 9.6616 10.8644 10.9640 11.5324 11.5470 11.8471 11.8640 k = 0.3953-0.1450 0.2073 ( 4086 PWs) bands (ev): -16.0394 -16.0374 -15.1366 -15.1318 -14.6177 -14.6112 -13.9853 -13.9823 -13.7405 -13.7387 -13.4730 -13.4705 -5.8887 -5.8814 -4.4171 -4.4133 -2.9837 -2.9613 -2.7878 -2.7703 -2.3828 -2.3692 -1.3486 -1.3016 -0.6736 -0.5903 -0.2607 -0.1665 0.2637 0.3620 0.5478 0.5816 1.2081 1.2570 1.9265 1.9412 2.1661 2.1991 2.2841 2.3019 2.6989 2.7093 2.9823 3.0041 3.0869 3.0915 3.3411 3.3454 3.5103 3.5490 8.0029 8.2329 9.5334 9.6650 10.8437 10.9547 11.5273 11.5426 11.8583 11.8761 k = 0.3837-0.1407 0.2012 ( 4083 PWs) bands (ev): -16.0517 -16.0495 -15.1426 -15.1378 -14.5932 -14.5866 -13.9883 -13.9850 -13.7424 -13.7406 -13.4719 -13.4692 -5.8707 -5.8628 -4.4315 -4.4276 -3.0042 -2.9819 -2.7894 -2.7717 -2.3658 -2.3528 -1.3592 -1.3057 -0.6683 -0.5771 -0.2868 -0.1892 0.2647 0.3679 0.5648 0.5997 1.2281 1.2797 1.9324 1.9486 2.1653 2.1997 2.2846 2.3036 2.7051 2.7158 2.9711 2.9944 3.0703 3.0754 3.3383 3.3427 3.5021 3.5419 7.9849 8.2346 9.5242 9.6685 10.8218 10.9438 11.5213 11.5372 11.8702 11.8886 k = 0.3721-0.1365 0.1951 ( 4085 PWs) bands (ev): -16.0648 -16.0625 -15.1479 -15.1430 -14.5680 -14.5615 -13.9915 -13.9879 -13.7445 -13.7427 -13.4704 -13.4675 -5.8511 -5.8426 -4.4468 -4.4428 -3.0250 -3.0029 -2.7913 -2.7733 -2.3500 -2.3378 -1.3702 -1.3103 -0.6610 -0.5623 -0.3101 -0.2097 0.2644 0.3721 0.5807 0.6172 1.2501 1.3033 1.9384 1.9566 2.1636 2.1986 2.2872 2.3067 2.7095 2.7204 2.9603 2.9848 3.0530 3.0593 3.3345 3.3396 3.4938 3.5339 7.9672 8.2352 9.5158 9.6723 10.7990 10.9312 11.5143 11.5306 11.8827 11.9014 k = 0.3605-0.1322 0.1890 ( 4085 PWs) bands (ev): -16.0787 -16.0762 -15.1524 -15.1475 -14.5425 -14.5361 -13.9948 -13.9911 -13.7468 -13.7449 -13.4687 -13.4656 -5.8300 -5.8209 -4.4629 -4.4590 -3.0460 -3.0243 -2.7934 -2.7751 -2.3356 -2.3243 -1.3816 -1.3155 -0.6515 -0.5462 -0.3302 -0.2277 0.2631 0.3748 0.5952 0.6339 1.2737 1.3275 1.9440 1.9650 2.1611 2.1959 2.2917 2.3111 2.7116 2.7226 2.9500 2.9756 3.0356 3.0439 3.3297 3.3357 3.4855 3.5252 7.9501 8.2348 9.5084 9.6764 10.7754 10.9171 11.5061 11.5227 11.8956 11.9143 k = 0.3488-0.1279 0.1829 ( 4084 PWs) bands (ev): -16.0933 -16.0906 -15.1561 -15.1511 -14.5169 -14.5108 -13.9983 -13.9944 -13.7492 -13.7473 -13.4666 -13.4633 -5.8074 -5.7978 -4.4797 -4.4758 -3.0671 -3.0459 -2.7957 -2.7771 -2.3232 -2.3127 -1.3928 -1.3210 -0.6400 -0.5292 -0.3465 -0.2431 0.2611 0.3763 0.6082 0.6499 1.2984 1.3517 1.9490 1.9734 2.1578 2.1922 2.2979 2.3171 2.7108 2.7218 2.9405 2.9672 3.0188 3.0298 3.3234 3.3310 3.4775 3.5159 7.9338 8.2337 9.5021 9.6808 10.7512 10.9015 11.4967 11.5135 11.9087 11.9274 k = 0.3372-0.1237 0.1768 ( 4085 PWs) bands (ev): -16.1084 -16.1056 -15.1589 -15.1539 -14.4916 -14.4858 -14.0017 -13.9978 -13.7517 -13.7499 -13.4641 -13.4607 -5.7834 -5.7734 -4.4970 -4.4933 -3.0883 -3.0676 -2.7983 -2.7791 -2.3130 -2.3033 -1.4037 -1.3266 -0.6265 -0.5123 -0.3583 -0.2557 0.2585 0.3768 0.6200 0.6653 1.3238 1.3756 1.9526 1.9813 2.1539 2.1881 2.3056 2.3244 2.7068 2.7178 2.9319 2.9595 3.0035 3.0176 3.3154 3.3252 3.4698 3.5061 7.9184 8.2321 9.4970 9.6858 10.7265 10.8844 11.4858 11.5028 11.9221 11.9405 k = 0.3256-0.1194 0.1707 ( 4086 PWs) bands (ev): -16.1239 -16.1211 -15.1608 -15.1557 -14.4667 -14.4613 -14.0051 -14.0012 -13.7543 -13.7525 -13.4614 -13.4578 -5.7582 -5.7478 -4.5146 -4.5111 -3.1096 -3.0895 -2.8011 -2.7813 -2.3053 -2.2965 -1.4137 -1.3321 -0.6114 -0.4970 -0.3640 -0.2653 0.2556 0.3764 0.6309 0.6802 1.3494 1.3986 1.9545 1.9879 2.1498 2.1841 2.3145 2.3331 2.6996 2.7103 2.9239 2.9521 2.9908 3.0078 3.3056 3.3180 3.4624 3.4960 7.9041 8.2301 9.4933 9.6911 10.7016 10.8660 11.4735 11.4906 11.9355 11.9537 k = 0.3140-0.1151 0.1646 ( 4084 PWs) bands (ev): -16.1398 -16.1369 -15.1619 -15.1567 -14.4426 -14.4377 -14.0081 -14.0043 -13.7570 -13.7552 -13.4583 -13.4546 -5.7320 -5.7212 -4.5324 -4.5291 -3.1310 -3.1114 -2.8040 -2.7836 -2.3004 -2.2923 -1.4224 -1.3372 -0.5950 -0.4851 -0.3621 -0.2716 0.2526 0.3752 0.6411 0.6949 1.3746 1.4204 1.9542 1.9923 2.1459 2.1806 2.3244 2.3430 2.6895 2.6999 2.9164 2.9440 2.9820 3.0007 3.2938 3.3092 3.4555 3.4857 7.8912 8.2281 9.4910 9.6970 10.6766 10.8464 11.4597 11.4769 11.9489 11.9670 k = 0.3023-0.1109 0.1585 ( 4084 PWs) bands (ev): -16.1559 -16.1529 -15.1621 -15.1569 -14.4197 -14.4153 -14.0107 -14.0071 -13.7596 -13.7579 -13.4549 -13.4511 -5.7048 -5.6938 -4.5501 -4.5471 -3.1525 -3.1334 -2.8072 -2.7861 -2.2984 -2.2909 -1.4297 -1.3417 -0.5779 -0.4779 -0.3516 -0.2744 0.2495 0.3733 0.6512 0.7095 1.3991 1.4406 1.9513 1.9936 2.1428 2.1778 2.3353 2.3540 2.6770 2.6871 2.9091 2.9348 2.9774 2.9964 3.2799 3.2985 3.4489 3.4753 7.8798 8.2261 9.4902 9.7034 10.6517 10.8258 11.4444 11.4615 11.9621 11.9803 k = 0.2907-0.1066 0.1524 ( 4084 PWs) bands (ev): -16.1721 -16.1690 -15.1616 -15.1562 -14.3982 -14.3944 -14.0126 -14.0093 -13.7622 -13.7606 -13.4512 -13.4473 -5.6769 -5.6657 -4.5677 -4.5649 -3.1740 -3.1554 -2.8105 -2.7886 -2.2997 -2.2924 -1.4351 -1.3452 -0.5604 -0.4746 -0.3337 -0.2735 0.2466 0.3708 0.6613 0.7243 1.4223 1.4588 1.9456 1.9911 2.1411 2.1759 2.3469 2.3659 2.6631 2.6730 2.9021 2.9251 2.9762 2.9944 3.2641 3.2857 3.4427 3.4651 7.8701 8.2244 9.4911 9.7102 10.6271 10.8042 11.4275 11.4445 11.9751 11.9937 k = 0.2791-0.1023 0.1463 ( 4086 PWs) bands (ev): -16.1883 -16.1852 -15.1603 -15.1548 -14.3785 -14.3754 -14.0135 -14.0106 -13.7648 -13.7631 -13.4472 -13.4432 -5.6484 -5.6372 -4.5848 -4.5823 -3.1955 -3.1774 -2.8139 -2.7911 -2.3042 -2.2968 -1.4385 -1.3477 -0.5434 -0.4736 -0.3105 -0.2684 0.2439 0.3677 0.6719 0.7395 1.4441 1.4748 1.9369 1.9842 2.1411 2.1748 2.3589 2.3781 2.6485 2.6583 2.8957 2.9157 2.9771 2.9943 3.2463 3.2707 3.4366 3.4552 7.8622 8.2231 9.4936 9.7174 10.6028 10.7819 11.4092 11.4260 11.9878 12.0073 k = 0.2674-0.0981 0.1402 ( 4087 PWs) bands (ev): -16.2045 -16.2014 -15.1582 -15.1526 -14.3612 -14.3585 -14.0131 -14.0107 -13.7672 -13.7656 -13.4430 -13.4389 -5.6196 -5.6083 -4.6013 -4.5991 -3.2171 -3.1993 -2.8174 -2.7937 -2.3119 -2.3040 -1.4398 -1.3489 -0.5273 -0.4731 -0.2846 -0.2588 0.2416 0.3643 0.6833 0.7555 1.4640 1.4882 1.9253 1.9730 2.1427 2.1745 2.3709 2.3904 2.6343 2.6442 2.8899 2.9071 2.9790 2.9956 3.2267 3.2534 3.4305 3.4454 7.8563 8.2224 9.4978 9.7251 10.5792 10.7592 11.3895 11.4060 12.0000 12.0209 k = 0.2558-0.0938 0.1342 ( 4090 PWs) bands (ev): -16.2205 -16.2174 -15.1554 -15.1497 -14.3466 -14.3440 -14.0111 -14.0094 -13.7695 -13.7679 -13.4385 -13.4344 -5.5907 -5.5795 -4.6169 -4.6150 -3.2385 -3.2210 -2.8210 -2.7964 -2.3229 -2.3140 -1.4389 -1.3487 -0.5127 -0.4720 -0.2592 -0.2430 0.2397 0.3605 0.6957 0.7725 1.4818 1.4989 1.9109 1.9580 2.1456 2.1749 2.3824 2.4020 2.6213 2.6315 2.8848 2.8996 2.9810 2.9978 3.2057 3.2339 3.4244 3.4360 7.8525 8.2224 9.5038 9.7332 10.5562 10.7361 11.3684 11.3845 12.0118 12.0345 k = 0.2442-0.0896 0.1281 ( 4089 PWs) bands (ev): -16.2362 -16.2332 -15.1520 -15.1461 -14.3352 -14.3322 -14.0075 -14.0063 -13.7716 -13.7701 -13.4340 -13.4298 -5.5620 -5.5508 -4.6315 -4.6299 -3.2599 -3.2426 -2.8246 -2.7990 -2.3368 -2.3266 -1.4358 -1.3472 -0.4999 -0.4695 -0.2374 -0.2193 0.2384 0.3564 0.7095 0.7908 1.4972 1.5069 1.8942 1.9396 2.1495 2.1760 2.3927 2.4122 2.6105 2.6212 2.8805 2.8932 2.9826 3.0004 3.1837 3.2126 3.4181 3.4268 7.8509 8.2230 9.5115 9.7417 10.5341 10.7129 11.3459 11.3618 12.0230 12.0480 k = 0.2326-0.0853 0.1220 ( 4092 PWs) bands (ev): -16.2517 -16.2487 -15.1480 -15.1420 -14.3269 -14.3232 -14.0021 -14.0012 -13.7735 -13.7720 -13.4292 -13.4251 -5.5337 -5.5227 -4.6448 -4.6433 -3.2810 -3.2639 -2.8283 -2.8016 -2.3534 -2.3417 -1.4307 -1.3442 -0.4892 -0.4651 -0.2166 -0.1915 0.2377 0.3523 0.7247 0.8107 1.5093 1.5127 1.8755 1.9186 2.1541 2.1779 2.4010 2.4202 2.6026 2.6140 2.8769 2.8879 2.9832 3.0029 3.1613 3.1897 3.4115 3.4177 7.8515 8.2242 9.5209 9.7507 10.5129 10.6900 11.3221 11.3379 12.0337 12.0613 k = 0.2209-0.0810 0.1159 ( 4095 PWs) bands (ev): -16.2668 -16.2639 -15.1434 -15.1373 -14.3218 -14.3172 -13.9952 -13.9940 -13.7751 -13.7737 -13.4245 -13.4203 -5.5062 -5.4953 -4.6565 -4.6552 -3.3018 -3.2849 -2.8320 -2.8041 -2.3725 -2.3592 -1.4238 -1.3398 -0.4805 -0.4586 -0.1947 -0.1635 0.2377 0.3480 0.7416 0.8324 1.5129 1.5215 1.8552 1.8955 2.1594 2.1804 2.4068 2.4252 2.5982 2.6102 2.8737 2.8837 2.9819 3.0046 3.1395 3.1660 3.4046 3.4089 7.8543 8.2261 9.5321 9.7600 10.4927 10.6676 11.2968 11.3132 12.0438 12.0743 k = 0.2093-0.0768 0.1098 ( 4091 PWs) bands (ev): -16.2814 -16.2786 -15.1383 -15.1322 -14.3196 -14.3142 -13.9866 -13.9850 -13.7765 -13.7751 -13.4196 -13.4155 -5.4797 -5.4691 -4.6665 -4.6652 -3.3222 -3.3056 -2.8357 -2.8066 -2.3938 -2.3787 -1.4152 -1.3342 -0.4728 -0.4505 -0.1717 -0.1365 0.2384 0.3438 0.7602 0.8561 1.5120 1.5293 1.8340 1.8712 2.1651 2.1837 2.4096 2.4269 2.5973 2.6100 2.8705 2.8802 2.9778 3.0047 3.1197 3.1426 3.3973 3.4003 7.8594 8.2286 9.5449 9.7697 10.4735 10.6460 11.2702 11.2877 12.0534 12.0869 k = 0.1977-0.0725 0.1037 ( 4090 PWs) bands (ev): -16.2956 -16.2928 -15.1328 -15.1266 -14.3201 -14.3139 -13.9765 -13.9746 -13.7776 -13.7762 -13.4147 -13.4107 -5.4545 -5.4443 -4.6744 -4.6731 -3.3422 -3.3258 -2.8392 -2.8088 -2.4169 -2.4000 -1.4051 -1.3275 -0.4653 -0.4416 -0.1481 -0.1112 0.2397 0.3396 0.7805 0.8821 1.5082 1.5347 1.8126 1.8462 2.1713 2.1878 2.4096 2.4255 2.5994 2.6126 2.8666 2.8772 2.9701 3.0017 3.1035 3.1212 3.3895 3.3920 7.8666 8.2314 9.5594 9.7797 10.4554 10.6254 11.2422 11.2617 12.0623 12.0990 k = 0.1860-0.0682 0.0976 ( 4089 PWs) bands (ev): -16.3092 -16.3065 -15.1269 -15.1207 -14.3228 -14.3160 -13.9654 -13.9631 -13.7784 -13.7770 -13.4099 -13.4060 -5.4310 -5.4212 -4.6801 -4.6787 -3.3616 -3.3455 -2.8427 -2.8110 -2.4416 -2.4228 -1.3938 -1.3198 -0.4573 -0.4322 -0.1246 -0.0880 0.2416 0.3356 0.8024 0.9103 1.5018 1.5377 1.7914 1.8215 2.1779 2.1925 2.4070 2.4215 2.6035 2.6173 2.8612 2.8740 2.9586 2.9940 3.0922 3.1043 3.3813 3.3840 7.8759 8.2345 9.5754 9.7902 10.4385 10.6063 11.2129 11.2354 12.0707 12.1105 k = 0.1744-0.0640 0.0915 ( 4084 PWs) bands (ev): -16.3221 -16.3196 -15.1207 -15.1145 -14.3273 -14.3201 -13.9535 -13.9511 -13.7789 -13.7775 -13.4052 -13.4014 -5.4095 -5.4000 -4.6834 -4.6819 -3.3804 -3.3646 -2.8460 -2.8129 -2.4675 -2.4469 -1.3814 -1.3113 -0.4486 -0.4225 -0.1019 -0.0671 0.2440 0.3318 0.8259 0.9408 1.4930 1.5382 1.7713 1.7978 2.1848 2.1979 2.4026 2.4155 2.6081 2.6230 2.8528 2.8694 2.9447 2.9811 3.0861 3.0936 3.3730 3.3761 7.8873 8.2376 9.5928 9.8009 10.4226 10.5888 11.1824 11.2087 12.0785 12.1211 k = 0.1628-0.0597 0.0854 ( 4084 PWs) bands (ev): -16.3345 -16.3320 -15.1142 -15.1081 -14.3334 -14.3259 -13.9413 -13.9388 -13.7790 -13.7775 -13.4005 -13.3969 -5.3900 -5.3811 -4.6842 -4.6826 -3.3984 -3.3830 -2.8491 -2.8145 -2.4944 -2.4718 -1.3683 -1.3022 -0.4391 -0.4127 -0.0805 -0.0488 0.2467 0.3281 0.8506 0.9732 1.4821 1.5365 1.7529 1.7759 2.1919 2.2038 2.3966 2.4082 2.6121 2.6283 2.8400 2.8618 2.9315 2.9653 3.0843 3.0889 3.3647 3.3683 7.9005 8.2406 9.6115 9.8120 10.4078 10.5733 11.1509 11.1817 12.0857 12.1309 k = 0.1512-0.0554 0.0793 ( 4083 PWs) bands (ev): -16.3461 -16.3438 -15.1076 -15.1016 -14.3405 -14.3329 -13.9291 -13.9267 -13.7787 -13.7772 -13.3960 -13.3925 -5.3729 -5.3645 -4.6825 -4.6808 -3.4156 -3.4008 -2.8520 -2.8158 -2.5219 -2.4973 -1.3547 -1.2927 -0.4289 -0.4027 -0.0607 -0.0328 0.2497 0.3245 0.8762 1.0072 1.4694 1.5328 1.7370 1.7567 2.1992 2.2101 2.3895 2.4000 2.6137 2.6319 2.8229 2.8492 2.9213 2.9506 3.0856 3.0886 3.3565 3.3605 7.9154 8.2432 9.6313 9.8233 10.3942 10.5600 11.1187 11.1546 12.0924 12.1398 k = 0.1395-0.0512 0.0732 ( 4082 PWs) bands (ev): -16.3570 -16.3549 -15.1009 -15.0950 -14.3483 -14.3407 -13.9172 -13.9150 -13.7780 -13.7764 -13.3917 -13.3884 -5.3581 -5.3503 -4.6783 -4.6767 -3.4319 -3.4176 -2.8545 -2.8167 -2.5497 -2.5231 -1.3408 -1.2830 -0.4181 -0.3926 -0.0431 -0.0191 0.2526 0.3211 0.9022 1.0421 1.4554 1.5277 1.7243 1.7409 2.2064 2.2166 2.3814 2.3911 2.6111 2.6323 2.8037 2.8312 2.9150 2.9398 3.0889 3.0912 3.3487 3.3529 7.9318 8.2451 9.6520 9.8346 10.3819 10.5488 11.0860 11.1273 12.0986 12.1476 k = 0.1279-0.0469 0.0671 ( 4084 PWs) bands (ev): -16.3672 -16.3652 -15.0941 -15.0884 -14.3566 -14.3492 -13.9060 -13.9040 -13.7769 -13.7752 -13.3875 -13.3844 -5.3457 -5.3385 -4.6720 -4.6704 -3.4471 -3.4336 -2.8566 -2.8172 -2.5776 -2.5489 -1.3267 -1.2733 -0.4068 -0.3825 -0.0277 -0.0071 0.2554 0.3176 0.9280 1.0769 1.4407 1.5217 1.7153 1.7293 2.2136 2.2232 2.3723 2.3816 2.6025 2.6276 2.7856 2.8106 2.9117 2.9327 3.0936 3.0955 3.3411 3.3455 7.9495 8.2463 9.6733 9.8460 10.3711 10.5398 11.0531 11.1001 12.1045 12.1543 k = 0.1163-0.0426 0.0610 ( 4083 PWs) bands (ev): -16.3765 -16.3747 -15.0875 -15.0820 -14.3651 -14.3579 -13.8958 -13.8940 -13.7753 -13.7735 -13.3837 -13.3808 -5.3355 -5.3289 -4.6638 -4.6623 -3.4614 -3.4486 -2.8582 -2.8172 -2.6053 -2.5744 -1.3128 -1.2638 -0.3951 -0.3725 -0.0150 0.0034 0.2580 0.3141 0.9531 1.1102 1.4262 1.5154 1.7103 1.7224 2.2205 2.2297 2.3622 2.3717 2.5865 2.6158 2.7717 2.7914 2.9102 2.9283 3.0992 3.1010 3.3340 3.3384 7.9683 8.2463 9.6951 9.8570 10.3621 10.5326 11.0204 11.0729 12.1099 12.1598 k = 0.1047-0.0384 0.0549 ( 4084 PWs) bands (ev): -16.3851 -16.3834 -15.0810 -15.0758 -14.3735 -14.3667 -13.8865 -13.8851 -13.7733 -13.7715 -13.3800 -13.3774 -5.3274 -5.3213 -4.6541 -4.6527 -3.4744 -3.4625 -2.8592 -2.8166 -2.6325 -2.5993 -1.2992 -1.2547 -0.3834 -0.3627 -0.0048 0.0126 0.2604 0.3104 0.9768 1.1402 1.4132 1.5094 1.7099 1.7208 2.2270 2.2359 2.3506 2.3611 2.5635 2.5957 2.7629 2.7770 2.9097 2.9255 3.1054 3.1070 3.3273 3.3316 7.9879 8.2452 9.7168 9.8675 10.3553 10.5271 10.9884 11.0461 12.1151 12.1641 k = 0.0930-0.0341 0.0488 ( 4089 PWs) bands (ev): -16.3927 -16.3912 -15.0748 -15.0700 -14.3816 -14.3752 -13.8785 -13.8773 -13.7709 -13.7691 -13.3767 -13.3743 -5.3210 -5.3157 -4.6435 -4.6423 -3.4862 -3.4754 -2.8595 -2.8154 -2.6588 -2.6233 -1.2861 -1.2463 -0.3718 -0.3533 0.0032 0.0208 0.2625 0.3066 0.9988 1.1646 1.4035 1.5039 1.7146 1.7247 2.2329 2.2416 2.3372 2.3497 2.5359 2.5684 2.7583 2.7680 2.9098 2.9234 3.1118 3.1134 3.3212 3.3252 8.0081 8.2426 9.7384 9.8769 10.3511 10.5225 10.9579 11.0197 12.1201 12.1673 k = 0.0814-0.0299 0.0427 ( 4087 PWs) bands (ev): -16.3996 -16.3982 -15.0689 -15.0646 -14.3892 -14.3834 -13.8717 -13.8707 -13.7682 -13.7664 -13.3737 -13.3716 -5.3162 -5.3115 -4.6325 -4.6314 -3.4968 -3.4870 -2.8589 -2.8134 -2.6840 -2.6463 -1.2737 -1.2386 -0.3606 -0.3445 0.0096 0.0275 0.2643 0.3026 1.0188 1.1809 1.3990 1.4989 1.7246 1.7342 2.2379 2.2464 2.3215 2.3368 2.5068 2.5368 2.7567 2.7634 2.9101 2.9217 3.1182 3.1197 3.3156 3.3194 8.0287 8.2386 9.7595 9.8850 10.3501 10.5181 10.9294 10.9939 12.1250 12.1693 k = 0.0698-0.0256 0.0366 ( 4085 PWs) bands (ev): -16.4055 -16.4043 -15.0636 -15.0597 -14.3961 -14.3909 -13.8660 -13.8653 -13.7653 -13.7637 -13.3710 -13.3692 -5.3126 -5.3085 -4.6216 -4.6206 -3.5059 -3.4973 -2.8574 -2.8107 -2.7078 -2.6680 -1.2623 -1.2319 -0.3500 -0.3365 0.0147 0.0328 0.2660 0.2984 1.0368 1.1879 1.4006 1.4942 1.7401 1.7492 2.2411 2.2497 2.3037 2.3220 2.4791 2.5044 2.7567 2.7616 2.9106 2.9204 3.1243 3.1257 3.3107 3.3141 8.0495 8.2329 9.7798 9.8912 10.3526 10.5132 10.9040 10.9691 12.1297 12.1701 k = 0.0581-0.0213 0.0305 ( 4085 PWs) bands (ev): -16.4105 -16.4096 -15.0588 -15.0554 -14.4021 -14.3977 -13.8615 -13.8609 -13.7625 -13.7611 -13.3687 -13.3672 -5.3100 -5.3066 -4.6113 -4.6105 -3.5137 -3.5063 -2.8547 -2.8072 -2.7299 -2.6883 -1.2518 -1.2264 -0.3404 -0.3293 0.0192 0.0366 0.2676 0.2942 1.0531 1.1863 1.4075 1.4893 1.7604 1.7692 2.2401 2.2496 2.2865 2.3053 2.4551 2.4746 2.7575 2.7612 2.9111 2.9191 3.1299 3.1312 3.3064 3.3094 8.0701 8.2255 9.7992 9.8951 10.3589 10.5067 10.8827 10.9454 12.1344 12.1699 k = 0.0465-0.0171 0.0244 ( 4085 PWs) bands (ev): -16.4146 -16.4139 -15.0546 -15.0519 -14.4072 -14.4036 -13.8579 -13.8575 -13.7599 -13.7587 -13.3668 -13.3655 -5.3081 -5.3054 -4.6021 -4.6016 -3.5199 -3.5140 -2.8508 -2.8032 -2.7497 -2.7070 -1.2426 -1.2221 -0.3319 -0.3233 0.0231 0.0388 0.2691 0.2901 1.0680 1.1783 1.4175 1.4841 1.7841 1.7930 2.2287 2.2429 2.2769 2.2897 2.4362 2.4498 2.7587 2.7614 2.9117 2.9180 3.1348 3.1360 3.3029 3.3054 8.0904 8.2164 9.8173 9.8964 10.3688 10.4978 10.8664 10.9232 12.1391 12.1687 k = 0.0349-0.0128 0.0183 ( 4087 PWs) bands (ev): -16.4178 -16.4172 -15.0512 -15.0491 -14.4112 -14.4084 -13.8553 -13.8551 -13.7576 -13.7566 -13.3652 -13.3643 -5.3068 -5.3048 -4.5945 -4.5941 -3.5247 -3.5201 -2.8454 -2.7994 -2.7662 -2.7240 -1.2347 -1.2192 -0.3249 -0.3185 0.0267 0.0397 0.2707 0.2863 1.0822 1.1666 1.4284 1.4785 1.8092 1.8184 2.2075 2.2266 2.2748 2.2808 2.4223 2.4313 2.7599 2.7619 2.9123 2.9169 3.1389 3.1398 3.3002 3.3021 8.1101 8.2056 9.8341 9.8949 10.3822 10.4861 10.8559 10.9030 12.1437 12.1666 k = 0.0233-0.0085 0.0122 ( 4084 PWs) bands (ev): -16.4201 -16.4197 -15.0486 -15.0472 -14.4139 -14.4121 -13.8535 -13.8534 -13.7558 -13.7551 -13.3640 -13.3634 -5.3059 -5.3046 -4.5888 -4.5885 -3.5279 -3.5248 -2.8384 -2.8001 -2.7750 -2.7392 -1.2282 -1.2179 -0.3194 -0.3153 0.0301 0.0394 0.2725 0.2827 1.0960 1.1529 1.4390 1.4723 1.8331 1.8414 2.1862 2.2037 2.2753 2.2781 2.4133 2.4186 2.7610 2.7623 2.9129 2.9160 3.1420 3.1426 3.2983 3.2996 8.1290 8.1932 9.8494 9.8907 10.3985 10.4714 10.8514 10.8852 12.1482 12.1639 k = 0.0116-0.0043 0.0061 ( 4083 PWs) bands (ev): -16.4214 -16.4212 -15.0468 -15.0461 -14.4154 -14.4145 -13.8525 -13.8524 -13.7546 -13.7543 -13.3633 -13.3629 -5.3053 -5.3046 -4.5853 -4.5851 -3.5295 -3.5279 -2.8299 -2.8088 -2.7723 -2.7525 -1.2232 -1.2181 -0.3157 -0.3137 0.0332 0.0381 0.2745 0.2796 1.1099 1.1385 1.4488 1.4653 1.8519 1.8571 2.1723 2.1828 2.2763 2.2774 2.4085 2.4110 2.7618 2.7624 2.9136 2.9151 3.1440 3.1443 3.2973 3.2980 8.1469 8.1792 9.8629 9.8838 10.4166 10.4542 10.8527 10.8704 12.1526 12.1605 k = 0.0000 0.0000 0.0000 ( 4083 PWs) bands (ev): -16.4218 -16.4218 -15.0460 -15.0460 -14.4156 -14.4156 -13.8521 -13.8521 -13.7541 -13.7541 -13.3629 -13.3629 -5.3049 -5.3049 -4.5840 -4.5840 -3.5295 -3.5295 -2.8198 -2.8198 -2.7638 -2.7638 -1.2199 -1.2199 -0.3138 -0.3138 0.0359 0.0359 0.2768 0.2768 1.1241 1.1241 1.4575 1.4575 1.8609 1.8609 2.1709 2.1709 2.2770 2.2770 2.4078 2.4078 2.7623 2.7623 2.9143 2.9143 3.1447 3.1447 3.2972 3.2972 8.1637 8.1637 9.8744 9.8744 10.4356 10.4356 10.8593 10.8593 12.1567 12.1567 Writing output data file BixBO2x3.save init_run : 3.13s CPU 12.23s WALL ( 1 calls) electrons : 872.32s CPU 881.02s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.43s CPU 1.65s WALL ( 1 calls) Called by electrons: c_bands : 872.28s CPU 880.59s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.95s WALL ( 1 calls) v_h : 0.01s CPU 0.04s WALL ( 1 calls) v_xc : 0.05s CPU 0.64s WALL ( 1 calls) newd : 0.22s CPU 0.36s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.21s WALL ( 334 calls) cegterg : 821.30s CPU 826.33s WALL ( 726 calls) Called by sum_band: Called by *egterg: h_psi : 327.90s CPU 335.67s WALL ( 13068 calls) s_psi : 23.66s CPU 24.20s WALL ( 13068 calls) g_psi : 0.85s CPU 0.89s WALL ( 12008 calls) cdiaghg : 348.74s CPU 346.04s WALL ( 12342 calls) cegterg:over : 75.45s CPU 72.54s WALL ( 12008 calls) cegterg:upda : 17.70s CPU 21.22s WALL ( 12008 calls) cegterg:last : 14.06s CPU 14.84s WALL ( 2062 calls) Called by h_psi: h_psi:vloc : 261.32s CPU 267.63s WALL ( 13068 calls) h_psi:vnl : 66.22s CPU 67.10s WALL ( 13068 calls) add_vuspsi : 19.25s CPU 22.94s WALL ( 13068 calls) General routines calbec : 46.93s CPU 44.00s WALL ( 13068 calls) fft : 0.28s CPU 1.89s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 249.50s CPU 252.05s WALL ( 1531776 calls) interpolate : 0.06s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 1.85s WALL ( 668 calls) Parallel routines fft_scatter : 162.54s CPU 159.55s WALL ( 1531799 calls) PWSCF : 15m36.81s CPU 17m 1.46s WALL This run was terminated on: 12:52:11 25Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=