Program PWSCF v.5.1.1 starts on 23Jul2015 at 11:55:38 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: ./TiSi2.save/ file Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3D 3D 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 77 28 8 2784 594 93 Max 78 29 9 2787 613 96 Sum 3717 1347 389 133685 29007 4553 bravais-lattice index = 14 lattice parameter (alat) = 11.2378 a.u. unit-cell volume = 572.4301 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 52.0000 Ry charge density cutoff = 576.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.237754 celldm(2)= 0.824454 celldm(3)= 0.803760 celldm(4)= 0.245792 celldm(5)= 0.601116 celldm(6)= 0.626896 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.516847 0.642335 0.000000 ) a(3) = ( 0.483153 -0.135192 0.627946 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.804638 -0.942651 ) b(2) = ( 0.000000 1.556821 0.335172 ) b(3) = ( 0.000000 0.000000 1.592492 ) PseudoPot. # 1 for Ti read from file: /home/autes/Pseudo/Ti.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ed6a930860ac2325f16e0d84c006faf2 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1177 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Si read from file: /home/autes/Pseudo/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: fdd4f0c14d34ff7e95251eb8672b2767 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 Ti 12.00 47.86700 Ti( 1.00) Si 4.00 28.08550 Si( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 427 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 2) = ( 0.0128205 -0.0103159 0.0083313), wk = 0.0023419 k( 3) = ( 0.0256410 -0.0206317 0.0166626), wk = 0.0023419 k( 4) = ( 0.0384615 -0.0309476 0.0249939), wk = 0.0023419 k( 5) = ( 0.0512821 -0.0412635 0.0333252), wk = 0.0023419 k( 6) = ( 0.0641026 -0.0515793 0.0416565), wk = 0.0023419 k( 7) = ( 0.0769231 -0.0618952 0.0499878), wk = 0.0023419 k( 8) = ( 0.0897436 -0.0722111 0.0583191), wk = 0.0023419 k( 9) = ( 0.1025641 -0.0825269 0.0666504), wk = 0.0023419 k( 10) = ( 0.1153846 -0.0928428 0.0749817), wk = 0.0023419 k( 11) = ( 0.1282051 -0.1031587 0.0833130), wk = 0.0023419 k( 12) = ( 0.1410256 -0.1134745 0.0916443), wk = 0.0023419 k( 13) = ( 0.1538461 -0.1237904 0.0999756), wk = 0.0023419 k( 14) = ( 0.1666667 -0.1341063 0.1083070), wk = 0.0023419 k( 15) = ( 0.1794872 -0.1444222 0.1166383), wk = 0.0023419 k( 16) = ( 0.1923077 -0.1547380 0.1249696), wk = 0.0023419 k( 17) = ( 0.2051282 -0.1650539 0.1333009), wk = 0.0023419 k( 18) = ( 0.2179487 -0.1753698 0.1416322), wk = 0.0023419 k( 19) = ( 0.2307692 -0.1856856 0.1499635), wk = 0.0023419 k( 20) = ( 0.2435897 -0.1960015 0.1582948), wk = 0.0023419 k( 21) = ( 0.2564103 -0.2063174 0.1666261), wk = 0.0023419 k( 22) = ( 0.2692308 -0.2166332 0.1749574), wk = 0.0023419 k( 23) = ( 0.2820513 -0.2269491 0.1832887), wk = 0.0023419 k( 24) = ( 0.2948718 -0.2372650 0.1916200), wk = 0.0023419 k( 25) = ( 0.3076923 -0.2475808 0.1999513), wk = 0.0023419 k( 26) = ( 0.3205128 -0.2578967 0.2082826), wk = 0.0023419 k( 27) = ( 0.3333333 -0.2682126 0.2166139), wk = 0.0023419 k( 28) = ( 0.3461538 -0.2785284 0.2249452), wk = 0.0023419 k( 29) = ( 0.3589744 -0.2888443 0.2332765), wk = 0.0023419 k( 30) = ( 0.3717949 -0.2991602 0.2416078), wk = 0.0023419 k( 31) = ( 0.3846154 -0.3094760 0.2499391), wk = 0.0023419 k( 32) = ( 0.3974359 -0.3197919 0.2582704), wk = 0.0023419 k( 33) = ( 0.4102564 -0.3301078 0.2666017), wk = 0.0023419 k( 34) = ( 0.4230769 -0.3404236 0.2749330), wk = 0.0023419 k( 35) = ( 0.4358974 -0.3507395 0.2832643), wk = 0.0023419 k( 36) = ( 0.4487179 -0.3610554 0.2915956), wk = 0.0023419 k( 37) = ( 0.4615385 -0.3713712 0.2999269), wk = 0.0023419 k( 38) = ( 0.4743590 -0.3816871 0.3082582), wk = 0.0023419 k( 39) = ( 0.4871795 -0.3920030 0.3165896), wk = 0.0023419 k( 40) = ( 0.5000000 -0.4023188 0.3249209), wk = 0.0023419 k( 41) = ( 0.5000000 -0.4023188 0.3249209), wk = 0.0023419 k( 42) = ( 0.5135135 -0.3921542 0.3167117), wk = 0.0023419 k( 43) = ( 0.5270270 -0.3819896 0.3085025), wk = 0.0023419 k( 44) = ( 0.5405405 -0.3718249 0.3002933), wk = 0.0023419 k( 45) = ( 0.5540540 -0.3616603 0.2920842), wk = 0.0023419 k( 46) = ( 0.5675676 -0.3514956 0.2838750), wk = 0.0023419 k( 47) = ( 0.5810811 -0.3413310 0.2756658), wk = 0.0023419 k( 48) = ( 0.5945946 -0.3311664 0.2674567), wk = 0.0023419 k( 49) = ( 0.6081081 -0.3210017 0.2592475), wk = 0.0023419 k( 50) = ( 0.6216216 -0.3108371 0.2510383), wk = 0.0023419 k( 51) = ( 0.6351351 -0.3006724 0.2428292), wk = 0.0023419 k( 52) = ( 0.6486487 -0.2905078 0.2346200), wk = 0.0023419 k( 53) = ( 0.6621622 -0.2803432 0.2264108), wk = 0.0023419 k( 54) = ( 0.6756757 -0.2701785 0.2182016), wk = 0.0023419 k( 55) = ( 0.6891892 -0.2600139 0.2099925), wk = 0.0023419 k( 56) = ( 0.7027027 -0.2498492 0.2017833), wk = 0.0023419 k( 57) = ( 0.7162162 -0.2396846 0.1935741), wk = 0.0023419 k( 58) = ( 0.7297297 -0.2295200 0.1853650), wk = 0.0023419 k( 59) = ( 0.7432432 -0.2193553 0.1771558), wk = 0.0023419 k( 60) = ( 0.7567568 -0.2091907 0.1689466), wk = 0.0023419 k( 61) = ( 0.7702703 -0.1990260 0.1607375), wk = 0.0023419 k( 62) = ( 0.7837838 -0.1888614 0.1525283), wk = 0.0023419 k( 63) = ( 0.7972973 -0.1786968 0.1443191), wk = 0.0023419 k( 64) = ( 0.8108108 -0.1685321 0.1361100), wk = 0.0023419 k( 65) = ( 0.8243243 -0.1583675 0.1279008), wk = 0.0023419 k( 66) = ( 0.8378378 -0.1482028 0.1196916), wk = 0.0023419 k( 67) = ( 0.8513513 -0.1380382 0.1114824), wk = 0.0023419 k( 68) = ( 0.8648649 -0.1278736 0.1032733), wk = 0.0023419 k( 69) = ( 0.8783784 -0.1177089 0.0950641), wk = 0.0023419 k( 70) = ( 0.8918919 -0.1075443 0.0868549), wk = 0.0023419 k( 71) = ( 0.9054054 -0.0973796 0.0786458), wk = 0.0023419 k( 72) = ( 0.9189189 -0.0872150 0.0704366), wk = 0.0023419 k( 73) = ( 0.9324324 -0.0770504 0.0622274), wk = 0.0023419 k( 74) = ( 0.9459460 -0.0668857 0.0540183), wk = 0.0023419 k( 75) = ( 0.9594595 -0.0567211 0.0458091), wk = 0.0023419 k( 76) = ( 0.9729730 -0.0465564 0.0375999), wk = 0.0023419 k( 77) = ( 0.9864865 -0.0363918 0.0293908), wk = 0.0023419 k( 78) = ( 1.0000000 -0.0262272 0.0211816), wk = 0.0023419 k( 79) = ( 1.0000000 -0.0262272 0.0211816), wk = 0.0023419 k( 80) = ( 0.9871795 -0.0159113 0.0128503), wk = 0.0023419 k( 81) = ( 0.9743590 -0.0055954 0.0045190), wk = 0.0023419 k( 82) = ( 0.9615385 0.0047204 -0.0038123), wk = 0.0023419 k( 83) = ( 0.9487180 0.0150363 -0.0121436), wk = 0.0023419 k( 84) = ( 0.9358974 0.0253522 -0.0204749), wk = 0.0023419 k( 85) = ( 0.9230769 0.0356681 -0.0288062), wk = 0.0023419 k( 86) = ( 0.9102564 0.0459839 -0.0371375), wk = 0.0023419 k( 87) = ( 0.8974359 0.0562998 -0.0454688), wk = 0.0023419 k( 88) = ( 0.8846154 0.0666157 -0.0538002), wk = 0.0023419 k( 89) = ( 0.8717949 0.0769315 -0.0621315), wk = 0.0023419 k( 90) = ( 0.8589744 0.0872474 -0.0704628), wk = 0.0023419 k( 91) = ( 0.8461538 0.0975633 -0.0787941), wk = 0.0023419 k( 92) = ( 0.8333333 0.1078791 -0.0871254), wk = 0.0023419 k( 93) = ( 0.8205128 0.1181950 -0.0954567), wk = 0.0023419 k( 94) = ( 0.8076923 0.1285109 -0.1037880), wk = 0.0023419 k( 95) = ( 0.7948718 0.1388267 -0.1121193), wk = 0.0023419 k( 96) = ( 0.7820513 0.1491426 -0.1204506), wk = 0.0023419 k( 97) = ( 0.7692308 0.1594585 -0.1287819), wk = 0.0023419 k( 98) = ( 0.7564103 0.1697743 -0.1371132), wk = 0.0023419 k( 99) = ( 0.7435897 0.1800902 -0.1454445), wk = 0.0023419 k( 100) = ( 0.7307692 0.1904061 -0.1537758), wk = 0.0023419 k( 101) = ( 0.7179487 0.2007219 -0.1621071), wk = 0.0023419 k( 102) = ( 0.7051282 0.2110378 -0.1704384), wk = 0.0023419 k( 103) = ( 0.6923077 0.2213537 -0.1787697), wk = 0.0023419 k( 104) = ( 0.6794872 0.2316695 -0.1871010), wk = 0.0023419 k( 105) = ( 0.6666667 0.2419854 -0.1954323), wk = 0.0023419 k( 106) = ( 0.6538462 0.2523013 -0.2037636), wk = 0.0023419 k( 107) = ( 0.6410256 0.2626171 -0.2120949), wk = 0.0023419 k( 108) = ( 0.6282051 0.2729330 -0.2204262), wk = 0.0023419 k( 109) = ( 0.6153846 0.2832489 -0.2287575), wk = 0.0023419 k( 110) = ( 0.6025641 0.2935647 -0.2370888), wk = 0.0023419 k( 111) = ( 0.5897436 0.3038806 -0.2454201), wk = 0.0023419 k( 112) = ( 0.5769231 0.3141965 -0.2537514), wk = 0.0023419 k( 113) = ( 0.5641026 0.3245124 -0.2620828), wk = 0.0023419 k( 114) = ( 0.5512820 0.3348282 -0.2704141), wk = 0.0023419 k( 115) = ( 0.5384615 0.3451441 -0.2787454), wk = 0.0023419 k( 116) = ( 0.5256410 0.3554600 -0.2870767), wk = 0.0023419 k( 117) = ( 0.5128205 0.3657758 -0.2954080), wk = 0.0023419 k( 118) = ( 0.5000000 0.3760917 -0.3037393), wk = 0.0023419 k( 119) = ( 0.5000000 0.3760917 -0.3037393), wk = 0.0023419 k( 120) = ( 0.4864865 0.3659271 -0.2955301), wk = 0.0023419 k( 121) = ( 0.4729730 0.3557624 -0.2873209), wk = 0.0023419 k( 122) = ( 0.4594595 0.3455978 -0.2791118), wk = 0.0023419 k( 123) = ( 0.4459459 0.3354331 -0.2709026), wk = 0.0023419 k( 124) = ( 0.4324324 0.3252685 -0.2626934), wk = 0.0023419 k( 125) = ( 0.4189189 0.3151038 -0.2544843), wk = 0.0023419 k( 126) = ( 0.4054054 0.3049392 -0.2462751), wk = 0.0023419 k( 127) = ( 0.3918919 0.2947746 -0.2380659), wk = 0.0023419 k( 128) = ( 0.3783784 0.2846099 -0.2298567), wk = 0.0023419 k( 129) = ( 0.3648649 0.2744453 -0.2216476), wk = 0.0023419 k( 130) = ( 0.3513514 0.2642806 -0.2134384), wk = 0.0023419 k( 131) = ( 0.3378378 0.2541160 -0.2052292), wk = 0.0023419 k( 132) = ( 0.3243243 0.2439514 -0.1970201), wk = 0.0023419 k( 133) = ( 0.3108108 0.2337867 -0.1888109), wk = 0.0023419 k( 134) = ( 0.2972973 0.2236221 -0.1806017), wk = 0.0023419 k( 135) = ( 0.2837838 0.2134574 -0.1723926), wk = 0.0023419 k( 136) = ( 0.2702703 0.2032928 -0.1641834), wk = 0.0023419 k( 137) = ( 0.2567568 0.1931282 -0.1559742), wk = 0.0023419 k( 138) = ( 0.2432432 0.1829635 -0.1477650), wk = 0.0023419 k( 139) = ( 0.2297297 0.1727989 -0.1395559), wk = 0.0023419 k( 140) = ( 0.2162162 0.1626342 -0.1313467), wk = 0.0023419 k( 141) = ( 0.2027027 0.1524696 -0.1231375), wk = 0.0023419 k( 142) = ( 0.1891892 0.1423050 -0.1149284), wk = 0.0023419 k( 143) = ( 0.1756757 0.1321403 -0.1067192), wk = 0.0023419 k( 144) = ( 0.1621622 0.1219757 -0.0985100), wk = 0.0023419 k( 145) = ( 0.1486486 0.1118110 -0.0903009), wk = 0.0023419 k( 146) = ( 0.1351351 0.1016464 -0.0820917), wk = 0.0023419 k( 147) = ( 0.1216216 0.0914818 -0.0738825), wk = 0.0023419 k( 148) = ( 0.1081081 0.0813171 -0.0656734), wk = 0.0023419 k( 149) = ( 0.0945946 0.0711525 -0.0574642), wk = 0.0023419 k( 150) = ( 0.0810811 0.0609878 -0.0492550), wk = 0.0023419 k( 151) = ( 0.0675676 0.0508232 -0.0410458), wk = 0.0023419 k( 152) = ( 0.0540540 0.0406586 -0.0328367), wk = 0.0023419 k( 153) = ( 0.0405405 0.0304939 -0.0246275), wk = 0.0023419 k( 154) = ( 0.0270270 0.0203293 -0.0164183), wk = 0.0023419 k( 155) = ( 0.0135135 0.0101646 -0.0082092), wk = 0.0023419 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 158) = ( 0.0000000 0.0116921 0.0144772), wk = 0.0023419 k( 159) = ( 0.0000000 0.0233842 0.0289544), wk = 0.0023419 k( 160) = ( 0.0000000 0.0350763 0.0434316), wk = 0.0023419 k( 161) = ( 0.0000000 0.0467683 0.0579088), wk = 0.0023419 k( 162) = ( 0.0000000 0.0584604 0.0723860), wk = 0.0023419 k( 163) = ( 0.0000000 0.0701525 0.0868632), wk = 0.0023419 k( 164) = ( 0.0000000 0.0818446 0.1013404), wk = 0.0023419 k( 165) = ( 0.0000000 0.0935367 0.1158176), wk = 0.0023419 k( 166) = ( 0.0000000 0.1052288 0.1302948), wk = 0.0023419 k( 167) = ( 0.0000000 0.1169208 0.1447721), wk = 0.0023419 k( 168) = ( 0.0000000 0.1286129 0.1592493), wk = 0.0023419 k( 169) = ( 0.0000000 0.1403050 0.1737264), wk = 0.0023419 k( 170) = ( 0.0000000 0.1519971 0.1882036), wk = 0.0023419 k( 171) = ( 0.0000000 0.1636892 0.2026809), wk = 0.0023419 k( 172) = ( 0.0000000 0.1753812 0.2171581), wk = 0.0023419 k( 173) = ( 0.0000000 0.1870733 0.2316353), wk = 0.0023419 k( 174) = ( 0.0000000 0.1987654 0.2461125), wk = 0.0023419 k( 175) = ( 0.0000000 0.2104575 0.2605897), wk = 0.0023419 k( 176) = ( 0.0000000 0.2221496 0.2750669), wk = 0.0023419 k( 177) = ( 0.0000000 0.2338417 0.2895441), wk = 0.0023419 k( 178) = ( 0.0000000 0.2455338 0.3040213), wk = 0.0023419 k( 179) = ( 0.0000000 0.2572258 0.3184985), wk = 0.0023419 k( 180) = ( 0.0000000 0.2689179 0.3329757), wk = 0.0023419 k( 181) = ( 0.0000000 0.2806100 0.3474529), wk = 0.0023419 k( 182) = ( 0.0000000 0.2923021 0.3619301), wk = 0.0023419 k( 183) = ( 0.0000000 0.3039942 0.3764073), wk = 0.0023419 k( 184) = ( 0.0000000 0.3156863 0.3908845), wk = 0.0023419 k( 185) = ( 0.0000000 0.3273783 0.4053617), wk = 0.0023419 k( 186) = ( 0.0000000 0.3390704 0.4198389), wk = 0.0023419 k( 187) = ( 0.0000000 0.3507625 0.4343161), wk = 0.0023419 k( 188) = ( 0.0000000 0.3624546 0.4487933), wk = 0.0023419 k( 189) = ( 0.0000000 0.3741467 0.4632705), wk = 0.0023419 k( 190) = ( 0.0000000 0.3858388 0.4777478), wk = 0.0023419 k( 191) = ( 0.0000000 0.3975308 0.4922249), wk = 0.0023419 k( 192) = ( 0.0000000 0.4092229 0.5067021), wk = 0.0023419 k( 193) = ( 0.0000000 0.4209150 0.5211793), wk = 0.0023419 k( 194) = ( 0.0000000 0.4326071 0.5356566), wk = 0.0023419 k( 195) = ( 0.0000000 0.4442992 0.5501338), wk = 0.0023419 k( 196) = ( 0.0000000 0.4559913 0.5646110), wk = 0.0023419 k( 197) = ( 0.0000000 0.4676833 0.5790882), wk = 0.0023419 k( 198) = ( 0.0000000 0.4793754 0.5935654), wk = 0.0023419 k( 199) = ( 0.0000000 0.4910675 0.6080426), wk = 0.0023419 k( 200) = ( 0.0000000 0.5027596 0.6225198), wk = 0.0023419 k( 201) = ( 0.0000000 0.5144517 0.6369970), wk = 0.0023419 k( 202) = ( 0.0000000 0.5261438 0.6514742), wk = 0.0023419 k( 203) = ( 0.0000000 0.5378358 0.6659514), wk = 0.0023419 k( 204) = ( 0.0000000 0.5495279 0.6804286), wk = 0.0023419 k( 205) = ( 0.0000000 0.5612200 0.6949058), wk = 0.0023419 k( 206) = ( 0.0000000 0.5729121 0.7093830), wk = 0.0023419 k( 207) = ( 0.0000000 0.5846042 0.7238602), wk = 0.0023419 k( 208) = ( 0.0000000 0.5962963 0.7383374), wk = 0.0023419 k( 209) = ( 0.0000000 0.6079884 0.7528146), wk = 0.0023419 k( 210) = ( 0.0000000 0.6196804 0.7672918), wk = 0.0023419 k( 211) = ( 0.0000000 0.6313725 0.7817690), wk = 0.0023419 k( 212) = ( 0.0000000 0.6430646 0.7962462), wk = 0.0023419 k( 213) = ( 0.0000000 0.6430646 0.7962462), wk = 0.0023419 k( 214) = ( 0.0113636 0.6279571 0.7962462), wk = 0.0023419 k( 215) = ( 0.0227273 0.6128495 0.7962462), wk = 0.0023419 k( 216) = ( 0.0340909 0.5977420 0.7962462), wk = 0.0023419 k( 217) = ( 0.0454546 0.5826345 0.7962462), wk = 0.0023419 k( 218) = ( 0.0568182 0.5675269 0.7962462), wk = 0.0023419 k( 219) = ( 0.0681818 0.5524194 0.7962462), wk = 0.0023419 k( 220) = ( 0.0795455 0.5373119 0.7962462), wk = 0.0023419 k( 221) = ( 0.0909091 0.5222043 0.7962462), wk = 0.0023419 k( 222) = ( 0.1022727 0.5070968 0.7962462), wk = 0.0023419 k( 223) = ( 0.1136364 0.4919893 0.7962462), wk = 0.0023419 k( 224) = ( 0.1250000 0.4768817 0.7962462), wk = 0.0023419 k( 225) = ( 0.1363636 0.4617742 0.7962462), wk = 0.0023419 k( 226) = ( 0.1477273 0.4466666 0.7962462), wk = 0.0023419 k( 227) = ( 0.1590909 0.4315591 0.7962462), wk = 0.0023419 k( 228) = ( 0.1704546 0.4164516 0.7962462), wk = 0.0023419 k( 229) = ( 0.1818182 0.4013441 0.7962462), wk = 0.0023419 k( 230) = ( 0.1931818 0.3862365 0.7962462), wk = 0.0023419 k( 231) = ( 0.2045454 0.3711290 0.7962462), wk = 0.0023419 k( 232) = ( 0.2159091 0.3560214 0.7962462), wk = 0.0023419 k( 233) = ( 0.2272727 0.3409139 0.7962462), wk = 0.0023419 k( 234) = ( 0.2386364 0.3258064 0.7962462), wk = 0.0023419 k( 235) = ( 0.2500000 0.3106988 0.7962462), wk = 0.0023419 k( 236) = ( 0.2613636 0.2955913 0.7962462), wk = 0.0023419 k( 237) = ( 0.2727273 0.2804838 0.7962462), wk = 0.0023419 k( 238) = ( 0.2840909 0.2653762 0.7962462), wk = 0.0023419 k( 239) = ( 0.2954545 0.2502687 0.7962462), wk = 0.0023419 k( 240) = ( 0.3068182 0.2351612 0.7962462), wk = 0.0023419 k( 241) = ( 0.3181818 0.2200536 0.7962462), wk = 0.0023419 k( 242) = ( 0.3295455 0.2049461 0.7962462), wk = 0.0023419 k( 243) = ( 0.3409091 0.1898386 0.7962462), wk = 0.0023419 k( 244) = ( 0.3522727 0.1747310 0.7962462), wk = 0.0023419 k( 245) = ( 0.3636364 0.1596235 0.7962462), wk = 0.0023419 k( 246) = ( 0.3750000 0.1445160 0.7962462), wk = 0.0023419 k( 247) = ( 0.3863636 0.1294084 0.7962462), wk = 0.0023419 k( 248) = ( 0.3977273 0.1143009 0.7962462), wk = 0.0023419 k( 249) = ( 0.4090909 0.0991934 0.7962462), wk = 0.0023419 k( 250) = ( 0.4204545 0.0840858 0.7962462), wk = 0.0023419 k( 251) = ( 0.4318182 0.0689783 0.7962462), wk = 0.0023419 k( 252) = ( 0.4431818 0.0538708 0.7962462), wk = 0.0023419 k( 253) = ( 0.4545455 0.0387632 0.7962462), wk = 0.0023419 k( 254) = ( 0.4659091 0.0236557 0.7962462), wk = 0.0023419 k( 255) = ( 0.4772727 0.0085481 0.7962462), wk = 0.0023419 k( 256) = ( 0.4886364 -0.0065594 0.7962462), wk = 0.0023419 k( 257) = ( 0.5000000 -0.0216669 0.7962462), wk = 0.0023419 k( 258) = ( 0.5000000 -0.0216669 0.7962462), wk = 0.0023419 k( 259) = ( 0.5000000 -0.0332018 0.7819637), wk = 0.0023419 k( 260) = ( 0.5000000 -0.0447367 0.7676811), wk = 0.0023419 k( 261) = ( 0.5000000 -0.0562716 0.7533985), wk = 0.0023419 k( 262) = ( 0.5000000 -0.0678065 0.7391159), wk = 0.0023419 k( 263) = ( 0.5000000 -0.0793414 0.7248333), wk = 0.0023419 k( 264) = ( 0.5000000 -0.0908764 0.7105507), wk = 0.0023419 k( 265) = ( 0.5000000 -0.1024113 0.6962681), wk = 0.0023419 k( 266) = ( 0.5000000 -0.1139462 0.6819855), wk = 0.0023419 k( 267) = ( 0.5000000 -0.1254811 0.6677030), wk = 0.0023419 k( 268) = ( 0.5000000 -0.1370160 0.6534204), wk = 0.0023419 k( 269) = ( 0.5000000 -0.1485509 0.6391378), wk = 0.0023419 k( 270) = ( 0.5000000 -0.1600858 0.6248552), wk = 0.0023419 k( 271) = ( 0.5000000 -0.1716207 0.6105726), wk = 0.0023419 k( 272) = ( 0.5000000 -0.1831556 0.5962900), wk = 0.0023419 k( 273) = ( 0.5000000 -0.1946905 0.5820074), wk = 0.0023419 k( 274) = ( 0.5000000 -0.2062254 0.5677248), wk = 0.0023419 k( 275) = ( 0.5000000 -0.2177603 0.5534422), wk = 0.0023419 k( 276) = ( 0.5000000 -0.2292952 0.5391597), wk = 0.0023419 k( 277) = ( 0.5000000 -0.2408302 0.5248771), wk = 0.0023419 k( 278) = ( 0.5000000 -0.2523651 0.5105945), wk = 0.0023419 k( 279) = ( 0.5000000 -0.2639000 0.4963119), wk = 0.0023419 k( 280) = ( 0.5000000 -0.2754349 0.4820293), wk = 0.0023419 k( 281) = ( 0.5000000 -0.2869698 0.4677467), wk = 0.0023419 k( 282) = ( 0.5000000 -0.2985047 0.4534641), wk = 0.0023419 k( 283) = ( 0.5000000 -0.3100396 0.4391816), wk = 0.0023419 k( 284) = ( 0.5000000 -0.3215745 0.4248990), wk = 0.0023419 k( 285) = ( 0.5000000 -0.3331094 0.4106164), wk = 0.0023419 k( 286) = ( 0.5000000 -0.3446443 0.3963338), wk = 0.0023419 k( 287) = ( 0.5000000 -0.3561792 0.3820512), wk = 0.0023419 k( 288) = ( 0.5000000 -0.3677141 0.3677686), wk = 0.0023419 k( 289) = ( 0.5000000 -0.3792490 0.3534860), wk = 0.0023419 k( 290) = ( 0.5000000 -0.3907839 0.3392034), wk = 0.0023419 k( 291) = ( 0.5000000 -0.4023188 0.3249209), wk = 0.0023419 k( 292) = ( 1.0000000 -0.0262272 0.0211816), wk = 0.0023419 k( 293) = ( 1.0000000 -0.0149483 0.0351471), wk = 0.0023419 k( 294) = ( 1.0000000 -0.0036695 0.0491126), wk = 0.0023419 k( 295) = ( 1.0000000 0.0076093 0.0630781), wk = 0.0023419 k( 296) = ( 1.0000000 0.0188881 0.0770436), wk = 0.0023419 k( 297) = ( 1.0000000 0.0301670 0.0910091), wk = 0.0023419 k( 298) = ( 1.0000000 0.0414458 0.1049746), wk = 0.0023419 k( 299) = ( 1.0000000 0.0527246 0.1189401), wk = 0.0023419 k( 300) = ( 1.0000000 0.0640035 0.1329057), wk = 0.0023419 k( 301) = ( 1.0000000 0.0752823 0.1468712), wk = 0.0023419 k( 302) = ( 1.0000000 0.0865611 0.1608367), wk = 0.0023419 k( 303) = ( 1.0000000 0.0978399 0.1748022), wk = 0.0023419 k( 304) = ( 1.0000000 0.1091188 0.1887677), wk = 0.0023419 k( 305) = ( 0.0000000 0.6430646 0.7962462), wk = 0.0023419 k( 306) = ( 0.0116279 0.6461061 0.7821188), wk = 0.0023419 k( 307) = ( 0.0232558 0.6491477 0.7679914), wk = 0.0023419 k( 308) = ( 0.0348837 0.6521892 0.7538640), wk = 0.0023419 k( 309) = ( 0.0465116 0.6552307 0.7397366), wk = 0.0023419 k( 310) = ( 0.0581395 0.6582722 0.7256092), wk = 0.0023419 k( 311) = ( 0.0697674 0.6613138 0.7114818), wk = 0.0023419 k( 312) = ( 0.0813954 0.6643553 0.6973544), wk = 0.0023419 k( 313) = ( 0.0930233 0.6673968 0.6832270), wk = 0.0023419 k( 314) = ( 0.1046512 0.6704384 0.6690996), wk = 0.0023419 k( 315) = ( 0.1162791 0.6734799 0.6549722), wk = 0.0023419 k( 316) = ( 0.1279070 0.6765214 0.6408447), wk = 0.0023419 k( 317) = ( 0.1395349 0.6795629 0.6267173), wk = 0.0023419 k( 318) = ( 0.1511628 0.6826045 0.6125899), wk = 0.0023419 k( 319) = ( 0.1627907 0.6856460 0.5984625), wk = 0.0023419 k( 320) = ( 0.1744186 0.6886875 0.5843351), wk = 0.0023419 k( 321) = ( 0.1860465 0.6917290 0.5702077), wk = 0.0023419 k( 322) = ( 0.1976744 0.6947706 0.5560803), wk = 0.0023419 k( 323) = ( 0.2093023 0.6978121 0.5419529), wk = 0.0023419 k( 324) = ( 0.2209302 0.7008536 0.5278255), wk = 0.0023419 k( 325) = ( 0.2325581 0.7038952 0.5136981), wk = 0.0023419 k( 326) = ( 0.2441860 0.7069367 0.4995707), wk = 0.0023419 k( 327) = ( 0.2558140 0.7099782 0.4854433), wk = 0.0023419 k( 328) = ( 0.2674419 0.7130197 0.4713159), wk = 0.0023419 k( 329) = ( 0.2790698 0.7160613 0.4571884), wk = 0.0023419 k( 330) = ( 0.2906977 0.7191028 0.4430610), wk = 0.0023419 k( 331) = ( 0.3023256 0.7221443 0.4289336), wk = 0.0023419 k( 332) = ( 0.3139535 0.7251859 0.4148062), wk = 0.0023419 k( 333) = ( 0.3255814 0.7282274 0.4006788), wk = 0.0023419 k( 334) = ( 0.3372093 0.7312689 0.3865514), wk = 0.0023419 k( 335) = ( 0.3488372 0.7343104 0.3724240), wk = 0.0023419 k( 336) = ( 0.3604651 0.7373520 0.3582966), wk = 0.0023419 k( 337) = ( 0.3720930 0.7403935 0.3441692), wk = 0.0023419 k( 338) = ( 0.3837209 0.7434350 0.3300418), wk = 0.0023419 k( 339) = ( 0.3953488 0.7464765 0.3159144), wk = 0.0023419 k( 340) = ( 0.4069767 0.7495181 0.3017870), wk = 0.0023419 k( 341) = ( 0.4186047 0.7525596 0.2876595), wk = 0.0023419 k( 342) = ( 0.4302326 0.7556011 0.2735321), wk = 0.0023419 k( 343) = ( 0.4418605 0.7586427 0.2594047), wk = 0.0023419 k( 344) = ( 0.4534884 0.7616842 0.2452773), wk = 0.0023419 k( 345) = ( 0.4651163 0.7647257 0.2311499), wk = 0.0023419 k( 346) = ( 0.4767442 0.7677672 0.2170225), wk = 0.0023419 k( 347) = ( 0.4883721 0.7708088 0.2028951), wk = 0.0023419 k( 348) = ( 0.5000000 0.7738503 0.1887677), wk = 0.0023419 k( 349) = ( 0.5000000 0.7738503 0.1887677), wk = 0.0023419 k( 350) = ( 0.5000000 0.7621515 0.1742822), wk = 0.0023419 k( 351) = ( 0.5000000 0.7504527 0.1597967), wk = 0.0023419 k( 352) = ( 0.5000000 0.7387540 0.1453112), wk = 0.0023419 k( 353) = ( 0.5000000 0.7270552 0.1308257), wk = 0.0023419 k( 354) = ( 0.5000000 0.7153564 0.1163402), wk = 0.0023419 k( 355) = ( 0.5000000 0.7036576 0.1018547), wk = 0.0023419 k( 356) = ( 0.5000000 0.6919588 0.0873692), wk = 0.0023419 k( 357) = ( 0.5000000 0.6802600 0.0728837), wk = 0.0023419 k( 358) = ( 0.5000000 0.6685613 0.0583982), wk = 0.0023419 k( 359) = ( 0.5000000 0.6568625 0.0439127), wk = 0.0023419 k( 360) = ( 0.5000000 0.6451637 0.0294272), wk = 0.0023419 k( 361) = ( 0.5000000 0.6334649 0.0149417), wk = 0.0023419 k( 362) = ( 0.5000000 0.6217661 0.0004562), wk = 0.0023419 k( 363) = ( 0.5000000 0.6100673 -0.0140293), wk = 0.0023419 k( 364) = ( 0.5000000 0.5983686 -0.0285148), wk = 0.0023419 k( 365) = ( 0.5000000 0.5866698 -0.0430003), wk = 0.0023419 k( 366) = ( 0.5000000 0.5749710 -0.0574858), wk = 0.0023419 k( 367) = ( 0.5000000 0.5632722 -0.0719713), wk = 0.0023419 k( 368) = ( 0.5000000 0.5515734 -0.0864568), wk = 0.0023419 k( 369) = ( 0.5000000 0.5398746 -0.1009423), wk = 0.0023419 k( 370) = ( 0.5000000 0.5281759 -0.1154278), wk = 0.0023419 k( 371) = ( 0.5000000 0.5164771 -0.1299133), wk = 0.0023419 k( 372) = ( 0.5000000 0.5047783 -0.1443988), wk = 0.0023419 k( 373) = ( 0.5000000 0.4930795 -0.1588843), wk = 0.0023419 k( 374) = ( 0.5000000 0.4813807 -0.1733698), wk = 0.0023419 k( 375) = ( 0.5000000 0.4696820 -0.1878553), wk = 0.0023419 k( 376) = ( 0.5000000 0.4579832 -0.2023408), wk = 0.0023419 k( 377) = ( 0.5000000 0.4462844 -0.2168263), wk = 0.0023419 k( 378) = ( 0.5000000 0.4345856 -0.2313118), wk = 0.0023419 k( 379) = ( 0.5000000 0.4228868 -0.2457973), wk = 0.0023419 k( 380) = ( 0.5000000 0.4111880 -0.2602828), wk = 0.0023419 k( 381) = ( 0.5000000 0.3994892 -0.2747683), wk = 0.0023419 k( 382) = ( 0.5000000 0.3877905 -0.2892538), wk = 0.0023419 k( 383) = ( 0.5000000 0.3760917 -0.3037393), wk = 0.0023419 k( 384) = ( 0.5000000 0.3760917 0.4925070), wk = 0.0023419 k( 385) = ( 0.4883721 0.3673454 0.4810533), wk = 0.0023419 k( 386) = ( 0.4767442 0.3585991 0.4695997), wk = 0.0023419 k( 387) = ( 0.4651163 0.3498527 0.4581460), wk = 0.0023419 k( 388) = ( 0.4534884 0.3411064 0.4466924), wk = 0.0023419 k( 389) = ( 0.4418605 0.3323601 0.4352387), wk = 0.0023419 k( 390) = ( 0.4302326 0.3236138 0.4237851), wk = 0.0023419 k( 391) = ( 0.4186047 0.3148675 0.4123314), wk = 0.0023419 k( 392) = ( 0.4069767 0.3061211 0.4008778), wk = 0.0023419 k( 393) = ( 0.3953488 0.2973748 0.3894241), wk = 0.0023419 k( 394) = ( 0.3837209 0.2886285 0.3779705), wk = 0.0023419 k( 395) = ( 0.3720930 0.2798822 0.3665168), wk = 0.0023419 k( 396) = ( 0.3604651 0.2711359 0.3550632), wk = 0.0023419 k( 397) = ( 0.3488372 0.2623896 0.3436095), wk = 0.0023419 k( 398) = ( 0.3372093 0.2536432 0.3321559), wk = 0.0023419 k( 399) = ( 0.3255814 0.2448969 0.3207022), wk = 0.0023419 k( 400) = ( 0.3139535 0.2361506 0.3092486), wk = 0.0023419 k( 401) = ( 0.3023256 0.2274043 0.2977949), wk = 0.0023419 k( 402) = ( 0.2906977 0.2186580 0.2863413), wk = 0.0023419 k( 403) = ( 0.2790698 0.2099116 0.2748876), wk = 0.0023419 k( 404) = ( 0.2674419 0.2011653 0.2634340), wk = 0.0023419 k( 405) = ( 0.2558140 0.1924190 0.2519803), wk = 0.0023419 k( 406) = ( 0.2441860 0.1836727 0.2405267), wk = 0.0023419 k( 407) = ( 0.2325581 0.1749264 0.2290730), wk = 0.0023419 k( 408) = ( 0.2209302 0.1661800 0.2176194), wk = 0.0023419 k( 409) = ( 0.2093023 0.1574337 0.2061657), wk = 0.0023419 k( 410) = ( 0.1976744 0.1486874 0.1947121), wk = 0.0023419 k( 411) = ( 0.1860465 0.1399411 0.1832584), wk = 0.0023419 k( 412) = ( 0.1744186 0.1311948 0.1718048), wk = 0.0023419 k( 413) = ( 0.1627907 0.1224485 0.1603511), wk = 0.0023419 k( 414) = ( 0.1511628 0.1137021 0.1488975), wk = 0.0023419 k( 415) = ( 0.1395349 0.1049558 0.1374438), wk = 0.0023419 k( 416) = ( 0.1279070 0.0962095 0.1259902), wk = 0.0023419 k( 417) = ( 0.1162791 0.0874632 0.1145365), wk = 0.0023419 k( 418) = ( 0.1046512 0.0787169 0.1030829), wk = 0.0023419 k( 419) = ( 0.0930233 0.0699706 0.0916292), wk = 0.0023419 k( 420) = ( 0.0813954 0.0612242 0.0801756), wk = 0.0023419 k( 421) = ( 0.0697674 0.0524779 0.0687219), wk = 0.0023419 k( 422) = ( 0.0581395 0.0437316 0.0572682), wk = 0.0023419 k( 423) = ( 0.0465116 0.0349853 0.0458146), wk = 0.0023419 k( 424) = ( 0.0348837 0.0262390 0.0343610), wk = 0.0023419 k( 425) = ( 0.0232558 0.0174926 0.0229073), wk = 0.0023419 k( 426) = ( 0.0116279 0.0087463 0.0114537), wk = 0.0023419 k( 427) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 2) = ( 0.0128205 0.0000000 0.0128205), wk = 0.0023419 k( 3) = ( 0.0256410 0.0000000 0.0256410), wk = 0.0023419 k( 4) = ( 0.0384615 0.0000000 0.0384615), wk = 0.0023419 k( 5) = ( 0.0512821 0.0000000 0.0512821), wk = 0.0023419 k( 6) = ( 0.0641026 0.0000000 0.0641026), wk = 0.0023419 k( 7) = ( 0.0769231 0.0000000 0.0769231), wk = 0.0023419 k( 8) = ( 0.0897436 0.0000000 0.0897436), wk = 0.0023419 k( 9) = ( 0.1025641 0.0000000 0.1025641), wk = 0.0023419 k( 10) = ( 0.1153846 0.0000000 0.1153846), wk = 0.0023419 k( 11) = ( 0.1282051 0.0000000 0.1282051), wk = 0.0023419 k( 12) = ( 0.1410256 0.0000000 0.1410256), wk = 0.0023419 k( 13) = ( 0.1538461 0.0000000 0.1538461), wk = 0.0023419 k( 14) = ( 0.1666667 0.0000000 0.1666667), wk = 0.0023419 k( 15) = ( 0.1794872 0.0000000 0.1794872), wk = 0.0023419 k( 16) = ( 0.1923077 0.0000000 0.1923077), wk = 0.0023419 k( 17) = ( 0.2051282 0.0000000 0.2051282), wk = 0.0023419 k( 18) = ( 0.2179487 0.0000000 0.2179487), wk = 0.0023419 k( 19) = ( 0.2307692 0.0000000 0.2307692), wk = 0.0023419 k( 20) = ( 0.2435897 0.0000000 0.2435897), wk = 0.0023419 k( 21) = ( 0.2564103 0.0000000 0.2564103), wk = 0.0023419 k( 22) = ( 0.2692308 0.0000000 0.2692308), wk = 0.0023419 k( 23) = ( 0.2820513 0.0000000 0.2820513), wk = 0.0023419 k( 24) = ( 0.2948718 0.0000000 0.2948718), wk = 0.0023419 k( 25) = ( 0.3076923 0.0000000 0.3076923), wk = 0.0023419 k( 26) = ( 0.3205128 0.0000000 0.3205128), wk = 0.0023419 k( 27) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0023419 k( 28) = ( 0.3461538 0.0000000 0.3461538), wk = 0.0023419 k( 29) = ( 0.3589744 0.0000000 0.3589744), wk = 0.0023419 k( 30) = ( 0.3717949 0.0000000 0.3717949), wk = 0.0023419 k( 31) = ( 0.3846154 0.0000000 0.3846154), wk = 0.0023419 k( 32) = ( 0.3974359 0.0000000 0.3974359), wk = 0.0023419 k( 33) = ( 0.4102564 0.0000000 0.4102564), wk = 0.0023419 k( 34) = ( 0.4230769 0.0000000 0.4230769), wk = 0.0023419 k( 35) = ( 0.4358974 0.0000000 0.4358974), wk = 0.0023419 k( 36) = ( 0.4487179 0.0000000 0.4487180), wk = 0.0023419 k( 37) = ( 0.4615385 0.0000000 0.4615385), wk = 0.0023419 k( 38) = ( 0.4743590 -0.0000000 0.4743590), wk = 0.0023419 k( 39) = ( 0.4871795 0.0000000 0.4871795), wk = 0.0023419 k( 40) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023419 k( 41) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023419 k( 42) = ( 0.5135135 0.0135135 0.5000000), wk = 0.0023419 k( 43) = ( 0.5270270 0.0270270 0.5000000), wk = 0.0023419 k( 44) = ( 0.5405405 0.0405405 0.5000000), wk = 0.0023419 k( 45) = ( 0.5540540 0.0540541 0.5000000), wk = 0.0023419 k( 46) = ( 0.5675676 0.0675676 0.5000000), wk = 0.0023419 k( 47) = ( 0.5810811 0.0810811 0.5000000), wk = 0.0023419 k( 48) = ( 0.5945946 0.0945946 0.5000000), wk = 0.0023419 k( 49) = ( 0.6081081 0.1081081 0.5000000), wk = 0.0023419 k( 50) = ( 0.6216216 0.1216216 0.5000000), wk = 0.0023419 k( 51) = ( 0.6351351 0.1351351 0.5000000), wk = 0.0023419 k( 52) = ( 0.6486487 0.1486487 0.5000000), wk = 0.0023419 k( 53) = ( 0.6621622 0.1621622 0.5000000), wk = 0.0023419 k( 54) = ( 0.6756757 0.1756757 0.5000000), wk = 0.0023419 k( 55) = ( 0.6891892 0.1891892 0.5000000), wk = 0.0023419 k( 56) = ( 0.7027027 0.2027027 0.5000000), wk = 0.0023419 k( 57) = ( 0.7162162 0.2162162 0.5000000), wk = 0.0023419 k( 58) = ( 0.7297297 0.2297297 0.5000000), wk = 0.0023419 k( 59) = ( 0.7432432 0.2432432 0.5000000), wk = 0.0023419 k( 60) = ( 0.7567568 0.2567568 0.5000000), wk = 0.0023419 k( 61) = ( 0.7702703 0.2702703 0.5000000), wk = 0.0023419 k( 62) = ( 0.7837838 0.2837838 0.5000000), wk = 0.0023419 k( 63) = ( 0.7972973 0.2972973 0.5000000), wk = 0.0023419 k( 64) = ( 0.8108108 0.3108108 0.5000000), wk = 0.0023419 k( 65) = ( 0.8243243 0.3243243 0.5000000), wk = 0.0023419 k( 66) = ( 0.8378378 0.3378378 0.5000000), wk = 0.0023419 k( 67) = ( 0.8513513 0.3513514 0.5000000), wk = 0.0023419 k( 68) = ( 0.8648649 0.3648649 0.5000000), wk = 0.0023419 k( 69) = ( 0.8783784 0.3783784 0.5000000), wk = 0.0023419 k( 70) = ( 0.8918919 0.3918919 0.5000000), wk = 0.0023419 k( 71) = ( 0.9054054 0.4054054 0.5000000), wk = 0.0023419 k( 72) = ( 0.9189189 0.4189189 0.5000000), wk = 0.0023419 k( 73) = ( 0.9324324 0.4324324 0.5000000), wk = 0.0023419 k( 74) = ( 0.9459460 0.4459460 0.5000000), wk = 0.0023419 k( 75) = ( 0.9594595 0.4594595 0.5000000), wk = 0.0023419 k( 76) = ( 0.9729730 0.4729730 0.5000000), wk = 0.0023419 k( 77) = ( 0.9864865 0.4864865 0.5000000), wk = 0.0023419 k( 78) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0023419 k( 79) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0023419 k( 80) = ( 0.9871795 0.5000000 0.4871795), wk = 0.0023419 k( 81) = ( 0.9743590 0.5000000 0.4743590), wk = 0.0023419 k( 82) = ( 0.9615385 0.5000000 0.4615385), wk = 0.0023419 k( 83) = ( 0.9487180 0.5000000 0.4487180), wk = 0.0023419 k( 84) = ( 0.9358974 0.5000000 0.4358974), wk = 0.0023419 k( 85) = ( 0.9230769 0.5000000 0.4230769), wk = 0.0023419 k( 86) = ( 0.9102564 0.5000000 0.4102564), wk = 0.0023419 k( 87) = ( 0.8974359 0.5000000 0.3974359), wk = 0.0023419 k( 88) = ( 0.8846154 0.5000000 0.3846154), wk = 0.0023419 k( 89) = ( 0.8717949 0.5000000 0.3717949), wk = 0.0023419 k( 90) = ( 0.8589744 0.5000000 0.3589744), wk = 0.0023419 k( 91) = ( 0.8461538 0.5000000 0.3461539), wk = 0.0023419 k( 92) = ( 0.8333333 0.5000000 0.3333333), wk = 0.0023419 k( 93) = ( 0.8205128 0.5000000 0.3205128), wk = 0.0023419 k( 94) = ( 0.8076923 0.5000000 0.3076923), wk = 0.0023419 k( 95) = ( 0.7948718 0.5000000 0.2948718), wk = 0.0023419 k( 96) = ( 0.7820513 0.5000000 0.2820513), wk = 0.0023419 k( 97) = ( 0.7692308 0.5000000 0.2692308), wk = 0.0023419 k( 98) = ( 0.7564103 0.5000000 0.2564103), wk = 0.0023419 k( 99) = ( 0.7435897 0.5000000 0.2435897), wk = 0.0023419 k( 100) = ( 0.7307692 0.5000000 0.2307692), wk = 0.0023419 k( 101) = ( 0.7179487 0.5000000 0.2179487), wk = 0.0023419 k( 102) = ( 0.7051282 0.5000000 0.2051282), wk = 0.0023419 k( 103) = ( 0.6923077 0.5000000 0.1923077), wk = 0.0023419 k( 104) = ( 0.6794872 0.5000000 0.1794872), wk = 0.0023419 k( 105) = ( 0.6666667 0.5000000 0.1666667), wk = 0.0023419 k( 106) = ( 0.6538462 0.5000000 0.1538461), wk = 0.0023419 k( 107) = ( 0.6410256 0.5000000 0.1410256), wk = 0.0023419 k( 108) = ( 0.6282051 0.5000000 0.1282051), wk = 0.0023419 k( 109) = ( 0.6153846 0.5000000 0.1153846), wk = 0.0023419 k( 110) = ( 0.6025641 0.5000000 0.1025641), wk = 0.0023419 k( 111) = ( 0.5897436 0.5000000 0.0897436), wk = 0.0023419 k( 112) = ( 0.5769231 0.5000000 0.0769231), wk = 0.0023419 k( 113) = ( 0.5641026 0.5000000 0.0641026), wk = 0.0023419 k( 114) = ( 0.5512820 0.5000000 0.0512820), wk = 0.0023419 k( 115) = ( 0.5384615 0.5000000 0.0384615), wk = 0.0023419 k( 116) = ( 0.5256410 0.5000000 0.0256410), wk = 0.0023419 k( 117) = ( 0.5128205 0.5000000 0.0128205), wk = 0.0023419 k( 118) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023419 k( 119) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023419 k( 120) = ( 0.4864865 0.4864865 0.0000000), wk = 0.0023419 k( 121) = ( 0.4729730 0.4729730 0.0000000), wk = 0.0023419 k( 122) = ( 0.4594595 0.4594595 0.0000000), wk = 0.0023419 k( 123) = ( 0.4459459 0.4459460 0.0000000), wk = 0.0023419 k( 124) = ( 0.4324324 0.4324324 0.0000000), wk = 0.0023419 k( 125) = ( 0.4189189 0.4189189 -0.0000000), wk = 0.0023419 k( 126) = ( 0.4054054 0.4054054 0.0000000), wk = 0.0023419 k( 127) = ( 0.3918919 0.3918919 0.0000000), wk = 0.0023419 k( 128) = ( 0.3783784 0.3783784 0.0000000), wk = 0.0023419 k( 129) = ( 0.3648649 0.3648649 0.0000000), wk = 0.0023419 k( 130) = ( 0.3513514 0.3513514 0.0000000), wk = 0.0023419 k( 131) = ( 0.3378378 0.3378378 0.0000000), wk = 0.0023419 k( 132) = ( 0.3243243 0.3243243 0.0000000), wk = 0.0023419 k( 133) = ( 0.3108108 0.3108108 -0.0000000), wk = 0.0023419 k( 134) = ( 0.2972973 0.2972973 0.0000000), wk = 0.0023419 k( 135) = ( 0.2837838 0.2837838 0.0000000), wk = 0.0023419 k( 136) = ( 0.2702703 0.2702703 0.0000000), wk = 0.0023419 k( 137) = ( 0.2567568 0.2567568 0.0000000), wk = 0.0023419 k( 138) = ( 0.2432432 0.2432432 0.0000000), wk = 0.0023419 k( 139) = ( 0.2297297 0.2297297 0.0000000), wk = 0.0023419 k( 140) = ( 0.2162162 0.2162162 0.0000000), wk = 0.0023419 k( 141) = ( 0.2027027 0.2027027 0.0000000), wk = 0.0023419 k( 142) = ( 0.1891892 0.1891892 0.0000000), wk = 0.0023419 k( 143) = ( 0.1756757 0.1756757 0.0000000), wk = 0.0023419 k( 144) = ( 0.1621622 0.1621622 0.0000000), wk = 0.0023419 k( 145) = ( 0.1486486 0.1486486 0.0000000), wk = 0.0023419 k( 146) = ( 0.1351351 0.1351351 0.0000000), wk = 0.0023419 k( 147) = ( 0.1216216 0.1216216 0.0000000), wk = 0.0023419 k( 148) = ( 0.1081081 0.1081081 0.0000000), wk = 0.0023419 k( 149) = ( 0.0945946 0.0945946 -0.0000000), wk = 0.0023419 k( 150) = ( 0.0810811 0.0810811 0.0000000), wk = 0.0023419 k( 151) = ( 0.0675676 0.0675676 0.0000000), wk = 0.0023419 k( 152) = ( 0.0540540 0.0540541 0.0000000), wk = 0.0023419 k( 153) = ( 0.0405405 0.0405405 0.0000000), wk = 0.0023419 k( 154) = ( 0.0270270 0.0270270 0.0000000), wk = 0.0023419 k( 155) = ( 0.0135135 0.0135135 0.0000000), wk = 0.0023419 k( 156) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 157) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 k( 158) = ( 0.0000000 0.0075102 0.0075102), wk = 0.0023419 k( 159) = ( 0.0000000 0.0150205 0.0150205), wk = 0.0023419 k( 160) = ( 0.0000000 0.0225307 0.0225307), wk = 0.0023419 k( 161) = ( 0.0000000 0.0300409 0.0300409), wk = 0.0023419 k( 162) = ( 0.0000000 0.0375511 0.0375511), wk = 0.0023419 k( 163) = ( 0.0000000 0.0450614 0.0450614), wk = 0.0023419 k( 164) = ( 0.0000000 0.0525716 0.0525716), wk = 0.0023419 k( 165) = ( 0.0000000 0.0600818 0.0600818), wk = 0.0023419 k( 166) = ( 0.0000000 0.0675921 0.0675921), wk = 0.0023419 k( 167) = ( 0.0000000 0.0751023 0.0751023), wk = 0.0023419 k( 168) = ( 0.0000000 0.0826125 0.0826125), wk = 0.0023419 k( 169) = ( 0.0000000 0.0901228 0.0901228), wk = 0.0023419 k( 170) = ( 0.0000000 0.0976330 0.0976330), wk = 0.0023419 k( 171) = ( 0.0000000 0.1051432 0.1051432), wk = 0.0023419 k( 172) = ( 0.0000000 0.1126534 0.1126534), wk = 0.0023419 k( 173) = ( 0.0000000 0.1201637 0.1201637), wk = 0.0023419 k( 174) = ( 0.0000000 0.1276739 0.1276739), wk = 0.0023419 k( 175) = ( 0.0000000 0.1351841 0.1351841), wk = 0.0023419 k( 176) = ( 0.0000000 0.1426944 0.1426944), wk = 0.0023419 k( 177) = ( 0.0000000 0.1502046 0.1502046), wk = 0.0023419 k( 178) = ( 0.0000000 0.1577148 0.1577148), wk = 0.0023419 k( 179) = ( 0.0000000 0.1652251 0.1652251), wk = 0.0023419 k( 180) = ( 0.0000000 0.1727353 0.1727353), wk = 0.0023419 k( 181) = ( 0.0000000 0.1802455 0.1802455), wk = 0.0023419 k( 182) = ( 0.0000000 0.1877557 0.1877557), wk = 0.0023419 k( 183) = ( 0.0000000 0.1952660 0.1952660), wk = 0.0023419 k( 184) = ( 0.0000000 0.2027762 0.2027762), wk = 0.0023419 k( 185) = ( 0.0000000 0.2102864 0.2102864), wk = 0.0023419 k( 186) = ( 0.0000000 0.2177967 0.2177967), wk = 0.0023419 k( 187) = ( 0.0000000 0.2253069 0.2253069), wk = 0.0023419 k( 188) = ( 0.0000000 0.2328171 0.2328171), wk = 0.0023419 k( 189) = ( 0.0000000 0.2403273 0.2403273), wk = 0.0023419 k( 190) = ( 0.0000000 0.2478376 0.2478376), wk = 0.0023419 k( 191) = ( 0.0000000 0.2553478 0.2553478), wk = 0.0023419 k( 192) = ( 0.0000000 0.2628580 0.2628580), wk = 0.0023419 k( 193) = ( 0.0000000 0.2703683 0.2703683), wk = 0.0023419 k( 194) = ( 0.0000000 0.2778785 0.2778785), wk = 0.0023419 k( 195) = ( 0.0000000 0.2853887 0.2853887), wk = 0.0023419 k( 196) = ( 0.0000000 0.2928989 0.2928989), wk = 0.0023419 k( 197) = ( 0.0000000 0.3004092 0.3004092), wk = 0.0023419 k( 198) = ( 0.0000000 0.3079194 0.3079194), wk = 0.0023419 k( 199) = ( 0.0000000 0.3154296 0.3154296), wk = 0.0023419 k( 200) = ( 0.0000000 0.3229399 0.3229399), wk = 0.0023419 k( 201) = ( 0.0000000 0.3304501 0.3304501), wk = 0.0023419 k( 202) = ( 0.0000000 0.3379603 0.3379603), wk = 0.0023419 k( 203) = ( 0.0000000 0.3454706 0.3454706), wk = 0.0023419 k( 204) = ( 0.0000000 0.3529808 0.3529808), wk = 0.0023419 k( 205) = ( 0.0000000 0.3604910 0.3604910), wk = 0.0023419 k( 206) = ( 0.0000000 0.3680013 0.3680013), wk = 0.0023419 k( 207) = ( 0.0000000 0.3755115 0.3755115), wk = 0.0023419 k( 208) = ( 0.0000000 0.3830217 0.3830217), wk = 0.0023419 k( 209) = ( 0.0000000 0.3905319 0.3905319), wk = 0.0023419 k( 210) = ( 0.0000000 0.3980422 0.3980422), wk = 0.0023419 k( 211) = ( 0.0000000 0.4055524 0.4055524), wk = 0.0023419 k( 212) = ( 0.0000000 0.4130626 0.4130626), wk = 0.0023419 k( 213) = ( 0.0000000 0.4130626 0.4130626), wk = 0.0023419 k( 214) = ( 0.0113636 0.4092318 0.4205954), wk = 0.0023419 k( 215) = ( 0.0227273 0.4054010 0.4281282), wk = 0.0023419 k( 216) = ( 0.0340909 0.4015701 0.4356610), wk = 0.0023419 k( 217) = ( 0.0454546 0.3977393 0.4431938), wk = 0.0023419 k( 218) = ( 0.0568182 0.3939085 0.4507266), wk = 0.0023419 k( 219) = ( 0.0681818 0.3900776 0.4582594), wk = 0.0023419 k( 220) = ( 0.0795455 0.3862468 0.4657922), wk = 0.0023419 k( 221) = ( 0.0909091 0.3824160 0.4733250), wk = 0.0023419 k( 222) = ( 0.1022727 0.3785851 0.4808578), wk = 0.0023419 k( 223) = ( 0.1136364 0.3747543 0.4883906), wk = 0.0023419 k( 224) = ( 0.1250000 0.3709234 0.4959234), wk = 0.0023419 k( 225) = ( 0.1363636 0.3670926 0.5034562), wk = 0.0023419 k( 226) = ( 0.1477273 0.3632618 0.5109891), wk = 0.0023419 k( 227) = ( 0.1590909 0.3594309 0.5185218), wk = 0.0023419 k( 228) = ( 0.1704546 0.3556001 0.5260546), wk = 0.0023419 k( 229) = ( 0.1818182 0.3517693 0.5335875), wk = 0.0023419 k( 230) = ( 0.1931818 0.3479384 0.5411202), wk = 0.0023419 k( 231) = ( 0.2045454 0.3441076 0.5486530), wk = 0.0023419 k( 232) = ( 0.2159091 0.3402768 0.5561859), wk = 0.0023419 k( 233) = ( 0.2272727 0.3364459 0.5637187), wk = 0.0023419 k( 234) = ( 0.2386364 0.3326151 0.5712515), wk = 0.0023419 k( 235) = ( 0.2500000 0.3287843 0.5787843), wk = 0.0023419 k( 236) = ( 0.2613636 0.3249534 0.5863171), wk = 0.0023419 k( 237) = ( 0.2727273 0.3211226 0.5938499), wk = 0.0023419 k( 238) = ( 0.2840909 0.3172918 0.6013827), wk = 0.0023419 k( 239) = ( 0.2954545 0.3134609 0.6089155), wk = 0.0023419 k( 240) = ( 0.3068182 0.3096301 0.6164483), wk = 0.0023419 k( 241) = ( 0.3181818 0.3057993 0.6239811), wk = 0.0023419 k( 242) = ( 0.3295455 0.3019684 0.6315139), wk = 0.0023419 k( 243) = ( 0.3409091 0.2981376 0.6390467), wk = 0.0023419 k( 244) = ( 0.3522727 0.2943068 0.6465795), wk = 0.0023419 k( 245) = ( 0.3636364 0.2904759 0.6541123), wk = 0.0023419 k( 246) = ( 0.3750000 0.2866451 0.6616451), wk = 0.0023419 k( 247) = ( 0.3863636 0.2828142 0.6691779), wk = 0.0023419 k( 248) = ( 0.3977273 0.2789834 0.6767107), wk = 0.0023419 k( 249) = ( 0.4090909 0.2751526 0.6842435), wk = 0.0023419 k( 250) = ( 0.4204545 0.2713217 0.6917763), wk = 0.0023419 k( 251) = ( 0.4318182 0.2674909 0.6993091), wk = 0.0023419 k( 252) = ( 0.4431818 0.2636601 0.7068419), wk = 0.0023419 k( 253) = ( 0.4545455 0.2598292 0.7143747), wk = 0.0023419 k( 254) = ( 0.4659091 0.2559984 0.7219075), wk = 0.0023419 k( 255) = ( 0.4772727 0.2521676 0.7294403), wk = 0.0023419 k( 256) = ( 0.4886364 0.2483367 0.7369731), wk = 0.0023419 k( 257) = ( 0.5000000 0.2445059 0.7445059), wk = 0.0023419 k( 258) = ( 0.5000000 0.2445059 0.7445059), wk = 0.0023419 k( 259) = ( 0.5000000 0.2370966 0.7370966), wk = 0.0023419 k( 260) = ( 0.5000000 0.2296874 0.7296874), wk = 0.0023419 k( 261) = ( 0.5000000 0.2222781 0.7222781), wk = 0.0023419 k( 262) = ( 0.5000000 0.2148688 0.7148688), wk = 0.0023419 k( 263) = ( 0.5000000 0.2074596 0.7074596), wk = 0.0023419 k( 264) = ( 0.5000000 0.2000503 0.7000503), wk = 0.0023419 k( 265) = ( 0.5000000 0.1926410 0.6926410), wk = 0.0023419 k( 266) = ( 0.5000000 0.1852317 0.6852317), wk = 0.0023419 k( 267) = ( 0.5000000 0.1778225 0.6778225), wk = 0.0023419 k( 268) = ( 0.5000000 0.1704132 0.6704132), wk = 0.0023419 k( 269) = ( 0.5000000 0.1630039 0.6630039), wk = 0.0023419 k( 270) = ( 0.5000000 0.1555947 0.6555947), wk = 0.0023419 k( 271) = ( 0.5000000 0.1481854 0.6481854), wk = 0.0023419 k( 272) = ( 0.5000000 0.1407761 0.6407761), wk = 0.0023419 k( 273) = ( 0.5000000 0.1333669 0.6333669), wk = 0.0023419 k( 274) = ( 0.5000000 0.1259576 0.6259576), wk = 0.0023419 k( 275) = ( 0.5000000 0.1185483 0.6185483), wk = 0.0023419 k( 276) = ( 0.5000000 0.1111390 0.6111390), wk = 0.0023419 k( 277) = ( 0.5000000 0.1037298 0.6037298), wk = 0.0023419 k( 278) = ( 0.5000000 0.0963205 0.5963205), wk = 0.0023419 k( 279) = ( 0.5000000 0.0889112 0.5889112), wk = 0.0023419 k( 280) = ( 0.5000000 0.0815020 0.5815020), wk = 0.0023419 k( 281) = ( 0.5000000 0.0740927 0.5740927), wk = 0.0023419 k( 282) = ( 0.5000000 0.0666834 0.5666834), wk = 0.0023419 k( 283) = ( 0.5000000 0.0592742 0.5592742), wk = 0.0023419 k( 284) = ( 0.5000000 0.0518649 0.5518649), wk = 0.0023419 k( 285) = ( 0.5000000 0.0444556 0.5444556), wk = 0.0023419 k( 286) = ( 0.5000000 0.0370464 0.5370464), wk = 0.0023419 k( 287) = ( 0.5000000 0.0296371 0.5296371), wk = 0.0023419 k( 288) = ( 0.5000000 0.0222278 0.5222278), wk = 0.0023419 k( 289) = ( 0.5000000 0.0148185 0.5148185), wk = 0.0023419 k( 290) = ( 0.5000000 0.0074093 0.5074093), wk = 0.0023419 k( 291) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023419 k( 292) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0023419 k( 293) = ( 1.0000000 0.5072448 0.5072448), wk = 0.0023419 k( 294) = ( 1.0000000 0.5144896 0.5144896), wk = 0.0023419 k( 295) = ( 1.0000000 0.5217343 0.5217343), wk = 0.0023419 k( 296) = ( 1.0000000 0.5289791 0.5289791), wk = 0.0023419 k( 297) = ( 1.0000000 0.5362239 0.5362239), wk = 0.0023419 k( 298) = ( 1.0000000 0.5434687 0.5434687), wk = 0.0023419 k( 299) = ( 1.0000000 0.5507135 0.5507135), wk = 0.0023419 k( 300) = ( 1.0000000 0.5579583 0.5579582), wk = 0.0023419 k( 301) = ( 1.0000000 0.5652030 0.5652030), wk = 0.0023419 k( 302) = ( 1.0000000 0.5724478 0.5724478), wk = 0.0023419 k( 303) = ( 1.0000000 0.5796926 0.5796926), wk = 0.0023419 k( 304) = ( 1.0000000 0.5869374 0.5869374), wk = 0.0023419 k( 305) = ( 0.0000000 0.4130626 0.4130626), wk = 0.0023419 k( 306) = ( 0.0116279 0.4210261 0.4093982), wk = 0.0023419 k( 307) = ( 0.0232558 0.4289897 0.4057339), wk = 0.0023419 k( 308) = ( 0.0348837 0.4369532 0.4020695), wk = 0.0023419 k( 309) = ( 0.0465116 0.4449167 0.3984051), wk = 0.0023419 k( 310) = ( 0.0581395 0.4528802 0.3947407), wk = 0.0023419 k( 311) = ( 0.0697674 0.4608438 0.3910763), wk = 0.0023419 k( 312) = ( 0.0813954 0.4688073 0.3874119), wk = 0.0023419 k( 313) = ( 0.0930233 0.4767708 0.3837475), wk = 0.0023419 k( 314) = ( 0.1046512 0.4847343 0.3800832), wk = 0.0023419 k( 315) = ( 0.1162791 0.4926979 0.3764188), wk = 0.0023419 k( 316) = ( 0.1279070 0.5006614 0.3727544), wk = 0.0023419 k( 317) = ( 0.1395349 0.5086249 0.3690900), wk = 0.0023419 k( 318) = ( 0.1511628 0.5165884 0.3654256), wk = 0.0023419 k( 319) = ( 0.1627907 0.5245519 0.3617613), wk = 0.0023419 k( 320) = ( 0.1744186 0.5325155 0.3580969), wk = 0.0023419 k( 321) = ( 0.1860465 0.5404790 0.3544325), wk = 0.0023419 k( 322) = ( 0.1976744 0.5484425 0.3507681), wk = 0.0023419 k( 323) = ( 0.2093023 0.5564060 0.3471037), wk = 0.0023419 k( 324) = ( 0.2209302 0.5643696 0.3434393), wk = 0.0023419 k( 325) = ( 0.2325581 0.5723331 0.3397749), wk = 0.0023419 k( 326) = ( 0.2441860 0.5802966 0.3361106), wk = 0.0023419 k( 327) = ( 0.2558140 0.5882601 0.3324462), wk = 0.0023419 k( 328) = ( 0.2674419 0.5962236 0.3287818), wk = 0.0023419 k( 329) = ( 0.2790698 0.6041872 0.3251174), wk = 0.0023419 k( 330) = ( 0.2906977 0.6121507 0.3214530), wk = 0.0023419 k( 331) = ( 0.3023256 0.6201142 0.3177886), wk = 0.0023419 k( 332) = ( 0.3139535 0.6280777 0.3141243), wk = 0.0023419 k( 333) = ( 0.3255814 0.6360413 0.3104599), wk = 0.0023419 k( 334) = ( 0.3372093 0.6440048 0.3067955), wk = 0.0023419 k( 335) = ( 0.3488372 0.6519683 0.3031311), wk = 0.0023419 k( 336) = ( 0.3604651 0.6599318 0.2994667), wk = 0.0023419 k( 337) = ( 0.3720930 0.6678954 0.2958023), wk = 0.0023419 k( 338) = ( 0.3837209 0.6758589 0.2921379), wk = 0.0023419 k( 339) = ( 0.3953488 0.6838224 0.2884736), wk = 0.0023419 k( 340) = ( 0.4069767 0.6917859 0.2848092), wk = 0.0023419 k( 341) = ( 0.4186047 0.6997494 0.2811448), wk = 0.0023419 k( 342) = ( 0.4302326 0.7077130 0.2774804), wk = 0.0023419 k( 343) = ( 0.4418605 0.7156765 0.2738160), wk = 0.0023419 k( 344) = ( 0.4534884 0.7236400 0.2701516), wk = 0.0023419 k( 345) = ( 0.4651163 0.7316035 0.2664873), wk = 0.0023419 k( 346) = ( 0.4767442 0.7395671 0.2628229), wk = 0.0023419 k( 347) = ( 0.4883721 0.7475306 0.2591585), wk = 0.0023419 k( 348) = ( 0.5000000 0.7554941 0.2554941), wk = 0.0023419 k( 349) = ( 0.5000000 0.7554941 0.2554941), wk = 0.0023419 k( 350) = ( 0.5000000 0.7479796 0.2479796), wk = 0.0023419 k( 351) = ( 0.5000000 0.7404650 0.2404650), wk = 0.0023419 k( 352) = ( 0.5000000 0.7329505 0.2329505), wk = 0.0023419 k( 353) = ( 0.5000000 0.7254360 0.2254360), wk = 0.0023419 k( 354) = ( 0.5000000 0.7179214 0.2179214), wk = 0.0023419 k( 355) = ( 0.5000000 0.7104069 0.2104069), wk = 0.0023419 k( 356) = ( 0.5000000 0.7028924 0.2028924), wk = 0.0023419 k( 357) = ( 0.5000000 0.6953778 0.1953778), wk = 0.0023419 k( 358) = ( 0.5000000 0.6878633 0.1878633), wk = 0.0023419 k( 359) = ( 0.5000000 0.6803488 0.1803488), wk = 0.0023419 k( 360) = ( 0.5000000 0.6728342 0.1728343), wk = 0.0023419 k( 361) = ( 0.5000000 0.6653197 0.1653197), wk = 0.0023419 k( 362) = ( 0.5000000 0.6578052 0.1578052), wk = 0.0023419 k( 363) = ( 0.5000000 0.6502907 0.1502907), wk = 0.0023419 k( 364) = ( 0.5000000 0.6427761 0.1427761), wk = 0.0023419 k( 365) = ( 0.5000000 0.6352616 0.1352616), wk = 0.0023419 k( 366) = ( 0.5000000 0.6277470 0.1277471), wk = 0.0023419 k( 367) = ( 0.5000000 0.6202325 0.1202325), wk = 0.0023419 k( 368) = ( 0.5000000 0.6127180 0.1127180), wk = 0.0023419 k( 369) = ( 0.5000000 0.6052034 0.1052035), wk = 0.0023419 k( 370) = ( 0.5000000 0.5976889 0.0976889), wk = 0.0023419 k( 371) = ( 0.5000000 0.5901744 0.0901744), wk = 0.0023419 k( 372) = ( 0.5000000 0.5826599 0.0826599), wk = 0.0023419 k( 373) = ( 0.5000000 0.5751453 0.0751453), wk = 0.0023419 k( 374) = ( 0.5000000 0.5676308 0.0676308), wk = 0.0023419 k( 375) = ( 0.5000000 0.5601163 0.0601163), wk = 0.0023419 k( 376) = ( 0.5000000 0.5526017 0.0526017), wk = 0.0023419 k( 377) = ( 0.5000000 0.5450872 0.0450872), wk = 0.0023419 k( 378) = ( 0.5000000 0.5375727 0.0375727), wk = 0.0023419 k( 379) = ( 0.5000000 0.5300581 0.0300581), wk = 0.0023419 k( 380) = ( 0.5000000 0.5225436 0.0225436), wk = 0.0023419 k( 381) = ( 0.5000000 0.5150291 0.0150291), wk = 0.0023419 k( 382) = ( 0.5000000 0.5075145 0.0075145), wk = 0.0023419 k( 383) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023419 k( 384) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023419 k( 385) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0023419 k( 386) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0023419 k( 387) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0023419 k( 388) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0023419 k( 389) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0023419 k( 390) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0023419 k( 391) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0023419 k( 392) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0023419 k( 393) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0023419 k( 394) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0023419 k( 395) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0023419 k( 396) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0023419 k( 397) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0023419 k( 398) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0023419 k( 399) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0023419 k( 400) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0023419 k( 401) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0023419 k( 402) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0023419 k( 403) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0023419 k( 404) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0023419 k( 405) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0023419 k( 406) = ( 0.2441860 0.2441861 0.2441860), wk = 0.0023419 k( 407) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0023419 k( 408) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0023419 k( 409) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0023419 k( 410) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0023419 k( 411) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0023419 k( 412) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0023419 k( 413) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0023419 k( 414) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0023419 k( 415) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0023419 k( 416) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0023419 k( 417) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0023419 k( 418) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0023419 k( 419) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0023419 k( 420) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0023419 k( 421) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0023419 k( 422) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0023419 k( 423) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0023419 k( 424) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0023419 k( 425) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0023419 k( 426) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0023419 k( 427) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023419 Dense grid: 133685 G-vectors FFT dimensions: ( 90, 72, 72) Smooth grid: 29007 G-vectors FFT dimensions: ( 54, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 158, 48) NL pseudopotentials 0.15 Mb ( 79, 124) Each V/rho on FFT grid 0.20 Mb ( 12960) Each G-vector array 0.02 Mb ( 2787) G-vector shells 0.02 Mb ( 2624) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.46 Mb ( 158, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./TiSi2.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.4 secs Computing kpt #: 2 total cpu time spent up to now is 46.3 secs Computing kpt #: 3 total cpu time spent up to now is 48.8 secs Computing kpt #: 4 total cpu time spent up to now is 51.5 secs Computing kpt #: 5 total cpu time spent up to now is 53.9 secs Computing kpt #: 6 total cpu time spent up to now is 57.0 secs Computing kpt #: 7 total cpu time spent up to now is 60.8 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 64.4 secs Computing kpt #: 9 total cpu time spent up to now is 67.8 secs Computing kpt #: 10 total cpu time spent up to now is 71.7 secs Computing kpt #: 11 total cpu time spent up to now is 75.4 secs Computing kpt #: 12 total cpu time spent up to now is 79.3 secs Computing kpt #: 13 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 83.1 secs Computing kpt #: 14 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 87.0 secs Computing kpt #: 15 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 90.9 secs Computing kpt #: 16 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 94.5 secs Computing kpt #: 17 total cpu time spent up to now is 97.2 secs Computing kpt #: 18 total cpu time spent up to now is 99.8 secs Computing kpt #: 19 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 103.5 secs Computing kpt #: 20 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.2 secs Computing kpt #: 21 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 111.1 secs Computing kpt #: 22 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 115.0 secs Computing kpt #: 23 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 118.8 secs Computing kpt #: 24 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 122.6 secs Computing kpt #: 25 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 126.4 secs Computing kpt #: 26 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 130.7 secs Computing kpt #: 27 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 134.7 secs Computing kpt #: 28 total cpu time spent up to now is 138.7 secs Computing kpt #: 29 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 142.4 secs Computing kpt #: 30 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 146.8 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 150.6 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 155.0 secs Computing kpt #: 33 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 159.0 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 163.4 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 167.9 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 172.2 secs Computing kpt #: 37 total cpu time spent up to now is 176.1 secs Computing kpt #: 38 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 179.9 secs Computing kpt #: 39 total cpu time spent up to now is 183.0 secs Computing kpt #: 40 total cpu time spent up to now is 185.7 secs Computing kpt #: 41 total cpu time spent up to now is 188.3 secs Computing kpt #: 42 total cpu time spent up to now is 190.9 secs Computing kpt #: 43 total cpu time spent up to now is 193.5 secs Computing kpt #: 44 total cpu time spent up to now is 195.7 secs Computing kpt #: 45 total cpu time spent up to now is 198.0 secs Computing kpt #: 46 total cpu time spent up to now is 200.2 secs Computing kpt #: 47 total cpu time spent up to now is 202.2 secs Computing kpt #: 48 total cpu time spent up to now is 204.2 secs Computing kpt #: 49 total cpu time spent up to now is 206.5 secs Computing kpt #: 50 total cpu time spent up to now is 208.5 secs Computing kpt #: 51 total cpu time spent up to now is 210.8 secs Computing kpt #: 52 total cpu time spent up to now is 212.8 secs Computing kpt #: 53 total cpu time spent up to now is 214.8 secs Computing kpt #: 54 total cpu time spent up to now is 216.7 secs Computing kpt #: 55 total cpu time spent up to now is 218.6 secs Computing kpt #: 56 total cpu time spent up to now is 220.4 secs Computing kpt #: 57 total cpu time spent up to now is 222.2 secs Computing kpt #: 58 total cpu time spent up to now is 224.1 secs Computing kpt #: 59 total cpu time spent up to now is 226.0 secs Computing kpt #: 60 total cpu time spent up to now is 228.2 secs Computing kpt #: 61 total cpu time spent up to now is 230.1 secs Computing kpt #: 62 total cpu time spent up to now is 231.8 secs Computing kpt #: 63 total cpu time spent up to now is 233.6 secs Computing kpt #: 64 total cpu time spent up to now is 235.5 secs Computing kpt #: 65 total cpu time spent up to now is 237.7 secs Computing kpt #: 66 total cpu time spent up to now is 240.8 secs Computing kpt #: 67 total cpu time spent up to now is 242.5 secs Computing kpt #: 68 total cpu time spent up to now is 244.2 secs Computing kpt #: 69 total cpu time spent up to now is 246.2 secs Computing kpt #: 70 total cpu time spent up to now is 247.9 secs Computing kpt #: 71 total cpu time spent up to now is 249.6 secs Computing kpt #: 72 total cpu time spent up to now is 251.4 secs Computing kpt #: 73 total cpu time spent up to now is 253.1 secs Computing kpt #: 74 total cpu time spent up to now is 257.0 secs Computing kpt #: 75 total cpu time spent up to now is 258.5 secs Computing kpt #: 76 total cpu time spent up to now is 260.0 secs Computing kpt #: 77 total cpu time spent up to now is 261.5 secs Computing kpt #: 78 total cpu time spent up to now is 263.4 secs Computing kpt #: 79 total cpu time spent up to now is 265.3 secs Computing kpt #: 80 total cpu time spent up to now is 266.8 secs Computing kpt #: 81 total cpu time spent up to now is 268.3 secs Computing kpt #: 82 total cpu time spent up to now is 270.0 secs Computing kpt #: 83 total cpu time spent up to now is 271.6 secs Computing kpt #: 84 total cpu time spent up to now is 273.1 secs Computing kpt #: 85 total cpu time spent up to now is 274.8 secs Computing kpt #: 86 total cpu time spent up to now is 276.5 secs Computing kpt #: 87 total cpu time spent up to now is 278.1 secs Computing kpt #: 88 total cpu time spent up to now is 279.7 secs Computing kpt #: 89 total cpu time spent up to now is 281.7 secs Computing kpt #: 90 total cpu time spent up to now is 283.3 secs Computing kpt #: 91 total cpu time spent up to now is 285.1 secs Computing kpt #: 92 total cpu time spent up to now is 286.8 secs Computing kpt #: 93 total cpu time spent up to now is 288.5 secs Computing kpt #: 94 total cpu time spent up to now is 290.1 secs Computing kpt #: 95 total cpu time spent up to now is 291.9 secs Computing kpt #: 96 total cpu time spent up to now is 294.0 secs Computing kpt #: 97 total cpu time spent up to now is 296.6 secs Computing kpt #: 98 total cpu time spent up to now is 298.2 secs Computing kpt #: 99 total cpu time spent up to now is 299.8 secs Computing kpt #: 100 total cpu time spent up to now is 301.4 secs Computing kpt #: 101 total cpu time spent up to now is 303.0 secs Computing kpt #: 102 total cpu time spent up to now is 304.6 secs Computing kpt #: 103 total cpu time spent up to now is 306.2 secs Computing kpt #: 104 total cpu time spent up to now is 307.9 secs Computing kpt #: 105 total cpu time spent up to now is 309.6 secs Computing kpt #: 106 total cpu time spent up to now is 311.3 secs Computing kpt #: 107 total cpu time spent up to now is 313.3 secs Computing kpt #: 108 total cpu time spent up to now is 315.6 secs Computing kpt #: 109 total cpu time spent up to now is 317.5 secs Computing kpt #: 110 total cpu time spent up to now is 319.3 secs Computing kpt #: 111 total cpu time spent up to now is 321.2 secs Computing kpt #: 112 total cpu time spent up to now is 323.5 secs Computing kpt #: 113 total cpu time spent up to now is 326.0 secs Computing kpt #: 114 total cpu time spent up to now is 328.1 secs Computing kpt #: 115 total cpu time spent up to now is 330.3 secs Computing kpt #: 116 total cpu time spent up to now is 332.5 secs Computing kpt #: 117 total cpu time spent up to now is 334.9 secs Computing kpt #: 118 total cpu time spent up to now is 337.2 secs Computing kpt #: 119 total cpu time spent up to now is 339.6 secs Computing kpt #: 120 total cpu time spent up to now is 342.2 secs Computing kpt #: 121 total cpu time spent up to now is 345.4 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 349.3 secs Computing kpt #: 123 total cpu time spent up to now is 352.7 secs Computing kpt #: 124 total cpu time spent up to now is 355.2 secs Computing kpt #: 125 total cpu time spent up to now is 357.5 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 362.5 secs Computing kpt #: 128 total cpu time spent up to now is 364.8 secs Computing kpt #: 129 total cpu time spent up to now is 367.0 secs Computing kpt #: 130 total cpu time spent up to now is 369.1 secs Computing kpt #: 131 total cpu time spent up to now is 371.8 secs Computing kpt #: 132 total cpu time spent up to now is 374.0 secs Computing kpt #: 133 total cpu time spent up to now is 376.1 secs Computing kpt #: 134 total cpu time spent up to now is 378.3 secs Computing kpt #: 135 total cpu time spent up to now is 380.9 secs Computing kpt #: 136 total cpu time spent up to now is 383.4 secs Computing kpt #: 137 total cpu time spent up to now is 385.6 secs Computing kpt #: 138 total cpu time spent up to now is 388.5 secs Computing kpt #: 139 total cpu time spent up to now is 391.7 secs Computing kpt #: 140 total cpu time spent up to now is 395.0 secs Computing kpt #: 141 total cpu time spent up to now is 398.3 secs Computing kpt #: 142 total cpu time spent up to now is 401.7 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 405.6 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.7 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.4 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.4 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 423.1 secs Computing kpt #: 148 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 426.9 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 430.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 434.5 secs Computing kpt #: 151 total cpu time spent up to now is 438.0 secs Computing kpt #: 152 total cpu time spent up to now is 440.9 secs Computing kpt #: 153 total cpu time spent up to now is 443.4 secs Computing kpt #: 154 total cpu time spent up to now is 445.8 secs Computing kpt #: 155 total cpu time spent up to now is 448.3 secs Computing kpt #: 156 total cpu time spent up to now is 450.4 secs Computing kpt #: 157 total cpu time spent up to now is 452.9 secs Computing kpt #: 158 total cpu time spent up to now is 455.3 secs Computing kpt #: 159 total cpu time spent up to now is 458.1 secs Computing kpt #: 160 total cpu time spent up to now is 460.8 secs Computing kpt #: 161 total cpu time spent up to now is 463.4 secs Computing kpt #: 162 total cpu time spent up to now is 465.8 secs Computing kpt #: 163 total cpu time spent up to now is 467.9 secs Computing kpt #: 164 total cpu time spent up to now is 470.0 secs Computing kpt #: 165 total cpu time spent up to now is 472.1 secs Computing kpt #: 166 total cpu time spent up to now is 474.3 secs Computing kpt #: 167 total cpu time spent up to now is 476.6 secs Computing kpt #: 168 total cpu time spent up to now is 478.6 secs Computing kpt #: 169 total cpu time spent up to now is 480.5 secs Computing kpt #: 170 total cpu time spent up to now is 482.3 secs Computing kpt #: 171 total cpu time spent up to now is 484.7 secs Computing kpt #: 172 total cpu time spent up to now is 486.5 secs Computing kpt #: 173 total cpu time spent up to now is 488.3 secs Computing kpt #: 174 total cpu time spent up to now is 490.0 secs Computing kpt #: 175 total cpu time spent up to now is 491.8 secs Computing kpt #: 176 total cpu time spent up to now is 493.5 secs Computing kpt #: 177 total cpu time spent up to now is 495.2 secs Computing kpt #: 178 total cpu time spent up to now is 497.0 secs Computing kpt #: 179 total cpu time spent up to now is 498.8 secs Computing kpt #: 180 total cpu time spent up to now is 500.4 secs Computing kpt #: 181 total cpu time spent up to now is 502.1 secs Computing kpt #: 182 total cpu time spent up to now is 503.6 secs Computing kpt #: 183 total cpu time spent up to now is 505.1 secs Computing kpt #: 184 total cpu time spent up to now is 507.2 secs Computing kpt #: 185 total cpu time spent up to now is 508.7 secs Computing kpt #: 186 total cpu time spent up to now is 510.2 secs Computing kpt #: 187 total cpu time spent up to now is 512.1 secs Computing kpt #: 188 total cpu time spent up to now is 513.7 secs Computing kpt #: 189 total cpu time spent up to now is 515.2 secs Computing kpt #: 190 total cpu time spent up to now is 516.8 secs Computing kpt #: 191 total cpu time spent up to now is 518.5 secs Computing kpt #: 192 total cpu time spent up to now is 520.2 secs Computing kpt #: 193 total cpu time spent up to now is 522.1 secs Computing kpt #: 194 total cpu time spent up to now is 524.2 secs Computing kpt #: 195 total cpu time spent up to now is 526.0 secs Computing kpt #: 196 total cpu time spent up to now is 528.9 secs Computing kpt #: 197 total cpu time spent up to now is 530.6 secs Computing kpt #: 198 total cpu time spent up to now is 532.2 secs Computing kpt #: 199 total cpu time spent up to now is 533.8 secs Computing kpt #: 200 total cpu time spent up to now is 535.4 secs Computing kpt #: 201 total cpu time spent up to now is 537.0 secs Computing kpt #: 202 total cpu time spent up to now is 538.5 secs Computing kpt #: 203 total cpu time spent up to now is 540.1 secs Computing kpt #: 204 total cpu time spent up to now is 541.6 secs Computing kpt #: 205 total cpu time spent up to now is 543.1 secs Computing kpt #: 206 total cpu time spent up to now is 544.6 secs Computing kpt #: 207 total cpu time spent up to now is 546.2 secs Computing kpt #: 208 total cpu time spent up to now is 547.8 secs Computing kpt #: 209 total cpu time spent up to now is 549.3 secs Computing kpt #: 210 total cpu time spent up to now is 550.8 secs Computing kpt #: 211 total cpu time spent up to now is 552.2 secs Computing kpt #: 212 total cpu time spent up to now is 553.7 secs Computing kpt #: 213 total cpu time spent up to now is 555.8 secs Computing kpt #: 214 total cpu time spent up to now is 557.4 secs Computing kpt #: 215 total cpu time spent up to now is 558.9 secs Computing kpt #: 216 total cpu time spent up to now is 560.4 secs Computing kpt #: 217 total cpu time spent up to now is 561.9 secs Computing kpt #: 218 total cpu time spent up to now is 563.5 secs Computing kpt #: 219 total cpu time spent up to now is 565.0 secs Computing kpt #: 220 total cpu time spent up to now is 567.3 secs Computing kpt #: 221 total cpu time spent up to now is 568.8 secs Computing kpt #: 222 total cpu time spent up to now is 570.3 secs Computing kpt #: 223 total cpu time spent up to now is 571.8 secs Computing kpt #: 224 total cpu time spent up to now is 573.4 secs Computing kpt #: 225 total cpu time spent up to now is 575.0 secs Computing kpt #: 226 total cpu time spent up to now is 576.8 secs Computing kpt #: 227 total cpu time spent up to now is 578.3 secs Computing kpt #: 228 total cpu time spent up to now is 579.8 secs Computing kpt #: 229 total cpu time spent up to now is 581.3 secs Computing kpt #: 230 total cpu time spent up to now is 582.8 secs Computing kpt #: 231 total cpu time spent up to now is 584.6 secs Computing kpt #: 232 total cpu time spent up to now is 586.3 secs Computing kpt #: 233 total cpu time spent up to now is 587.9 secs Computing kpt #: 234 total cpu time spent up to now is 589.7 secs Computing kpt #: 235 total cpu time spent up to now is 591.1 secs Computing kpt #: 236 total cpu time spent up to now is 592.6 secs Computing kpt #: 237 total cpu time spent up to now is 594.0 secs Computing kpt #: 238 total cpu time spent up to now is 595.7 secs Computing kpt #: 239 total cpu time spent up to now is 597.3 secs Computing kpt #: 240 total cpu time spent up to now is 598.9 secs Computing kpt #: 241 total cpu time spent up to now is 600.5 secs Computing kpt #: 242 total cpu time spent up to now is 602.1 secs Computing kpt #: 243 total cpu time spent up to now is 603.8 secs Computing kpt #: 244 total cpu time spent up to now is 605.6 secs Computing kpt #: 245 total cpu time spent up to now is 607.6 secs Computing kpt #: 246 total cpu time spent up to now is 609.9 secs Computing kpt #: 247 total cpu time spent up to now is 611.5 secs Computing kpt #: 248 total cpu time spent up to now is 613.2 secs Computing kpt #: 249 total cpu time spent up to now is 615.0 secs Computing kpt #: 250 total cpu time spent up to now is 616.9 secs Computing kpt #: 251 total cpu time spent up to now is 618.7 secs Computing kpt #: 252 total cpu time spent up to now is 620.4 secs Computing kpt #: 253 total cpu time spent up to now is 622.1 secs Computing kpt #: 254 total cpu time spent up to now is 623.9 secs Computing kpt #: 255 total cpu time spent up to now is 626.0 secs Computing kpt #: 256 total cpu time spent up to now is 627.9 secs Computing kpt #: 257 total cpu time spent up to now is 629.6 secs Computing kpt #: 258 total cpu time spent up to now is 631.2 secs Computing kpt #: 259 total cpu time spent up to now is 632.9 secs Computing kpt #: 260 total cpu time spent up to now is 634.7 secs Computing kpt #: 261 total cpu time spent up to now is 636.5 secs Computing kpt #: 262 total cpu time spent up to now is 638.7 secs Computing kpt #: 263 total cpu time spent up to now is 640.5 secs Computing kpt #: 264 total cpu time spent up to now is 642.4 secs Computing kpt #: 265 total cpu time spent up to now is 644.5 secs Computing kpt #: 266 total cpu time spent up to now is 646.5 secs Computing kpt #: 267 total cpu time spent up to now is 648.6 secs Computing kpt #: 268 total cpu time spent up to now is 650.7 secs Computing kpt #: 269 total cpu time spent up to now is 652.8 secs Computing kpt #: 270 total cpu time spent up to now is 655.4 secs Computing kpt #: 271 total cpu time spent up to now is 657.6 secs Computing kpt #: 272 total cpu time spent up to now is 659.9 secs Computing kpt #: 273 total cpu time spent up to now is 662.3 secs Computing kpt #: 274 total cpu time spent up to now is 665.0 secs Computing kpt #: 275 total cpu time spent up to now is 667.3 secs Computing kpt #: 276 total cpu time spent up to now is 669.4 secs Computing kpt #: 277 total cpu time spent up to now is 673.1 secs Computing kpt #: 278 total cpu time spent up to now is 675.7 secs Computing kpt #: 279 total cpu time spent up to now is 678.8 secs Computing kpt #: 280 total cpu time spent up to now is 682.5 secs Computing kpt #: 281 total cpu time spent up to now is 686.1 secs Computing kpt #: 282 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 690.1 secs Computing kpt #: 283 total cpu time spent up to now is 693.5 secs Computing kpt #: 284 total cpu time spent up to now is 697.0 secs Computing kpt #: 285 total cpu time spent up to now is 700.2 secs Computing kpt #: 286 total cpu time spent up to now is 703.4 secs Computing kpt #: 287 total cpu time spent up to now is 706.7 secs Computing kpt #: 288 total cpu time spent up to now is 709.5 secs Computing kpt #: 289 total cpu time spent up to now is 712.2 secs Computing kpt #: 290 total cpu time spent up to now is 714.9 secs Computing kpt #: 291 total cpu time spent up to now is 717.3 secs Computing kpt #: 292 total cpu time spent up to now is 718.9 secs Computing kpt #: 293 total cpu time spent up to now is 720.2 secs Computing kpt #: 294 total cpu time spent up to now is 721.8 secs Computing kpt #: 295 total cpu time spent up to now is 723.0 secs Computing kpt #: 296 total cpu time spent up to now is 724.3 secs Computing kpt #: 297 total cpu time spent up to now is 725.8 secs Computing kpt #: 298 total cpu time spent up to now is 727.3 secs Computing kpt #: 299 total cpu time spent up to now is 728.7 secs Computing kpt #: 300 total cpu time spent up to now is 730.6 secs Computing kpt #: 301 total cpu time spent up to now is 732.0 secs Computing kpt #: 302 total cpu time spent up to now is 733.3 secs Computing kpt #: 303 total cpu time spent up to now is 734.7 secs Computing kpt #: 304 total cpu time spent up to now is 736.3 secs Computing kpt #: 305 total cpu time spent up to now is 737.7 secs Computing kpt #: 306 total cpu time spent up to now is 739.4 secs Computing kpt #: 307 total cpu time spent up to now is 741.0 secs Computing kpt #: 308 total cpu time spent up to now is 742.7 secs Computing kpt #: 309 total cpu time spent up to now is 744.2 secs Computing kpt #: 310 total cpu time spent up to now is 745.7 secs Computing kpt #: 311 total cpu time spent up to now is 747.3 secs Computing kpt #: 312 total cpu time spent up to now is 749.1 secs Computing kpt #: 313 total cpu time spent up to now is 751.2 secs Computing kpt #: 314 total cpu time spent up to now is 753.0 secs Computing kpt #: 315 total cpu time spent up to now is 754.7 secs Computing kpt #: 316 total cpu time spent up to now is 756.3 secs Computing kpt #: 317 total cpu time spent up to now is 758.1 secs Computing kpt #: 318 total cpu time spent up to now is 759.9 secs Computing kpt #: 319 total cpu time spent up to now is 761.7 secs Computing kpt #: 320 total cpu time spent up to now is 763.6 secs Computing kpt #: 321 total cpu time spent up to now is 765.3 secs Computing kpt #: 322 total cpu time spent up to now is 767.0 secs Computing kpt #: 323 total cpu time spent up to now is 768.7 secs Computing kpt #: 324 total cpu time spent up to now is 770.5 secs Computing kpt #: 325 total cpu time spent up to now is 772.3 secs Computing kpt #: 326 total cpu time spent up to now is 774.0 secs Computing kpt #: 327 total cpu time spent up to now is 776.0 secs Computing kpt #: 328 total cpu time spent up to now is 777.9 secs Computing kpt #: 329 total cpu time spent up to now is 779.7 secs Computing kpt #: 330 total cpu time spent up to now is 781.6 secs Computing kpt #: 331 total cpu time spent up to now is 783.5 secs Computing kpt #: 332 total cpu time spent up to now is 785.5 secs Computing kpt #: 333 total cpu time spent up to now is 787.4 secs Computing kpt #: 334 total cpu time spent up to now is 790.1 secs Computing kpt #: 335 total cpu time spent up to now is 792.1 secs Computing kpt #: 336 total cpu time spent up to now is 794.3 secs Computing kpt #: 337 total cpu time spent up to now is 796.5 secs Computing kpt #: 338 total cpu time spent up to now is 798.7 secs Computing kpt #: 339 total cpu time spent up to now is 800.7 secs Computing kpt #: 340 total cpu time spent up to now is 802.7 secs Computing kpt #: 341 total cpu time spent up to now is 804.6 secs Computing kpt #: 342 total cpu time spent up to now is 806.7 secs Computing kpt #: 343 total cpu time spent up to now is 808.5 secs Computing kpt #: 344 total cpu time spent up to now is 810.6 secs Computing kpt #: 345 total cpu time spent up to now is 812.5 secs Computing kpt #: 346 total cpu time spent up to now is 814.5 secs Computing kpt #: 347 total cpu time spent up to now is 816.2 secs Computing kpt #: 348 total cpu time spent up to now is 818.0 secs Computing kpt #: 349 total cpu time spent up to now is 819.8 secs Computing kpt #: 350 total cpu time spent up to now is 821.7 secs Computing kpt #: 351 total cpu time spent up to now is 824.5 secs Computing kpt #: 352 total cpu time spent up to now is 826.2 secs Computing kpt #: 353 total cpu time spent up to now is 827.9 secs Computing kpt #: 354 total cpu time spent up to now is 829.7 secs Computing kpt #: 355 total cpu time spent up to now is 831.7 secs Computing kpt #: 356 total cpu time spent up to now is 833.4 secs Computing kpt #: 357 total cpu time spent up to now is 835.0 secs Computing kpt #: 358 total cpu time spent up to now is 836.5 secs Computing kpt #: 359 total cpu time spent up to now is 838.1 secs Computing kpt #: 360 total cpu time spent up to now is 840.0 secs Computing kpt #: 361 total cpu time spent up to now is 841.8 secs Computing kpt #: 362 total cpu time spent up to now is 843.3 secs Computing kpt #: 363 total cpu time spent up to now is 844.8 secs Computing kpt #: 364 total cpu time spent up to now is 846.3 secs Computing kpt #: 365 total cpu time spent up to now is 848.0 secs Computing kpt #: 366 total cpu time spent up to now is 849.4 secs Computing kpt #: 367 total cpu time spent up to now is 850.7 secs Computing kpt #: 368 total cpu time spent up to now is 852.2 secs Computing kpt #: 369 total cpu time spent up to now is 854.1 secs Computing kpt #: 370 total cpu time spent up to now is 855.7 secs Computing kpt #: 371 total cpu time spent up to now is 857.3 secs Computing kpt #: 372 total cpu time spent up to now is 858.9 secs Computing kpt #: 373 total cpu time spent up to now is 860.6 secs Computing kpt #: 374 total cpu time spent up to now is 862.4 secs Computing kpt #: 375 total cpu time spent up to now is 864.8 secs Computing kpt #: 376 total cpu time spent up to now is 867.2 secs Computing kpt #: 377 total cpu time spent up to now is 869.5 secs Computing kpt #: 378 total cpu time spent up to now is 872.2 secs Computing kpt #: 379 total cpu time spent up to now is 874.9 secs Computing kpt #: 380 total cpu time spent up to now is 877.6 secs Computing kpt #: 381 total cpu time spent up to now is 880.1 secs Computing kpt #: 382 total cpu time spent up to now is 882.9 secs Computing kpt #: 383 total cpu time spent up to now is 885.4 secs Computing kpt #: 384 total cpu time spent up to now is 887.1 secs Computing kpt #: 385 total cpu time spent up to now is 889.2 secs Computing kpt #: 386 total cpu time spent up to now is 891.1 secs Computing kpt #: 387 total cpu time spent up to now is 892.8 secs Computing kpt #: 388 total cpu time spent up to now is 894.6 secs Computing kpt #: 389 total cpu time spent up to now is 896.2 secs Computing kpt #: 390 total cpu time spent up to now is 898.0 secs Computing kpt #: 391 total cpu time spent up to now is 900.4 secs Computing kpt #: 392 total cpu time spent up to now is 902.3 secs Computing kpt #: 393 total cpu time spent up to now is 904.1 secs Computing kpt #: 394 total cpu time spent up to now is 905.9 secs Computing kpt #: 395 total cpu time spent up to now is 908.2 secs Computing kpt #: 396 total cpu time spent up to now is 910.4 secs Computing kpt #: 397 total cpu time spent up to now is 912.4 secs Computing kpt #: 398 total cpu time spent up to now is 914.5 secs Computing kpt #: 399 total cpu time spent up to now is 916.4 secs Computing kpt #: 400 total cpu time spent up to now is 918.6 secs Computing kpt #: 401 total cpu time spent up to now is 920.7 secs Computing kpt #: 402 total cpu time spent up to now is 922.8 secs Computing kpt #: 403 total cpu time spent up to now is 924.9 secs Computing kpt #: 404 total cpu time spent up to now is 927.0 secs Computing kpt #: 405 total cpu time spent up to now is 929.2 secs Computing kpt #: 406 total cpu time spent up to now is 931.2 secs Computing kpt #: 407 total cpu time spent up to now is 933.3 secs Computing kpt #: 408 total cpu time spent up to now is 935.4 secs Computing kpt #: 409 total cpu time spent up to now is 937.5 secs Computing kpt #: 410 total cpu time spent up to now is 939.9 secs Computing kpt #: 411 total cpu time spent up to now is 942.1 secs Computing kpt #: 412 total cpu time spent up to now is 944.2 secs Computing kpt #: 413 total cpu time spent up to now is 946.4 secs Computing kpt #: 414 total cpu time spent up to now is 949.1 secs Computing kpt #: 415 total cpu time spent up to now is 951.4 secs Computing kpt #: 416 total cpu time spent up to now is 953.6 secs Computing kpt #: 417 total cpu time spent up to now is 955.8 secs Computing kpt #: 418 total cpu time spent up to now is 958.2 secs Computing kpt #: 419 total cpu time spent up to now is 961.1 secs Computing kpt #: 420 total cpu time spent up to now is 963.3 secs Computing kpt #: 421 total cpu time spent up to now is 965.9 secs Computing kpt #: 422 total cpu time spent up to now is 968.4 secs Computing kpt #: 423 total cpu time spent up to now is 971.4 secs Computing kpt #: 424 total cpu time spent up to now is 974.3 secs Computing kpt #: 425 total cpu time spent up to now is 976.9 secs Computing kpt #: 426 total cpu time spent up to now is 979.6 secs Computing kpt #: 427 total cpu time spent up to now is 981.8 secs ethr = 2.50E-11, avg # of iterations = 49.0 total cpu time spent up to now is 981.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3625 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5130 -20.5130 -19.9728 -19.9728 -19.9124 -19.9124 -19.8674 -19.8674 -19.8531 -19.8531 -0.0597 -0.0597 5.7659 5.7659 6.7162 6.7162 7.1239 7.1239 7.5159 7.5159 8.7087 8.7087 8.7245 8.7245 9.9668 9.9668 10.2246 10.2246 10.4299 10.4299 10.7113 10.7113 11.1043 11.1043 11.5533 11.5533 14.5124 14.5124 15.5654 15.5654 15.7381 15.7381 k = 0.0128-0.0103 0.0083 ( 3625 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5932 -20.5932 -20.5130 -20.5130 -19.9728 -19.9728 -19.9124 -19.9124 -19.8674 -19.8674 -19.8531 -19.8531 -0.0583 -0.0583 5.7632 5.7632 6.6950 6.6950 7.1243 7.1243 7.5419 7.5419 8.7033 8.7033 8.7232 8.7232 9.9666 9.9666 10.2306 10.2306 10.4314 10.4314 10.7128 10.7128 11.1014 11.1014 11.5517 11.5517 14.5107 14.5107 15.5656 15.5656 15.7362 15.7362 k = 0.0256-0.0206 0.0167 ( 3645 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5932 -20.5932 -20.5132 -20.5132 -19.9728 -19.9728 -19.9125 -19.9125 -19.8675 -19.8675 -19.8533 -19.8533 -0.0541 -0.0541 5.7546 5.7546 6.6391 6.6391 7.1256 7.1256 7.6126 7.6126 8.6871 8.6871 8.7194 8.7194 9.9657 9.9657 10.2485 10.2485 10.4356 10.4356 10.7172 10.7172 11.0929 11.0929 11.5470 11.5470 14.5056 14.5056 15.5663 15.5663 15.7305 15.7305 k = 0.0385-0.0309 0.0250 ( 3646 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5931 -20.5931 -20.5134 -20.5134 -19.9726 -19.9726 -19.9125 -19.9125 -19.8675 -19.8675 -19.8534 -19.8534 -0.0471 -0.0471 5.7390 5.7390 6.5641 6.5641 7.1278 7.1278 7.7137 7.7137 8.6610 8.6610 8.7134 8.7134 9.9644 9.9644 10.2773 10.2773 10.4425 10.4425 10.7244 10.7244 11.0790 11.0790 11.5392 11.5392 14.4970 14.4970 15.5674 15.5674 15.7211 15.7211 k = 0.0513-0.0413 0.0333 ( 3646 PWs) bands (ev): -43.8030 -43.8030 -43.7761 -43.7761 -20.5929 -20.5929 -20.5137 -20.5137 -19.9724 -19.9724 -19.9126 -19.9126 -19.8677 -19.8677 -19.8536 -19.8536 -0.0372 -0.0372 5.7141 5.7141 6.4833 6.4833 7.1309 7.1309 7.8337 7.8337 8.6260 8.6260 8.7052 8.7052 9.9626 9.9626 10.3155 10.3155 10.4520 10.4520 10.7344 10.7344 11.0600 11.0600 11.5285 11.5285 14.4851 14.4851 15.5689 15.5689 15.7079 15.7079 k = 0.0641-0.0516 0.0417 ( 3650 PWs) bands (ev): -43.8029 -43.8029 -43.7762 -43.7762 -20.5927 -20.5927 -20.5140 -20.5140 -19.9721 -19.9721 -19.9126 -19.9126 -19.8678 -19.8678 -19.8538 -19.8538 -0.0246 -0.0246 5.6773 5.6773 6.4068 6.4068 7.1348 7.1348 7.9654 7.9654 8.5837 8.5837 8.6949 8.6949 9.9603 9.9603 10.3616 10.3616 10.4638 10.4638 10.7472 10.7472 11.0366 11.0366 11.5152 11.5152 14.4699 14.4699 15.5707 15.5707 15.6913 15.6913 k = 0.0769-0.0619 0.0500 ( 3642 PWs) bands (ev): -43.8028 -43.8028 -43.7763 -43.7763 -20.5923 -20.5923 -20.5144 -20.5144 -19.9717 -19.9717 -19.9126 -19.9126 -19.8679 -19.8679 -19.8541 -19.8541 -0.0092 -0.0092 5.6259 5.6259 6.3410 6.3410 7.1397 7.1397 8.1045 8.1045 8.5355 8.5355 8.6825 8.6825 9.9578 9.9578 10.4136 10.4136 10.4780 10.4780 10.7624 10.7624 11.0094 11.0094 11.4995 11.4995 14.4516 14.4516 15.5728 15.5728 15.6714 15.6714 k = 0.0897-0.0722 0.0583 ( 3638 PWs) bands (ev): -43.8026 -43.8026 -43.7765 -43.7765 -20.5920 -20.5920 -20.5148 -20.5148 -19.9712 -19.9712 -19.9127 -19.9127 -19.8680 -19.8680 -19.8544 -19.8544 0.0090 0.0090 5.5584 5.5584 6.2897 6.2897 7.1454 7.1454 8.2484 8.2484 8.4827 8.4827 8.6682 8.6682 9.9550 9.9550 10.4689 10.4689 10.4951 10.4951 10.7801 10.7801 10.9792 10.9792 11.4818 11.4818 14.4302 14.4302 15.5750 15.5750 15.6488 15.6488 k = 0.1026-0.0825 0.0667 ( 3642 PWs) bands (ev): -43.8025 -43.8025 -43.7766 -43.7766 -20.5916 -20.5916 -20.5154 -20.5154 -19.9707 -19.9707 -19.9127 -19.9127 -19.8683 -19.8683 -19.8548 -19.8548 0.0300 0.0300 5.4755 5.4755 6.2538 6.2538 7.1520 7.1520 8.3952 8.3952 8.4265 8.4265 8.6521 8.6521 9.9521 9.9521 10.5067 10.5067 10.5339 10.5339 10.8001 10.8001 10.9470 10.9470 11.4625 11.4625 14.4060 14.4060 15.5769 15.5769 15.6242 15.6242 k = 0.1154-0.0928 0.0750 ( 3642 PWs) bands (ev): -43.8023 -43.8023 -43.7768 -43.7768 -20.5911 -20.5911 -20.5160 -20.5160 -19.9701 -19.9701 -19.9128 -19.9128 -19.8685 -19.8685 -19.8552 -19.8552 0.0538 0.0538 5.3796 5.3796 6.2316 6.2316 7.1595 7.1595 8.3677 8.3677 8.5437 8.5437 8.6346 8.6346 9.9492 9.9492 10.5259 10.5259 10.5937 10.5937 10.8222 10.8222 10.9139 10.9139 11.4422 11.4422 14.3795 14.3795 15.5768 15.5768 15.5998 15.5998 k = 0.1282-0.1032 0.0833 ( 3640 PWs) bands (ev): -43.8021 -43.8021 -43.7770 -43.7770 -20.5906 -20.5906 -20.5166 -20.5166 -19.9695 -19.9695 -19.9129 -19.9129 -19.8687 -19.8687 -19.8556 -19.8556 0.0803 0.0803 5.2738 5.2738 6.2207 6.2207 7.1679 7.1679 8.3074 8.3074 8.6147 8.6147 8.6933 8.6933 9.9463 9.9463 10.5441 10.5441 10.6548 10.6548 10.8463 10.8463 10.8811 10.8811 11.4213 11.4213 14.3510 14.3510 15.5631 15.5631 15.5877 15.5877 k = 0.1410-0.1135 0.0916 ( 3640 PWs) bands (ev): -43.8018 -43.8018 -43.7772 -43.7772 -20.5900 -20.5900 -20.5174 -20.5174 -19.9688 -19.9688 -19.9130 -19.9130 -19.8690 -19.8690 -19.8561 -19.8561 0.1095 0.1095 5.1609 5.1609 6.2185 6.2185 7.1771 7.1771 8.2460 8.2460 8.5943 8.5943 8.8412 8.8412 9.9436 9.9436 10.5619 10.5619 10.7150 10.7150 10.8499 10.8499 10.8723 10.8723 11.4006 11.4006 14.3212 14.3212 15.5371 15.5371 15.5871 15.5871 k = 0.1538-0.1238 0.1000 ( 3640 PWs) bands (ev): -43.8016 -43.8016 -43.7775 -43.7775 -20.5893 -20.5893 -20.5182 -20.5182 -19.9680 -19.9680 -19.9131 -19.9131 -19.8693 -19.8693 -19.8566 -19.8566 0.1415 0.1415 5.0431 5.0431 6.2231 6.2231 7.1873 7.1873 8.1843 8.1843 8.5724 8.5724 8.9868 8.9868 9.9410 9.9410 10.5785 10.5785 10.7726 10.7726 10.8225 10.8225 10.8997 10.8997 11.3807 11.3807 14.2908 14.2908 15.5099 15.5099 15.5874 15.5874 k = 0.1667-0.1341 0.1083 ( 3644 PWs) bands (ev): -43.8013 -43.8013 -43.7777 -43.7777 -20.5886 -20.5886 -20.5191 -20.5191 -19.9672 -19.9672 -19.9132 -19.9132 -19.8696 -19.8696 -19.8572 -19.8572 0.1762 0.1762 4.9222 4.9222 6.2330 6.2330 7.1984 7.1984 8.1225 8.1225 8.5494 8.5494 9.1283 9.1283 9.9388 9.9388 10.5934 10.5934 10.8002 10.8002 10.8272 10.8272 10.9287 10.9287 11.3625 11.3625 14.2606 14.2606 15.4835 15.4835 15.5867 15.5867 k = 0.1795-0.1444 0.1166 ( 3644 PWs) bands (ev): -43.8010 -43.8010 -43.7780 -43.7780 -20.5879 -20.5879 -20.5200 -20.5200 -19.9663 -19.9663 -19.9133 -19.9133 -19.8700 -19.8700 -19.8578 -19.8578 0.2136 0.2136 4.7992 4.7992 6.2470 6.2470 7.2104 7.2104 8.0611 8.0611 8.5253 8.5253 9.2634 9.2634 9.9369 9.9369 10.6058 10.6058 10.7868 10.7868 10.8764 10.8764 10.9589 10.9589 11.3467 11.3467 14.2315 14.2315 15.4589 15.4589 15.5838 15.5840 k = 0.1923-0.1547 0.1250 ( 3640 PWs) bands (ev): -43.8007 -43.8007 -43.7783 -43.7783 -20.5871 -20.5871 -20.5210 -20.5210 -19.9653 -19.9653 -19.9135 -19.9135 -19.8703 -19.8703 -19.8584 -19.8584 0.2536 0.2536 4.6751 4.6751 6.2643 6.2643 7.2232 7.2232 8.0004 8.0004 8.5003 8.5003 9.3890 9.3890 9.9354 9.9354 10.6149 10.6149 10.7848 10.7848 10.9199 10.9199 10.9903 10.9903 11.3343 11.3343 14.2044 14.2044 15.4368 15.4368 15.5733 15.5733 k = 0.2051-0.1651 0.1333 ( 3646 PWs) bands (ev): -43.8004 -43.8004 -43.7786 -43.7786 -20.5862 -20.5862 -20.5221 -20.5221 -19.9643 -19.9643 -19.9137 -19.9137 -19.8707 -19.8707 -19.8590 -19.8590 0.2963 0.2963 4.5505 4.5505 6.2843 6.2843 7.2370 7.2370 7.9407 7.9407 8.4744 8.4744 9.5018 9.5018 9.9344 9.9344 10.6200 10.6200 10.7980 10.7980 10.9566 10.9566 11.0225 11.0225 11.3258 11.3258 14.1802 14.1802 15.4175 15.4175 15.5597 15.5597 k = 0.2179-0.1754 0.1416 ( 3642 PWs) bands (ev): -43.8001 -43.8001 -43.7790 -43.7790 -20.5853 -20.5853 -20.5232 -20.5232 -19.9633 -19.9633 -19.9140 -19.9140 -19.8710 -19.8710 -19.8597 -19.8597 0.3416 0.3416 4.4257 4.4257 6.3066 6.3066 7.2517 7.2517 7.8820 7.8820 8.4478 8.4478 9.5984 9.5984 9.9339 9.9339 10.6206 10.6206 10.8304 10.8304 10.9857 10.9857 11.0555 11.0555 11.3218 11.3218 14.1597 14.1597 15.4017 15.4017 15.5479 15.5479 k = 0.2308-0.1857 0.1500 ( 3626 PWs) bands (ev): -43.7997 -43.7997 -43.7793 -43.7793 -20.5843 -20.5843 -20.5243 -20.5243 -19.9621 -19.9621 -19.9142 -19.9142 -19.8714 -19.8714 -19.8603 -19.8603 0.3895 0.3895 4.3011 4.3011 6.3308 6.3308 7.2673 7.2673 7.8246 7.8246 8.4205 8.4205 9.6761 9.6761 9.9340 9.9340 10.6163 10.6163 10.8848 10.8848 11.0064 11.0064 11.0889 11.0889 11.3226 11.3226 14.1433 14.1433 15.3896 15.3896 15.5382 15.5382 k = 0.2436-0.1960 0.1583 ( 3630 PWs) bands (ev): -43.7993 -43.7993 -43.7797 -43.7797 -20.5833 -20.5833 -20.5255 -20.5255 -19.9609 -19.9609 -19.9145 -19.9145 -19.8717 -19.8717 -19.8610 -19.8610 0.4399 0.4399 4.1770 4.1770 6.3565 6.3565 7.2838 7.2838 7.7686 7.7686 8.3926 8.3926 9.7341 9.7341 9.9346 9.9346 10.6071 10.6071 10.9623 10.9623 11.0183 11.0183 11.1228 11.1228 11.3281 11.3281 14.1314 14.1314 15.3814 15.3814 15.5306 15.5306 k = 0.2564-0.2063 0.1666 ( 3640 PWs) bands (ev): -43.7989 -43.7989 -43.7801 -43.7801 -20.5823 -20.5823 -20.5268 -20.5268 -19.9598 -19.9598 -19.9149 -19.9149 -19.8721 -19.8721 -19.8617 -19.8617 0.4929 0.4929 4.0535 4.0535 6.3836 6.3836 7.3011 7.3011 7.7141 7.7141 8.3641 8.3641 9.7740 9.7740 9.9359 9.9359 10.5935 10.5935 11.0211 11.0211 11.0614 11.0614 11.1568 11.1568 11.3381 11.3381 14.1241 14.1241 15.3776 15.3776 15.5247 15.5247 k = 0.2692-0.2166 0.1750 ( 3642 PWs) bands (ev): -43.7985 -43.7985 -43.7805 -43.7805 -20.5812 -20.5812 -20.5281 -20.5281 -19.9586 -19.9586 -19.9153 -19.9153 -19.8725 -19.8725 -19.8623 -19.8623 0.5485 0.5485 3.9308 3.9308 6.4118 6.4118 7.3193 7.3193 7.6612 7.6612 8.3352 8.3352 9.7991 9.7991 9.9379 9.9379 10.5758 10.5758 11.0147 11.0147 11.1790 11.1790 11.1910 11.1910 11.3520 11.3520 14.1209 14.1209 15.3783 15.3783 15.5191 15.5191 k = 0.2821-0.2269 0.1833 ( 3648 PWs) bands (ev): -43.7981 -43.7981 -43.7809 -43.7809 -20.5802 -20.5802 -20.5294 -20.5294 -19.9573 -19.9573 -19.9158 -19.9158 -19.8728 -19.8728 -19.8631 -19.8631 0.6065 0.6065 3.8090 3.8090 6.4409 6.4409 7.3385 7.3385 7.6098 7.6098 8.3058 8.3058 9.8133 9.8133 9.9405 9.9405 10.5548 10.5548 10.9995 10.9995 11.2250 11.2250 11.3109 11.3109 11.3694 11.3694 14.1214 14.1214 15.3836 15.3836 15.5120 15.5120 k = 0.2949-0.2373 0.1916 ( 3640 PWs) bands (ev): -43.7977 -43.7977 -43.7813 -43.7813 -20.5789 -20.5789 -20.5308 -20.5308 -19.9560 -19.9560 -19.9163 -19.9163 -19.8731 -19.8731 -19.8637 -19.8637 0.6670 0.6670 3.6882 3.6882 6.4707 6.4707 7.3584 7.3584 7.5601 7.5601 8.2760 8.2760 9.8203 9.8203 9.9438 9.9438 10.5311 10.5311 10.9759 10.9759 11.2588 11.2588 11.3873 11.3873 11.4558 11.4558 14.1247 14.1247 15.3936 15.3936 15.5051 15.5051 k = 0.3077-0.2476 0.2000 ( 3624 PWs) bands (ev): -43.7972 -43.7972 -43.7817 -43.7817 -20.5777 -20.5777 -20.5321 -20.5321 -19.9546 -19.9546 -19.9168 -19.9168 -19.8733 -19.8733 -19.8644 -19.8644 0.7300 0.7300 3.5686 3.5686 6.5010 6.5010 7.3792 7.3792 7.5121 7.5121 8.2458 8.2458 9.8230 9.8230 9.9479 9.9479 10.5054 10.5054 10.9446 10.9446 11.2921 11.2921 11.4087 11.4087 11.6068 11.6068 14.1296 14.1296 15.4081 15.4081 15.4998 15.4998 k = 0.3205-0.2579 0.2083 ( 3624 PWs) bands (ev): -43.7968 -43.7968 -43.7822 -43.7822 -20.5764 -20.5764 -20.5336 -20.5336 -19.9532 -19.9532 -19.9174 -19.9174 -19.8736 -19.8736 -19.8650 -19.8650 0.7953 0.7953 3.4501 3.4501 6.5317 6.5317 7.4009 7.4009 7.4657 7.4657 8.2153 8.2153 9.8239 9.8239 9.9528 9.9528 10.4782 10.4782 10.9064 10.9064 11.3246 11.3246 11.4308 11.4308 11.7637 11.7637 14.1350 14.1350 15.4271 15.4271 15.4965 15.4965 k = 0.3333-0.2682 0.2166 ( 3626 PWs) bands (ev): -43.7963 -43.7963 -43.7827 -43.7827 -20.5752 -20.5752 -20.5350 -20.5350 -19.9518 -19.9518 -19.9181 -19.9181 -19.8738 -19.8738 -19.8657 -19.8657 0.8630 0.8630 3.3328 3.3328 6.5627 6.5627 7.4207 7.4207 7.4237 7.4237 8.1845 8.1845 9.8246 9.8246 9.9584 9.9584 10.4500 10.4500 10.8622 10.8622 11.3563 11.3563 11.4533 11.4533 11.9242 11.9242 14.1398 14.1398 15.4498 15.4498 15.4959 15.4959 k = 0.3462-0.2785 0.2249 ( 3634 PWs) bands (ev): -43.7958 -43.7958 -43.7832 -43.7832 -20.5739 -20.5739 -20.5366 -20.5366 -19.9504 -19.9504 -19.9189 -19.9189 -19.8740 -19.8740 -19.8664 -19.8664 0.9330 0.9330 3.2168 3.2168 6.5937 6.5937 7.3778 7.3778 7.4466 7.4466 8.1535 8.1535 9.8265 9.8265 9.9649 9.9649 10.4213 10.4213 10.8129 10.8129 11.3870 11.3870 11.4756 11.4756 12.0865 12.0865 14.1428 14.1428 15.4753 15.4753 15.4986 15.4986 k = 0.3590-0.2888 0.2333 ( 3622 PWs) bands (ev): -43.7953 -43.7953 -43.7836 -43.7836 -20.5725 -20.5725 -20.5381 -20.5381 -19.9489 -19.9489 -19.9197 -19.9197 -19.8742 -19.8742 -19.8670 -19.8670 1.0054 1.0054 3.1022 3.1022 6.6248 6.6248 7.3362 7.3362 7.4707 7.4707 8.1222 8.1222 9.8305 9.8305 9.9723 9.9723 10.3924 10.3924 10.7595 10.7595 11.4164 11.4164 11.4973 11.4973 12.2494 12.2494 14.1429 14.1429 15.4974 15.4974 15.5103 15.5103 k = 0.3718-0.2992 0.2416 ( 3626 PWs) bands (ev): -43.7948 -43.7948 -43.7841 -43.7841 -20.5711 -20.5711 -20.5396 -20.5396 -19.9474 -19.9474 -19.9206 -19.9206 -19.8743 -19.8743 -19.8677 -19.8677 1.0800 1.0800 2.9890 2.9890 6.6558 6.6558 7.2961 7.2961 7.4954 7.4954 8.0908 8.0908 9.8374 9.8374 9.9806 9.9806 10.3636 10.3636 10.7029 10.7029 11.4444 11.4444 11.5179 11.5179 12.4115 12.4115 14.1393 14.1393 15.5088 15.5088 15.5376 15.5376 k = 0.3846-0.3095 0.2499 ( 3630 PWs) bands (ev): -43.7943 -43.7943 -43.7846 -43.7846 -20.5697 -20.5697 -20.5412 -20.5412 -19.9459 -19.9459 -19.9215 -19.9215 -19.8744 -19.8744 -19.8683 -19.8683 1.1568 1.1568 2.8771 2.8771 6.6867 6.6867 7.2575 7.2575 7.5209 7.5209 8.0593 8.0593 9.8477 9.8477 9.9898 9.9898 10.3352 10.3352 10.6439 10.6439 11.4707 11.4707 11.5371 11.5371 12.5716 12.5716 14.1310 14.1310 15.5214 15.5214 15.5677 15.5677 k = 0.3974-0.3198 0.2583 ( 3630 PWs) bands (ev): -43.7938 -43.7938 -43.7852 -43.7852 -20.5682 -20.5682 -20.5428 -20.5428 -19.9444 -19.9444 -19.9225 -19.9225 -19.8744 -19.8744 -19.8690 -19.8690 1.2358 1.2358 2.7668 2.7668 6.7173 6.7173 7.2201 7.2201 7.5471 7.5471 8.0277 8.0277 9.8618 9.8618 9.9999 9.9999 10.3074 10.3074 10.5834 10.5834 11.4953 11.4953 11.5547 11.5547 12.7286 12.7286 14.1175 14.1175 15.5374 15.5374 15.5972 15.5972 k = 0.4103-0.3301 0.2666 ( 3630 PWs) bands (ev): -43.7932 -43.7932 -43.7857 -43.7857 -20.5667 -20.5667 -20.5444 -20.5444 -19.9429 -19.9429 -19.9236 -19.9236 -19.8744 -19.8744 -19.8695 -19.8695 1.3170 1.3170 2.6580 2.6580 6.7478 6.7478 7.1841 7.1841 7.5740 7.5740 7.9960 7.9960 9.8800 9.8800 10.0110 10.0110 10.2803 10.2803 10.5222 10.5222 11.5179 11.5179 11.5703 11.5703 12.8812 12.8812 14.0978 14.0978 15.5570 15.5570 15.6248 15.6248 k = 0.4231-0.3404 0.2749 ( 3630 PWs) bands (ev): -43.7927 -43.7927 -43.7862 -43.7862 -20.5652 -20.5652 -20.5460 -20.5460 -19.9414 -19.9414 -19.9247 -19.9247 -19.8743 -19.8743 -19.8701 -19.8701 1.4003 1.4003 2.5508 2.5508 6.7781 6.7781 7.1492 7.1492 7.6014 7.6014 7.9644 7.9644 9.9023 9.9023 10.0232 10.0232 10.2540 10.2540 10.4609 10.4609 11.5384 11.5384 11.5836 11.5836 13.0282 13.0282 14.0715 14.0715 15.5802 15.5802 15.6500 15.6500 k = 0.4359-0.3507 0.2833 ( 3634 PWs) bands (ev): -43.7922 -43.7922 -43.7867 -43.7867 -20.5637 -20.5637 -20.5477 -20.5477 -19.9399 -19.9399 -19.9259 -19.9259 -19.8742 -19.8742 -19.8706 -19.8706 1.4857 1.4857 2.4451 2.4451 6.8081 6.8081 7.1154 7.1154 7.6295 7.6295 7.9328 7.9328 9.9288 9.9288 10.0364 10.0364 10.2287 10.2287 10.4002 10.4002 11.5566 11.5566 11.5946 11.5946 13.1684 13.1684 14.0377 14.0377 15.6061 15.6061 15.6725 15.6725 k = 0.4487-0.3611 0.2916 ( 3634 PWs) bands (ev): -43.7916 -43.7916 -43.7873 -43.7873 -20.5621 -20.5621 -20.5493 -20.5493 -19.9384 -19.9384 -19.9272 -19.9272 -19.8740 -19.8740 -19.8711 -19.8711 1.5731 1.5731 2.3411 2.3411 6.8381 6.8381 7.0825 7.0825 7.6581 7.6581 7.9013 7.9013 9.9597 9.9597 10.0506 10.0506 10.2043 10.2043 10.3407 10.3407 11.5725 11.5725 11.6031 11.6031 13.3008 13.3008 13.9958 13.9958 15.6336 15.6336 15.6916 15.6916 k = 0.4615-0.3714 0.2999 ( 3640 PWs) bands (ev): -43.7911 -43.7911 -43.7878 -43.7878 -20.5606 -20.5606 -20.5509 -20.5509 -19.9369 -19.9369 -19.9285 -19.9285 -19.8738 -19.8738 -19.8716 -19.8716 1.6625 1.6625 2.2388 2.2388 6.8679 6.8679 7.0504 7.0504 7.6872 7.6872 7.8699 7.8699 9.9947 9.9947 10.0660 10.0660 10.1810 10.1810 10.2829 10.2829 11.5858 11.5858 11.6089 11.6089 13.4241 13.4241 13.9450 13.9450 15.6604 15.6604 15.7059 15.7059 k = 0.4744-0.3817 0.3083 ( 3634 PWs) bands (ev): -43.7906 -43.7906 -43.7884 -43.7884 -20.5590 -20.5590 -20.5525 -20.5525 -19.9354 -19.9354 -19.9298 -19.9298 -19.8735 -19.8735 -19.8721 -19.8721 1.7539 1.7539 2.1382 2.1382 6.8977 6.8977 7.0190 7.0190 7.7167 7.7167 7.8387 7.8387 10.0336 10.0336 10.0827 10.0827 10.1588 10.1588 10.2274 10.2274 11.5965 11.5965 11.6120 11.6120 13.5376 13.5376 13.8846 13.8846 15.6840 15.6840 15.7147 15.7147 k = 0.4872-0.3920 0.3166 ( 3628 PWs) bands (ev): -43.7900 -43.7900 -43.7889 -43.7889 -20.5574 -20.5574 -20.5541 -20.5541 -19.9339 -19.9339 -19.9311 -19.9311 -19.8732 -19.8732 -19.8725 -19.8725 1.8472 1.8472 2.0394 2.0394 6.9276 6.9276 6.9881 6.9881 7.7467 7.7467 7.8077 7.8077 10.0760 10.0760 10.1008 10.1008 10.1375 10.1375 10.1747 10.1747 11.6045 11.6045 11.6123 11.6123 13.6406 13.6406 13.8140 13.8140 15.7021 15.7021 15.7173 15.7173 k = 0.5000-0.4023 0.3249 ( 3634 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5558 -20.5558 -20.5558 -20.5558 -19.9325 -19.9325 -19.9325 -19.9325 -19.8729 -19.8729 -19.8729 -19.8729 1.9423 1.9423 1.9423 1.9423 6.9577 6.9577 6.9577 6.9577 7.7771 7.7771 7.7771 7.7771 10.1150 10.1150 10.1150 10.1150 10.1273 10.1273 10.1273 10.1273 11.6098 11.6098 11.6098 11.6098 13.7327 13.7327 13.7327 13.7327 15.7132 15.7132 15.7132 15.7132 k = 0.5000-0.4023 0.3249 ( 3634 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5558 -20.5558 -20.5558 -20.5558 -19.9325 -19.9325 -19.9325 -19.9325 -19.8729 -19.8729 -19.8729 -19.8729 1.9423 1.9423 1.9423 1.9423 6.9577 6.9577 6.9577 6.9577 7.7771 7.7771 7.7771 7.7771 10.1150 10.1150 10.1150 10.1150 10.1273 10.1273 10.1273 10.1273 11.6098 11.6098 11.6098 11.6098 13.7327 13.7327 13.7327 13.7327 15.7132 15.7132 15.7132 15.7132 k = 0.5135-0.3922 0.3167 ( 3626 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5559 -20.5559 -20.5556 -20.5556 -19.9343 -19.9343 -19.9307 -19.9307 -19.8745 -19.8745 -19.8712 -19.8712 1.9436 1.9436 1.9437 1.9437 6.9420 6.9420 6.9427 6.9427 7.7929 7.7929 7.7934 7.7934 10.0353 10.0353 10.0381 10.0381 10.2030 10.2030 10.2059 10.2059 11.6102 11.6102 11.6102 11.6102 13.7321 13.7321 13.7326 13.7326 15.7026 15.7026 15.7100 15.7100 k = 0.5270-0.3820 0.3085 ( 3632 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5561 -20.5561 -20.5555 -20.5555 -19.9360 -19.9360 -19.9289 -19.9289 -19.8762 -19.8762 -19.8696 -19.8696 1.9477 1.9477 1.9478 1.9478 6.8987 6.8987 6.9000 6.9000 7.8378 7.8378 7.8385 7.8385 9.9501 9.9501 9.9529 9.9529 10.2847 10.2847 10.2876 10.2876 11.6112 11.6112 11.6113 11.6113 13.7305 13.7305 13.7315 13.7315 15.6803 15.6803 15.6923 15.6923 k = 0.5405-0.3718 0.3003 ( 3636 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5563 -20.5563 -20.5554 -20.5554 -19.9378 -19.9378 -19.9271 -19.9271 -19.8778 -19.8778 -19.8681 -19.8681 1.9544 1.9544 1.9546 1.9546 6.8349 6.8349 6.8366 6.8366 7.9046 7.9046 7.9056 7.9056 9.8640 9.8640 9.8667 9.8667 10.3651 10.3651 10.3681 10.3681 11.6130 11.6130 11.6131 11.6131 13.7280 13.7280 13.7295 13.7295 15.6487 15.6487 15.6627 15.6627 k = 0.5541-0.3617 0.2921 ( 3630 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5565 -20.5565 -20.5554 -20.5554 -19.9394 -19.9394 -19.9253 -19.9253 -19.8794 -19.8794 -19.8665 -19.8665 1.9638 1.9638 1.9641 1.9641 6.7574 6.7574 6.7593 6.7593 7.9866 7.9866 7.9877 7.9877 9.7771 9.7771 9.7799 9.7799 10.4442 10.4442 10.4472 10.4472 11.6155 11.6155 11.6156 11.6156 13.7244 13.7244 13.7264 13.7264 15.6103 15.6103 15.6250 15.6250 k = 0.5676-0.3515 0.2839 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5567 -20.5567 -20.5553 -20.5553 -19.9410 -19.9410 -19.9235 -19.9235 -19.8810 -19.8810 -19.8650 -19.8650 1.9758 1.9758 1.9763 1.9763 6.6710 6.6710 6.6732 6.6732 8.0786 8.0786 8.0798 8.0798 9.6897 9.6897 9.6925 9.6925 10.5218 10.5218 10.5249 10.5249 11.6187 11.6187 11.6189 11.6189 13.7196 13.7196 13.7219 13.7219 15.5673 15.5673 15.5822 15.5822 k = 0.5811-0.3413 0.2757 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5570 -20.5570 -20.5553 -20.5553 -19.9425 -19.9425 -19.9218 -19.9218 -19.8826 -19.8826 -19.8636 -19.8636 1.9906 1.9906 1.9912 1.9912 6.5791 6.5791 6.5815 6.5815 8.1774 8.1774 8.1785 8.1785 9.6021 9.6021 9.6048 9.6048 10.5980 10.5980 10.6012 10.6012 11.6227 11.6227 11.6230 11.6230 13.7133 13.7133 13.7160 13.7160 15.5216 15.5216 15.5365 15.5365 k = 0.5946-0.3312 0.2675 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5572 -20.5572 -20.5553 -20.5553 -19.9439 -19.9439 -19.9201 -19.9201 -19.8841 -19.8841 -19.8622 -19.8622 2.0080 2.0080 2.0087 2.0087 6.4836 6.4836 6.4862 6.4862 8.2807 8.2807 8.2818 8.2818 9.5144 9.5144 9.5171 9.5171 10.6727 10.6727 10.6760 10.6760 11.6275 11.6275 11.6278 11.6278 13.7053 13.7053 13.7083 13.7083 15.4749 15.4749 15.4897 15.4897 k = 0.6081-0.3210 0.2592 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5575 -20.5575 -20.5553 -20.5553 -19.9453 -19.9453 -19.9185 -19.9185 -19.8855 -19.8855 -19.8609 -19.8609 2.0281 2.0281 2.0289 2.0289 6.3860 6.3860 6.3887 6.3887 8.3870 8.3870 8.3880 8.3880 9.4269 9.4269 9.4296 9.4296 10.7459 10.7459 10.7493 10.7493 11.6330 11.6330 11.6335 11.6335 13.6953 13.6953 13.6986 13.6986 15.4284 15.4284 15.4431 15.4431 k = 0.6216-0.3108 0.2510 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5578 -20.5578 -20.5553 -20.5553 -19.9466 -19.9466 -19.9171 -19.9171 -19.8868 -19.8868 -19.8596 -19.8596 2.0509 2.0509 2.0517 2.0517 6.2869 6.2869 6.2898 6.2898 8.4952 8.4952 8.4962 8.4962 9.3402 9.3402 9.3428 9.3428 10.8176 10.8176 10.8211 10.8211 11.6393 11.6393 11.6399 11.6399 13.6832 13.6832 13.6866 13.6866 15.3833 15.3833 15.3978 15.3978 k = 0.6351-0.3007 0.2428 ( 3610 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5580 -20.5580 -20.5554 -20.5554 -19.9479 -19.9479 -19.9158 -19.9158 -19.8878 -19.8878 -19.8584 -19.8584 2.0762 2.0762 2.0772 2.0772 6.1871 6.1871 6.1901 6.1901 8.6043 8.6043 8.6052 8.6052 9.2547 9.2547 9.2573 9.2573 10.8878 10.8878 10.8914 10.8914 11.6465 11.6465 11.6472 11.6472 13.6686 13.6686 13.6720 13.6720 15.3404 15.3404 15.3546 15.3546 k = 0.6486-0.2905 0.2346 ( 3604 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5583 -20.5583 -20.5555 -20.5555 -19.9490 -19.9490 -19.9148 -19.9148 -19.8886 -19.8886 -19.8572 -19.8572 2.1042 2.1042 2.1052 2.1052 6.0868 6.0868 6.0900 6.0900 8.7128 8.7128 8.7137 8.7137 9.1716 9.1716 9.1741 9.1741 10.9564 10.9564 10.9602 10.9602 11.6545 11.6545 11.6554 11.6554 13.6514 13.6514 13.6548 13.6548 15.3003 15.3003 15.3140 15.3140 k = 0.6622-0.2803 0.2264 ( 3602 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5586 -20.5586 -20.5556 -20.5556 -19.9500 -19.9500 -19.9142 -19.9142 -19.8890 -19.8890 -19.8562 -19.8562 2.1347 2.1347 2.1358 2.1358 5.9864 5.9864 5.9897 5.9897 8.8169 8.8169 8.8180 8.8180 9.0946 9.0946 9.0968 9.0968 11.0234 11.0234 11.0273 11.0273 11.6633 11.6633 11.6645 11.6645 13.6315 13.6315 13.6347 13.6347 15.2634 15.2634 15.2764 15.2764 k = 0.6757-0.2702 0.2182 ( 3602 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5589 -20.5589 -20.5557 -20.5557 -19.9510 -19.9510 -19.9139 -19.9139 -19.8891 -19.8891 -19.8552 -19.8552 2.1678 2.1678 2.1690 2.1690 5.8860 5.8860 5.8894 5.8894 8.8951 8.8951 8.8971 8.8971 9.0451 9.0451 9.0463 9.0463 11.0886 11.0886 11.0926 11.0926 11.6730 11.6730 11.6744 11.6744 13.6090 13.6090 13.6119 13.6119 15.2299 15.2299 15.2420 15.2420 k = 0.6892-0.2600 0.2100 ( 3606 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5592 -20.5592 -20.5559 -20.5559 -19.9520 -19.9520 -19.9141 -19.9141 -19.8888 -19.8888 -19.8542 -19.8542 2.2034 2.2034 2.2048 2.2048 5.7858 5.7858 5.7892 5.7892 8.8788 8.8788 8.8817 8.8817 9.0916 9.0916 9.0918 9.0918 11.1518 11.1518 11.1561 11.1561 11.6837 11.6837 11.6853 11.6853 13.5838 13.5838 13.5863 13.5863 15.1996 15.1996 15.2105 15.2105 k = 0.7027-0.2498 0.2018 ( 3602 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5594 -20.5594 -20.5561 -20.5561 -19.9528 -19.9528 -19.9146 -19.9146 -19.8882 -19.8882 -19.8534 -19.8534 2.2416 2.2416 2.2430 2.2430 5.6859 5.6859 5.6894 5.6894 8.8117 8.8117 8.8146 8.8146 9.1904 9.1904 9.1905 9.1905 11.2129 11.2129 11.2173 11.2173 11.6952 11.6952 11.6972 11.6972 13.5563 13.5563 13.5584 13.5584 15.1720 15.1720 15.1814 15.1814 k = 0.7162-0.2397 0.1936 ( 3598 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5597 -20.5597 -20.5563 -20.5563 -19.9535 -19.9535 -19.9154 -19.9154 -19.8872 -19.8872 -19.8526 -19.8526 2.2822 2.2822 2.2837 2.2837 5.5863 5.5863 5.5898 5.5898 8.7375 8.7375 8.7402 8.7402 9.2979 9.2979 9.2980 9.2980 11.2716 11.2716 11.2762 11.2762 11.7076 11.7076 11.7100 11.7100 13.5269 13.5269 13.5284 13.5284 15.1462 15.1462 15.1534 15.1534 k = 0.7297-0.2295 0.1854 ( 3598 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5600 -20.5600 -20.5565 -20.5565 -19.9541 -19.9541 -19.9165 -19.9165 -19.8860 -19.8860 -19.8519 -19.8519 2.3253 2.3253 2.3269 2.3269 5.4870 5.4870 5.4907 5.4907 8.6630 8.6630 8.6657 8.6657 9.4071 9.4071 9.4072 9.4072 11.3274 11.3274 11.3322 11.3322 11.7208 11.7208 11.7237 11.7237 13.4960 13.4960 13.4969 13.4969 15.1207 15.1207 15.1250 15.1250 k = 0.7432-0.2194 0.1772 ( 3606 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5603 -20.5603 -20.5568 -20.5568 -19.9547 -19.9547 -19.9179 -19.9179 -19.8846 -19.8846 -19.8513 -19.8513 2.3708 2.3708 2.3725 2.3725 5.3883 5.3883 5.3920 5.3920 8.5900 8.5900 8.5926 8.5926 9.5164 9.5164 9.5165 9.5165 11.3800 11.3800 11.3851 11.3851 11.7348 11.7348 11.7382 11.7382 13.4644 13.4644 13.4646 13.4646 15.0937 15.0937 15.0947 15.0947 k = 0.7568-0.2092 0.1689 ( 3614 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5605 -20.5605 -20.5570 -20.5570 -19.9552 -19.9552 -19.9194 -19.9194 -19.8831 -19.8831 -19.8508 -19.8508 2.4187 2.4187 2.4204 2.4204 5.2899 5.2899 5.2937 5.2937 8.5191 8.5191 8.5216 8.5216 9.6250 9.6250 9.6253 9.6253 11.4290 11.4290 11.4343 11.4343 11.7493 11.7493 11.7532 11.7532 13.4323 13.4323 13.4327 13.4327 15.0614 15.0614 15.0638 15.0638 k = 0.7703-0.1990 0.1607 ( 3612 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5608 -20.5608 -20.5573 -20.5573 -19.9555 -19.9555 -19.9209 -19.9209 -19.8815 -19.8815 -19.8503 -19.8503 2.4689 2.4689 2.4708 2.4708 5.1921 5.1921 5.1959 5.1959 8.4507 8.4507 8.4532 8.4532 9.7327 9.7327 9.7331 9.7331 11.4740 11.4740 11.4795 11.4795 11.7640 11.7640 11.7685 11.7685 13.4008 13.4008 13.4020 13.4020 15.0256 15.0256 15.0306 15.0306 k = 0.7838-0.1889 0.1525 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5610 -20.5610 -20.5576 -20.5576 -19.9558 -19.9558 -19.9226 -19.9226 -19.8798 -19.8798 -19.8500 -19.8500 2.5214 2.5214 2.5234 2.5234 5.0948 5.0948 5.0986 5.0986 8.3852 8.3852 8.3876 8.3876 9.8391 9.8391 9.8396 9.8396 11.5145 11.5145 11.5202 11.5202 11.7784 11.7784 11.7835 11.7835 13.3711 13.3711 13.3729 13.3729 14.9883 14.9883 14.9952 14.9952 k = 0.7973-0.1787 0.1443 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5612 -20.5612 -20.5579 -20.5579 -19.9559 -19.9559 -19.9243 -19.9243 -19.8781 -19.8781 -19.8498 -19.8498 2.5761 2.5761 2.5782 2.5782 4.9981 4.9981 5.0019 5.0019 8.3228 8.3228 8.3251 8.3251 9.9441 9.9441 9.9448 9.9448 11.5506 11.5506 11.5564 11.5564 11.7917 11.7917 11.7974 11.7974 13.3441 13.3441 13.3466 13.3466 14.9510 14.9510 14.9590 14.9590 k = 0.8108-0.1685 0.1361 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5614 -20.5614 -20.5582 -20.5582 -19.9560 -19.9560 -19.9260 -19.9260 -19.8764 -19.8764 -19.8496 -19.8496 2.6331 2.6331 2.6353 2.6353 4.9019 4.9019 4.9058 4.9058 8.2637 8.2637 8.2658 8.2658 10.0475 10.0475 10.0483 10.0483 11.5820 11.5820 11.5879 11.5879 11.8031 11.8031 11.8093 11.8093 13.3208 13.3208 13.3237 13.3237 14.9149 14.9149 14.9234 14.9234 k = 0.8243-0.1584 0.1279 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5616 -20.5616 -20.5585 -20.5585 -19.9560 -19.9560 -19.9277 -19.9277 -19.8747 -19.8747 -19.8495 -19.8495 2.6922 2.6922 2.6945 2.6945 4.8064 4.8064 4.8102 4.8102 8.2080 8.2080 8.2100 8.2100 10.1492 10.1492 10.1501 10.1501 11.6088 11.6088 11.6147 11.6147 11.8116 11.8116 11.8182 11.8182 13.3017 13.3017 13.3052 13.3052 14.8810 14.8810 14.8896 14.8896 k = 0.8378-0.1482 0.1197 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5618 -20.5618 -20.5588 -20.5588 -19.9559 -19.9559 -19.9294 -19.9294 -19.8729 -19.8729 -19.8495 -19.8495 2.7535 2.7535 2.7559 2.7559 4.7114 4.7114 4.7153 4.7153 8.1559 8.1559 8.1578 8.1578 10.2490 10.2490 10.2501 10.2501 11.6309 11.6309 11.6367 11.6367 11.8163 11.8163 11.8232 11.8232 13.2876 13.2876 13.2915 13.2915 14.8499 14.8499 14.8583 14.8583 k = 0.8514-0.1380 0.1115 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5618 -20.5618 -20.5591 -20.5591 -19.9556 -19.9556 -19.9311 -19.9311 -19.8712 -19.8712 -19.8495 -19.8495 2.8168 2.8168 2.8193 2.8193 4.6172 4.6172 4.6211 4.6211 8.1075 8.1075 8.1093 8.1093 10.3469 10.3469 10.3481 10.3481 11.6481 11.6481 11.6536 11.6536 11.8171 11.8171 11.8241 11.8241 13.2787 13.2787 13.2828 13.2828 14.8221 14.8221 14.8301 14.8301 k = 0.8649-0.1279 0.1033 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5620 -20.5620 -20.5594 -20.5594 -19.9553 -19.9553 -19.9328 -19.9328 -19.8695 -19.8695 -19.8496 -19.8496 2.8821 2.8821 2.8846 2.8846 4.5237 4.5237 4.5276 4.5276 8.0630 8.0630 8.0646 8.0646 10.4428 10.4428 10.4442 10.4442 11.6594 11.6594 11.6644 11.6644 11.8143 11.8143 11.8211 11.8211 13.2749 13.2749 13.2791 13.2791 14.7981 14.7981 14.8055 14.8055 k = 0.8784-0.1177 0.0951 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5620 -20.5620 -20.5596 -20.5596 -19.9549 -19.9549 -19.9345 -19.9345 -19.8679 -19.8679 -19.8499 -19.8499 2.9494 2.9494 2.9520 2.9520 4.4310 4.4310 4.4349 4.4349 8.0224 8.0224 8.0239 8.0239 10.5367 10.5367 10.5382 10.5382 11.6633 11.6633 11.6674 11.6674 11.8098 11.8098 11.8159 11.8159 13.2756 13.2756 13.2798 13.2798 14.7779 14.7779 14.7847 14.7847 k = 0.8919-0.1075 0.0869 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5621 -20.5621 -20.5599 -20.5599 -19.9545 -19.9545 -19.9361 -19.9361 -19.8664 -19.8664 -19.8502 -19.8502 3.0185 3.0185 3.0212 3.0212 4.3391 4.3391 4.3429 4.3429 7.9859 7.9859 7.9873 7.9873 10.6283 10.6283 10.6300 10.6300 11.6577 11.6577 11.6604 11.6604 11.8058 11.8058 11.8108 11.8108 13.2802 13.2802 13.2843 13.2843 14.7617 14.7617 14.7678 14.7678 k = 0.9054-0.0974 0.0786 ( 3624 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5621 -20.5621 -20.5602 -20.5602 -19.9539 -19.9539 -19.9377 -19.9377 -19.8648 -19.8648 -19.8506 -19.8506 3.0894 3.0894 3.0922 3.0922 4.2482 4.2482 4.2519 4.2519 7.9535 7.9535 7.9547 7.9547 10.7178 10.7178 10.7196 10.7196 11.6406 11.6406 11.6417 11.6417 11.8043 11.8043 11.8079 11.8079 13.2877 13.2877 13.2914 13.2914 14.7493 14.7493 14.7546 14.7546 k = 0.9189-0.0872 0.0704 ( 3620 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5621 -20.5621 -20.5604 -20.5604 -19.9532 -19.9532 -19.9393 -19.9393 -19.8633 -19.8633 -19.8510 -19.8510 3.1620 3.1620 3.1649 3.1649 4.1582 4.1582 4.1619 4.1619 7.9253 7.9253 7.9263 7.9263 10.8050 10.8050 10.8069 10.8069 11.6119 11.6119 11.6122 11.6122 11.8056 11.8056 11.8079 11.8079 13.2968 13.2968 13.3002 13.3002 14.7403 14.7403 14.7448 14.7448 k = 0.9324-0.0771 0.0622 ( 3616 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5621 -20.5621 -20.5607 -20.5607 -19.9525 -19.9525 -19.9408 -19.9408 -19.8619 -19.8619 -19.8516 -19.8516 3.2362 3.2362 3.2392 3.2392 4.0693 4.0693 4.0729 4.0729 7.9014 7.9014 7.9022 7.9022 10.8898 10.8898 10.8919 10.8919 11.5726 11.5726 11.5738 11.5738 11.8086 11.8086 11.8100 11.8100 13.3066 13.3066 13.3095 13.3095 14.7344 14.7344 14.7381 14.7381 k = 0.9459-0.0669 0.0540 ( 3624 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5621 -20.5621 -20.5609 -20.5609 -19.9517 -19.9517 -19.9423 -19.9423 -19.8605 -19.8605 -19.8523 -19.8523 3.3119 3.3119 3.3149 3.3149 3.9816 3.9816 3.9852 3.9852 7.8817 7.8817 7.8824 7.8824 10.9721 10.9721 10.9742 10.9742 11.5255 11.5255 11.5274 11.5274 11.8122 11.8122 11.8130 11.8130 13.3160 13.3160 13.3184 13.3184 14.7309 14.7309 14.7338 14.7338 k = 0.9595-0.0567 0.0458 ( 3628 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5620 -20.5620 -20.5611 -20.5611 -19.9507 -19.9507 -19.9437 -19.9437 -19.8593 -19.8593 -19.8531 -19.8531 3.3887 3.3887 3.3918 3.3918 3.8955 3.8955 3.8990 3.8990 7.8664 7.8664 7.8670 7.8670 11.0515 11.0515 11.0537 11.0537 11.4723 11.4723 11.4746 11.4746 11.8156 11.8156 11.8160 11.8160 13.3242 13.3242 13.3260 13.3260 14.7291 14.7291 14.7313 14.7313 k = 0.9730-0.0466 0.0376 ( 3630 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5619 -20.5619 -20.5613 -20.5613 -19.9498 -19.9498 -19.9450 -19.9450 -19.8581 -19.8581 -19.8539 -19.8539 3.4659 3.4659 3.4690 3.4690 3.8116 3.8116 3.8150 3.8150 7.8555 7.8555 7.8559 7.8559 11.1275 11.1275 11.1298 11.1298 11.4145 11.4145 11.4169 11.4169 11.8183 11.8183 11.8185 11.8185 13.3306 13.3306 13.3318 13.3318 14.7285 14.7285 14.7299 14.7299 k = 0.9865-0.0364 0.0294 ( 3634 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5618 -20.5618 -20.5615 -20.5615 -19.9487 -19.9487 -19.9463 -19.9463 -19.8569 -19.8569 -19.8548 -19.8548 3.5409 3.5409 3.5438 3.5438 3.7330 3.7330 3.7359 3.7359 7.8490 7.8490 7.8492 7.8492 11.1980 11.1980 11.2002 11.2002 11.3549 11.3549 11.3571 11.3571 11.8201 11.8201 11.8201 11.8201 13.3348 13.3348 13.3354 13.3354 14.7285 14.7285 14.7292 14.7292 k = 1.0000-0.0262 0.0212 ( 3630 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5617 -20.5617 -20.5617 -20.5617 -19.9475 -19.9475 -19.9475 -19.9475 -19.8558 -19.8558 -19.8558 -19.8558 3.5894 3.5894 3.5894 3.5894 3.6860 3.6860 3.6860 3.6860 7.8469 7.8469 7.8469 7.8469 11.2433 11.2433 11.2433 11.2433 11.3154 11.3154 11.3154 11.3154 11.8207 11.8207 11.8207 11.8207 13.3364 13.3364 13.3364 13.3364 14.7288 14.7288 14.7288 14.7288 k = 1.0000-0.0262 0.0212 ( 3630 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5617 -20.5617 -20.5617 -20.5617 -19.9475 -19.9475 -19.9475 -19.9475 -19.8558 -19.8558 -19.8558 -19.8558 3.5894 3.5894 3.5894 3.5894 3.6860 3.6860 3.6860 3.6860 7.8469 7.8469 7.8469 7.8469 11.2433 11.2433 11.2433 11.2433 11.3154 11.3154 11.3154 11.3154 11.8207 11.8207 11.8207 11.8207 13.3364 13.3364 13.3364 13.3364 14.7288 14.7288 14.7288 14.7288 k = 0.9872-0.0159 0.0129 ( 3630 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5618 -20.5618 -20.5615 -20.5615 -19.9486 -19.9486 -19.9464 -19.9464 -19.8568 -19.8568 -19.8549 -19.8549 3.5406 3.5406 3.5441 3.5441 3.7326 3.7326 3.7363 3.7363 7.8484 7.8484 7.8484 7.8484 11.2376 11.2376 11.2384 11.2384 11.3123 11.3123 11.3128 11.3128 11.8268 11.8268 11.8275 11.8275 13.3350 13.3350 13.3350 13.3350 14.7262 14.7262 14.7269 14.7269 k = 0.9744-0.0056 0.0045 ( 3634 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5619 -20.5619 -20.5614 -20.5614 -19.9495 -19.9495 -19.9453 -19.9453 -19.8579 -19.8579 -19.8541 -19.8541 3.4657 3.4657 3.4694 3.4694 3.8112 3.8112 3.8154 3.8154 7.8531 7.8531 7.8531 7.8531 11.2206 11.2206 11.2219 11.2219 11.3057 11.3057 11.3066 11.3066 11.8449 11.8449 11.8463 11.8463 13.3309 13.3309 13.3309 13.3309 14.7190 14.7190 14.7203 14.7203 k = 0.9615 0.0047-0.0038 ( 3638 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5620 -20.5620 -20.5613 -20.5613 -19.9504 -19.9504 -19.9441 -19.9441 -19.8590 -19.8590 -19.8534 -19.8534 3.3884 3.3884 3.3922 3.3922 3.8952 3.8952 3.8995 3.8995 7.8609 7.8609 7.8610 7.8610 11.1914 11.1914 11.1930 11.1930 11.2989 11.2989 11.2999 11.2999 11.8724 11.8724 11.8743 11.8743 13.3240 13.3240 13.3241 13.3241 14.7073 14.7073 14.7094 14.7094 k = 0.9487 0.0150-0.0121 ( 3634 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5620 -20.5620 -20.5610 -20.5610 -19.9512 -19.9512 -19.9429 -19.9429 -19.8601 -19.8601 -19.8527 -19.8527 3.3116 3.3116 3.3153 3.3153 3.9814 3.9814 3.9858 3.9858 7.8718 7.8718 7.8719 7.8719 11.1515 11.1515 11.1530 11.1530 11.2932 11.2932 11.2941 11.2941 11.9061 11.9061 11.9086 11.9086 13.3144 13.3144 13.3145 13.3145 14.6915 14.6915 14.6942 14.6942 k = 0.9359 0.0254-0.0205 ( 3634 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5621 -20.5621 -20.5608 -20.5608 -19.9519 -19.9519 -19.9415 -19.9415 -19.8613 -19.8613 -19.8522 -19.8522 3.2359 3.2359 3.2395 3.2395 4.0693 4.0693 4.0738 4.0738 7.8857 7.8857 7.8858 7.8858 11.1034 11.1034 11.1048 11.1048 11.2882 11.2882 11.2889 11.2889 11.9436 11.9436 11.9465 11.9465 13.3020 13.3020 13.3023 13.3023 14.6718 14.6718 14.6753 14.6753 k = 0.9231 0.0357-0.0288 ( 3632 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5621 -20.5621 -20.5606 -20.5606 -19.9526 -19.9526 -19.9402 -19.9402 -19.8626 -19.8626 -19.8516 -19.8516 3.1615 3.1615 3.1650 3.1650 4.1586 4.1586 4.1631 4.1631 7.9026 7.9026 7.9027 7.9027 11.0493 11.0493 11.0504 11.0504 11.2834 11.2834 11.2840 11.2840 11.9826 11.9826 11.9859 11.9859 13.2872 13.2872 13.2876 13.2876 14.6490 14.6490 14.6532 14.6532 k = 0.9103 0.0460-0.0371 ( 3626 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5620 -20.5620 -20.5604 -20.5604 -19.9531 -19.9531 -19.9387 -19.9387 -19.8639 -19.8639 -19.8512 -19.8512 3.0887 3.0887 3.0921 3.0921 4.2490 4.2490 4.2536 4.2536 7.9224 7.9224 7.9224 7.9224 10.9906 10.9906 10.9915 10.9915 11.2786 11.2786 11.2790 11.2790 12.0213 12.0213 12.0251 12.0251 13.2701 13.2701 13.2707 13.2707 14.6239 14.6239 14.6288 14.6288 k = 0.8974 0.0563-0.0455 ( 3622 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5620 -20.5620 -20.5601 -20.5601 -19.9537 -19.9537 -19.9373 -19.9373 -19.8653 -19.8653 -19.8508 -19.8508 3.0175 3.0175 3.0208 3.0208 4.3406 4.3406 4.3452 4.3452 7.9449 7.9449 7.9450 7.9450 10.9283 10.9283 10.9288 10.9288 11.2735 11.2735 11.2738 11.2738 12.0581 12.0581 12.0623 12.0623 13.2513 13.2513 13.2521 13.2521 14.5974 14.5974 14.6030 14.6030 k = 0.8846 0.0666-0.0538 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5619 -20.5619 -20.5598 -20.5598 -19.9541 -19.9541 -19.9358 -19.9358 -19.8668 -19.8668 -19.8505 -19.8505 2.9480 2.9480 2.9512 2.9512 4.4332 4.4332 4.4379 4.4379 7.9701 7.9701 7.9702 7.9702 10.8629 10.8629 10.8632 10.8632 11.2682 11.2682 11.2683 11.2683 12.0917 12.0917 12.0963 12.0963 13.2317 13.2317 13.2327 13.2327 14.5707 14.5707 14.5769 14.5769 k = 0.8718 0.0769-0.0621 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5618 -20.5618 -20.5596 -20.5596 -19.9544 -19.9544 -19.9342 -19.9342 -19.8683 -19.8683 -19.8503 -19.8503 2.8803 2.8803 2.8834 2.8834 4.5268 4.5268 4.5315 4.5315 7.9979 7.9979 7.9979 7.9979 10.7948 10.7948 10.7950 10.7950 11.2625 11.2625 11.2625 11.2625 12.1206 12.1206 12.1255 12.1255 13.2122 13.2122 13.2135 13.2135 14.5449 14.5449 14.5517 14.5517 k = 0.8590 0.0872-0.0705 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5617 -20.5617 -20.5593 -20.5593 -19.9547 -19.9547 -19.9327 -19.9327 -19.8698 -19.8698 -19.8502 -19.8502 2.8144 2.8144 2.8174 2.8174 4.6213 4.6213 4.6261 4.6261 8.0280 8.0280 8.0281 8.0281 10.7241 10.7241 10.7247 10.7247 11.2564 11.2564 11.2565 11.2565 12.1435 12.1435 12.1485 12.1485 13.1942 13.1942 13.1956 13.1956 14.5208 14.5208 14.5283 14.5283 k = 0.8462 0.0976-0.0788 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5616 -20.5616 -20.5590 -20.5590 -19.9549 -19.9549 -19.9311 -19.9311 -19.8714 -19.8714 -19.8502 -19.8502 2.7503 2.7503 2.7532 2.7532 4.7168 4.7168 4.7216 4.7216 8.0602 8.0602 8.0604 8.0604 10.6513 10.6513 10.6522 10.6522 11.2500 11.2500 11.2502 11.2502 12.1589 12.1589 12.1640 12.1640 13.1791 13.1791 13.1805 13.1805 14.4994 14.4994 14.5076 14.5076 k = 0.8333 0.1079-0.0871 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5615 -20.5615 -20.5588 -20.5588 -19.9550 -19.9550 -19.9295 -19.9295 -19.8731 -19.8731 -19.8502 -19.8502 2.6882 2.6882 2.6910 2.6910 4.8132 4.8132 4.8180 4.8180 8.0944 8.0944 8.0948 8.0948 10.5764 10.5764 10.5778 10.5778 11.2433 11.2433 11.2436 11.2436 12.1659 12.1659 12.1709 12.1709 13.1682 13.1682 13.1693 13.1693 14.4812 14.4812 14.4901 14.4901 k = 0.8205 0.1182-0.0955 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5613 -20.5613 -20.5585 -20.5585 -19.9550 -19.9550 -19.9278 -19.9278 -19.8747 -19.8747 -19.8503 -19.8503 2.6280 2.6280 2.6307 2.6307 4.9104 4.9104 4.9152 4.9152 8.1304 8.1304 8.1308 8.1308 10.4996 10.4996 10.5015 10.5015 11.2363 11.2363 11.2366 11.2366 12.1638 12.1638 12.1685 12.1685 13.1624 13.1624 13.1631 13.1631 14.4669 14.4669 14.4765 14.4765 k = 0.8077 0.1285-0.1038 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5612 -20.5612 -20.5582 -20.5582 -19.9550 -19.9550 -19.9262 -19.9262 -19.8764 -19.8764 -19.8505 -19.8505 2.5699 2.5699 2.5724 2.5724 5.0084 5.0084 5.0132 5.0132 8.1677 8.1677 8.1683 8.1683 10.4212 10.4212 10.4235 10.4235 11.2289 11.2289 11.2294 11.2294 12.1524 12.1524 12.1567 12.1567 13.1621 13.1621 13.1621 13.1621 14.4568 14.4568 14.4673 14.4673 k = 0.7949 0.1388-0.1121 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5610 -20.5610 -20.5580 -20.5580 -19.9549 -19.9549 -19.9246 -19.9246 -19.8781 -19.8781 -19.8508 -19.8508 2.5138 2.5138 2.5162 2.5162 5.1073 5.1073 5.1121 5.1121 8.2061 8.2061 8.2069 8.2069 10.3412 10.3412 10.3441 10.3441 11.2213 11.2213 11.2218 11.2218 12.1323 12.1323 12.1360 12.1360 13.1663 13.1663 13.1671 13.1671 14.4514 14.4514 14.4628 14.4628 k = 0.7821 0.1491-0.1205 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5608 -20.5608 -20.5577 -20.5577 -19.9546 -19.9546 -19.9229 -19.9229 -19.8797 -19.8797 -19.8511 -19.8511 2.4598 2.4598 2.4621 2.4621 5.2069 5.2069 5.2117 5.2117 8.2451 8.2451 8.2462 8.2462 10.2600 10.2600 10.2635 10.2635 11.2133 11.2133 11.2139 11.2139 12.1044 12.1044 12.1074 12.1074 13.1748 13.1748 13.1766 13.1766 14.4511 14.4511 14.4634 14.4634 k = 0.7692 0.1595-0.1288 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5605 -20.5605 -20.5574 -20.5574 -19.9543 -19.9543 -19.9214 -19.9214 -19.8814 -19.8814 -19.8515 -19.8515 2.4079 2.4079 2.4101 2.4101 5.3073 5.3073 5.3120 5.3120 8.2843 8.2843 8.2856 8.2856 10.1778 10.1778 10.1820 10.1820 11.2048 11.2048 11.2055 11.2055 12.0701 12.0701 12.0725 12.0725 13.1865 13.1865 13.1893 13.1893 14.4563 14.4563 14.4697 14.4697 k = 0.7564 0.1698-0.1371 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5603 -20.5603 -20.5572 -20.5572 -19.9540 -19.9540 -19.9198 -19.9198 -19.8830 -19.8830 -19.8520 -19.8520 2.3582 2.3582 2.3603 2.3603 5.4084 5.4084 5.4131 5.4131 8.3230 8.3230 8.3247 8.3247 10.0952 10.0952 10.1000 10.1000 11.1959 11.1959 11.1967 11.1967 12.0310 12.0310 12.0326 12.0326 13.2000 13.2000 13.2038 13.2038 14.4676 14.4676 14.4819 14.4819 k = 0.7436 0.1801-0.1454 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5601 -20.5601 -20.5569 -20.5569 -19.9535 -19.9535 -19.9183 -19.9183 -19.8846 -19.8846 -19.8526 -19.8526 2.3107 2.3107 2.3127 2.3127 5.5103 5.5103 5.5150 5.5150 8.3605 8.3605 8.3625 8.3625 10.0128 10.0128 10.0182 10.0182 11.1864 11.1864 11.1873 11.1873 11.9885 11.9885 11.9894 11.9894 13.2142 13.2142 13.2190 13.2190 14.4852 14.4852 14.5004 14.5004 k = 0.7308 0.1904-0.1538 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5598 -20.5598 -20.5567 -20.5567 -19.9529 -19.9529 -19.9169 -19.9169 -19.8860 -19.8860 -19.8532 -19.8532 2.2654 2.2654 2.2673 2.2673 5.6129 5.6129 5.6175 5.6175 8.3959 8.3959 8.3984 8.3984 9.9312 9.9312 9.9374 9.9374 11.1761 11.1761 11.1772 11.1772 11.9439 11.9439 11.9443 11.9443 13.2279 13.2279 13.2335 13.2335 14.5095 14.5095 14.5255 14.5255 k = 0.7179 0.2007-0.1621 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5595 -20.5595 -20.5564 -20.5564 -19.9523 -19.9523 -19.9157 -19.9157 -19.8874 -19.8874 -19.8539 -19.8539 2.2224 2.2224 2.2242 2.2242 5.7162 5.7162 5.7207 5.7207 8.4281 8.4281 8.4310 8.4310 9.8514 9.8514 9.8584 9.8584 11.1651 11.1651 11.1663 11.1663 11.8984 11.8984 11.8985 11.8985 13.2402 13.2402 13.2465 13.2465 14.5407 14.5407 14.5574 14.5574 k = 0.7051 0.2110-0.1704 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5593 -20.5593 -20.5562 -20.5562 -19.9516 -19.9516 -19.9146 -19.9146 -19.8886 -19.8886 -19.8547 -19.8547 2.1817 2.1817 2.1834 2.1834 5.8202 5.8202 5.8246 5.8246 8.4556 8.4556 8.4590 8.4590 9.7748 9.7748 9.7825 9.7825 11.1531 11.1531 11.1544 11.1544 11.8528 11.8528 11.8535 11.8535 13.2505 13.2505 13.2573 13.2573 14.5788 14.5788 14.5961 14.5961 k = 0.6923 0.2214-0.1788 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5590 -20.5590 -20.5560 -20.5560 -19.9508 -19.9508 -19.9138 -19.9138 -19.8895 -19.8895 -19.8555 -19.8555 2.1434 2.1434 2.1450 2.1450 5.9248 5.9248 5.9292 5.9292 8.4767 8.4767 8.4807 8.4807 9.7030 9.7030 9.7114 9.7114 11.1400 11.1400 11.1414 11.1414 11.8085 11.8085 11.8095 11.8095 13.2585 13.2585 13.2657 13.2657 14.6237 14.6237 14.6415 14.6415 k = 0.6795 0.2317-0.1871 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5587 -20.5587 -20.5558 -20.5558 -19.9498 -19.9498 -19.9133 -19.9133 -19.8902 -19.8902 -19.8564 -19.8564 2.1074 2.1074 2.1088 2.1088 6.0301 6.0301 6.0344 6.0344 8.4896 8.4896 8.4941 8.4941 9.6377 9.6377 9.6468 9.6468 11.1256 11.1256 11.1272 11.1272 11.7663 11.7663 11.7676 11.7676 13.2641 13.2641 13.2714 13.2714 14.6751 14.6751 14.6932 14.6932 k = 0.6667 0.2420-0.1954 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5584 -20.5584 -20.5557 -20.5557 -19.9489 -19.9489 -19.9131 -19.9131 -19.8905 -19.8905 -19.8574 -19.8574 2.0737 2.0737 2.0751 2.0751 6.1360 6.1360 6.1402 6.1402 8.4919 8.4919 8.4968 8.4968 9.5811 9.5811 9.5907 9.5907 11.1099 11.1099 11.1116 11.1116 11.7266 11.7266 11.7281 11.7281 13.2673 13.2673 13.2747 13.2747 14.7327 14.7327 14.7509 14.7509 k = 0.6538 0.2523-0.2038 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5581 -20.5581 -20.5555 -20.5555 -19.9479 -19.9479 -19.9133 -19.9133 -19.8904 -19.8904 -19.8584 -19.8584 2.0425 2.0425 2.0438 2.0438 6.2425 6.2425 6.2465 6.2465 8.4818 8.4818 8.4869 8.4869 9.5350 9.5350 9.5450 9.5450 11.0929 11.0929 11.0946 11.0946 11.6901 11.6901 11.6917 11.6917 13.2685 13.2685 13.2757 13.2757 14.7960 14.7960 14.8142 14.8142 k = 0.6410 0.2626-0.2121 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5554 -20.5554 -19.9468 -19.9468 -19.9139 -19.9139 -19.8900 -19.8900 -19.8595 -19.8595 2.0137 2.0137 2.0149 2.0149 6.3496 6.3496 6.3535 6.3535 8.4578 8.4578 8.4628 8.4628 9.5007 9.5007 9.5107 9.5107 11.0745 11.0745 11.0764 11.0764 11.6570 11.6570 11.6587 11.6587 13.2678 13.2678 13.2747 13.2747 14.8643 14.8643 14.8825 14.8825 k = 0.6282 0.2729-0.2204 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5576 -20.5576 -20.5553 -20.5553 -19.9456 -19.9456 -19.9148 -19.9148 -19.8893 -19.8893 -19.8607 -19.8607 1.9873 1.9873 1.9884 1.9884 6.4572 6.4572 6.4609 6.4609 8.4193 8.4193 8.4241 8.4241 9.4785 9.4785 9.4883 9.4883 11.0549 11.0549 11.0569 11.0569 11.6276 11.6276 11.6293 11.6293 13.2657 13.2657 13.2722 13.2722 14.9371 14.9371 14.9551 14.9551 k = 0.6154 0.2832-0.2288 ( 3640 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5574 -20.5574 -20.5553 -20.5553 -19.9444 -19.9444 -19.9159 -19.9159 -19.8883 -19.8883 -19.8619 -19.8619 1.9634 1.9634 1.9644 1.9644 6.5653 6.5653 6.5688 6.5688 8.3671 8.3671 8.3714 8.3714 9.4674 9.4674 9.4767 9.4767 11.0346 11.0346 11.0366 11.0366 11.6019 11.6019 11.6035 11.6035 13.2625 13.2625 13.2686 13.2686 15.0137 15.0137 15.0314 15.0314 k = 0.6026 0.2936-0.2371 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5571 -20.5571 -20.5552 -20.5552 -19.9430 -19.9430 -19.9172 -19.9172 -19.8871 -19.8871 -19.8632 -19.8632 1.9420 1.9420 1.9429 1.9429 6.6738 6.6738 6.6771 6.6771 8.3026 8.3026 8.3064 8.3064 9.4656 9.4656 9.4741 9.4741 11.0138 11.0138 11.0159 11.0159 11.5798 11.5798 11.5813 11.5813 13.2586 13.2586 13.2642 13.2642 15.0934 15.0934 15.1108 15.1108 k = 0.5897 0.3039-0.2454 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5568 -20.5568 -20.5551 -20.5551 -19.9417 -19.9417 -19.9187 -19.9187 -19.8857 -19.8857 -19.8645 -19.8645 1.9231 1.9231 1.9238 1.9238 6.7826 6.7826 6.7857 6.7857 8.2278 8.2278 8.2309 8.2309 9.4707 9.4707 9.4783 9.4783 10.9932 10.9932 10.9952 10.9952 11.5611 11.5611 11.5625 11.5625 13.2544 13.2544 13.2593 13.2593 15.1754 15.1754 15.1924 15.1924 k = 0.5769 0.3142-0.2538 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5566 -20.5566 -20.5551 -20.5551 -19.9402 -19.9402 -19.9203 -19.9203 -19.8843 -19.8843 -19.8658 -19.8658 1.9067 1.9067 1.9073 1.9073 6.8916 6.8916 6.8945 6.8945 8.1447 8.1447 8.1470 8.1470 9.4804 9.4804 9.4870 9.4870 10.9734 10.9734 10.9753 10.9753 11.5457 11.5457 11.5469 11.5469 13.2502 13.2502 13.2545 13.2545 15.2588 15.2588 15.2754 15.2754 k = 0.5641 0.3245-0.2621 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5564 -20.5564 -20.5551 -20.5551 -19.9387 -19.9387 -19.9219 -19.9219 -19.8828 -19.8828 -19.8672 -19.8672 1.8928 1.8928 1.8933 1.8933 7.0007 7.0007 7.0033 7.0033 8.0550 8.0550 8.0567 8.0567 9.4923 9.4923 9.4979 9.4979 10.9551 10.9551 10.9568 10.9568 11.5333 11.5333 11.5343 11.5343 13.2462 13.2462 13.2498 13.2498 15.3425 15.3425 15.3586 15.3586 k = 0.5513 0.3348-0.2704 ( 3614 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5561 -20.5561 -20.5551 -20.5551 -19.9372 -19.9372 -19.9236 -19.9236 -19.8812 -19.8812 -19.8686 -19.8686 1.8814 1.8814 1.8818 1.8818 7.1097 7.1097 7.1121 7.1121 7.9604 7.9604 7.9614 7.9614 9.5047 9.5047 9.5092 9.5092 10.9390 10.9390 10.9405 10.9405 11.5235 11.5235 11.5244 11.5244 13.2426 13.2426 13.2456 13.2456 15.4251 15.4251 15.4405 15.4405 k = 0.5385 0.3451-0.2787 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5560 -20.5560 -20.5552 -20.5552 -19.9356 -19.9356 -19.9254 -19.9254 -19.8796 -19.8796 -19.8702 -19.8702 1.8725 1.8725 1.8728 1.8728 7.2183 7.2183 7.2204 7.2204 7.8620 7.8620 7.8625 7.8625 9.5161 9.5161 9.5195 9.5195 10.9257 10.9257 10.9269 10.9269 11.5162 11.5162 11.5169 11.5169 13.2398 13.2398 13.2420 13.2420 15.5043 15.5043 15.5185 15.5185 k = 0.5256 0.3555-0.2871 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5558 -20.5558 -20.5553 -20.5553 -19.9340 -19.9340 -19.9271 -19.9271 -19.8781 -19.8781 -19.8717 -19.8717 1.8662 1.8662 1.8664 1.8664 7.3260 7.3260 7.3277 7.3277 7.7613 7.7613 7.7613 7.7613 9.5252 9.5252 9.5275 9.5275 10.9158 10.9158 10.9166 10.9166 11.5112 11.5112 11.5116 11.5116 13.2377 13.2377 13.2392 13.2392 15.5761 15.5761 15.5882 15.5882 k = 0.5128 0.3658-0.2954 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5556 -20.5556 -20.5554 -20.5554 -19.9323 -19.9323 -19.9288 -19.9288 -19.8765 -19.8765 -19.8733 -19.8733 1.8625 1.8625 1.8626 1.8626 7.4307 7.4307 7.4320 7.4320 7.6603 7.6603 7.6608 7.6608 9.5313 9.5313 9.5324 9.5324 10.9098 10.9098 10.9102 10.9102 11.5083 11.5083 11.5085 11.5085 13.2366 13.2366 13.2374 13.2374 15.6325 15.6325 15.6403 15.6403 k = 0.5000 0.3761-0.3037 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5555 -20.5555 -20.5555 -20.5555 -19.9306 -19.9306 -19.9306 -19.9306 -19.8749 -19.8749 -19.8749 -19.8749 1.8612 1.8612 1.8612 1.8612 7.5050 7.5050 7.5050 7.5050 7.5882 7.5882 7.5882 7.5882 9.5337 9.5337 9.5337 9.5337 10.9079 10.9079 10.9079 10.9079 11.5074 11.5074 11.5074 11.5074 13.2365 13.2365 13.2365 13.2365 15.6583 15.6583 15.6583 15.6583 k = 0.5000 0.3761-0.3037 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5555 -20.5555 -20.5555 -20.5555 -19.9306 -19.9306 -19.9306 -19.9306 -19.8749 -19.8749 -19.8749 -19.8749 1.8612 1.8612 1.8612 1.8612 7.5050 7.5050 7.5050 7.5050 7.5882 7.5882 7.5882 7.5882 9.5337 9.5337 9.5337 9.5337 10.9079 10.9079 10.9079 10.9079 11.5074 11.5074 11.5074 11.5074 13.2365 13.2365 13.2365 13.2365 15.6583 15.6583 15.6583 15.6583 k = 0.4865 0.3659-0.2955 ( 3630 PWs) bands (ev): -43.7900 -43.7900 -43.7889 -43.7889 -20.5573 -20.5573 -20.5537 -20.5537 -19.9322 -19.9322 -19.9290 -19.9290 -19.8749 -19.8749 -19.8748 -19.8748 1.7653 1.7653 1.9591 1.9591 7.4661 7.4661 7.5444 7.5444 7.5851 7.5851 7.5922 7.5922 9.4641 9.4641 9.6065 9.6065 10.9068 10.9068 10.9088 10.9088 11.5018 11.5018 11.5110 11.5110 13.0991 13.0991 13.3629 13.3629 15.6334 15.6334 15.6864 15.6864 k = 0.4730 0.3558-0.2873 ( 3634 PWs) bands (ev): -43.7906 -43.7906 -43.7883 -43.7883 -20.5590 -20.5590 -20.5521 -20.5521 -19.9338 -19.9338 -19.9276 -19.9276 -19.8749 -19.8749 -19.8747 -19.8747 1.6713 1.6713 2.0588 2.0588 7.4279 7.4279 7.5822 7.5822 7.5846 7.5846 7.5975 7.5975 9.3983 9.3983 9.6819 9.6819 10.9057 10.9057 10.9096 10.9096 11.4942 11.4942 11.5126 11.5126 12.9521 12.9521 13.4771 13.4771 15.6123 15.6123 15.7168 15.7168 k = 0.4595 0.3456-0.2791 ( 3630 PWs) bands (ev): -43.7912 -43.7912 -43.7877 -43.7877 -20.5606 -20.5606 -20.5503 -20.5503 -19.9354 -19.9354 -19.9262 -19.9262 -19.8747 -19.8747 -19.8745 -19.8745 1.5793 1.5793 2.1604 2.1604 7.3904 7.3904 7.5802 7.5802 7.6038 7.6038 7.6251 7.6251 9.3367 9.3367 9.7594 9.7594 10.9043 10.9043 10.9104 10.9104 11.4849 11.4849 11.5121 11.5121 12.7969 12.7969 13.5779 13.5779 15.5950 15.5950 15.7470 15.7470 k = 0.4459 0.3354-0.2709 ( 3626 PWs) bands (ev): -43.7917 -43.7917 -43.7872 -43.7872 -20.5623 -20.5623 -20.5486 -20.5486 -19.9371 -19.9371 -19.9248 -19.9248 -19.8746 -19.8746 -19.8743 -19.8743 1.4893 1.4893 2.2636 2.2636 7.3536 7.3536 7.5776 7.5776 7.6122 7.6122 7.6659 7.6659 9.2801 9.2801 9.8384 9.8384 10.9028 10.9028 10.9110 10.9110 11.4739 11.4739 11.5095 11.5095 12.6349 12.6349 13.6648 13.6648 15.5814 15.5814 15.7391 15.7391 k = 0.4324 0.3253-0.2627 ( 3620 PWs) bands (ev): -43.7923 -43.7923 -43.7866 -43.7866 -20.5639 -20.5639 -20.5469 -20.5469 -19.9387 -19.9387 -19.9235 -19.9235 -19.8744 -19.8744 -19.8739 -19.8739 1.4015 1.4015 2.3686 2.3686 7.3175 7.3175 7.5744 7.5744 7.6224 7.6224 7.7072 7.7072 9.2289 9.2289 9.9182 9.9182 10.9010 10.9010 10.9114 10.9114 11.4615 11.4615 11.5050 11.5050 12.4673 12.4673 13.7374 13.7374 15.5713 15.5713 15.7103 15.7103 k = 0.4189 0.3151-0.2545 ( 3612 PWs) bands (ev): -43.7929 -43.7929 -43.7860 -43.7860 -20.5655 -20.5655 -20.5452 -20.5452 -19.9403 -19.9403 -19.9223 -19.9223 -19.8741 -19.8741 -19.8736 -19.8736 1.3158 1.3158 2.4752 2.4752 7.2823 7.2823 7.5700 7.5700 7.6346 7.6346 7.7488 7.7488 9.1837 9.1837 9.9984 9.9984 10.8990 10.8990 10.9115 10.9115 11.4478 11.4478 11.4987 11.4987 12.2952 12.2952 13.7961 13.7961 15.5642 15.5642 15.6832 15.6832 k = 0.4054 0.3049-0.2463 ( 3612 PWs) bands (ev): -43.7934 -43.7934 -43.7855 -43.7855 -20.5670 -20.5670 -20.5435 -20.5435 -19.9420 -19.9420 -19.9212 -19.9212 -19.8739 -19.8739 -19.8732 -19.8732 1.2324 1.2324 2.5834 2.5834 7.2480 7.2480 7.5640 7.5640 7.6489 7.6489 7.7907 7.7907 9.1451 9.1451 10.0783 10.0783 10.8965 10.8965 10.9112 10.9112 11.4329 11.4329 11.4907 11.4907 12.1195 12.1195 13.8416 13.8416 15.5599 15.5599 15.6584 15.6584 k = 0.3919 0.2948-0.2381 ( 3604 PWs) bands (ev): -43.7940 -43.7940 -43.7849 -43.7849 -20.5686 -20.5686 -20.5418 -20.5418 -19.9436 -19.9436 -19.9201 -19.9201 -19.8736 -19.8736 -19.8726 -19.8726 1.1512 1.1512 2.6932 2.6932 7.2145 7.2145 7.5561 7.5561 7.6655 7.6655 7.8327 7.8327 9.1135 9.1135 10.1571 10.1571 10.8936 10.8936 10.9104 10.9104 11.4172 11.4172 11.4814 11.4814 11.9411 11.9411 13.8751 13.8751 15.5581 15.5581 15.6360 15.6360 k = 0.3784 0.2846-0.2299 ( 3600 PWs) bands (ev): -43.7945 -43.7945 -43.7844 -43.7844 -20.5701 -20.5701 -20.5401 -20.5401 -19.9453 -19.9453 -19.9192 -19.9192 -19.8733 -19.8733 -19.8721 -19.8721 1.0722 1.0722 2.8044 2.8044 7.1819 7.1819 7.5458 7.5458 7.6844 7.6844 7.8749 7.8749 9.0893 9.0893 10.2342 10.2342 10.8903 10.8903 10.9089 10.9089 11.4007 11.4007 11.4711 11.4711 11.7606 11.7606 13.8980 13.8980 15.5584 15.5584 15.6164 15.6164 k = 0.3649 0.2744-0.2216 ( 3604 PWs) bands (ev): -43.7951 -43.7951 -43.7838 -43.7838 -20.5716 -20.5716 -20.5385 -20.5385 -19.9469 -19.9469 -19.9183 -19.9183 -19.8730 -19.8730 -19.8715 -19.8715 0.9957 0.9957 2.9170 2.9170 7.1503 7.1503 7.5330 7.5330 7.7057 7.7057 7.9171 7.9171 9.0727 9.0727 10.3089 10.3089 10.8863 10.8863 10.9065 10.9065 11.3837 11.3837 11.4601 11.4601 11.5788 11.5788 13.9120 13.9120 15.5605 15.5605 15.5996 15.5996 k = 0.3514 0.2643-0.2134 ( 3616 PWs) bands (ev): -43.7956 -43.7956 -43.7833 -43.7833 -20.5731 -20.5731 -20.5369 -20.5369 -19.9486 -19.9486 -19.9175 -19.9175 -19.8727 -19.8727 -19.8708 -19.8708 0.9215 0.9215 3.0310 3.0310 7.1197 7.1197 7.5175 7.5175 7.7293 7.7293 7.9593 7.9593 9.0638 9.0638 10.3803 10.3803 10.8817 10.8817 10.9029 10.9029 11.3663 11.3663 11.3960 11.3960 11.4490 11.4490 13.9189 13.9189 15.5643 15.5643 15.5858 15.5858 k = 0.3378 0.2541-0.2052 ( 3628 PWs) bands (ev): -43.7961 -43.7961 -43.7828 -43.7828 -20.5746 -20.5746 -20.5353 -20.5353 -19.9503 -19.9503 -19.9169 -19.9169 -19.8724 -19.8724 -19.8701 -19.8701 0.8497 0.8497 3.1463 3.1463 7.0900 7.0900 7.4993 7.4993 7.7554 7.7554 8.0013 8.0013 9.0625 9.0625 10.4475 10.4475 10.8765 10.8765 10.8979 10.8979 11.2130 11.2130 11.3489 11.3489 11.4381 11.4381 13.9206 13.9206 15.5691 15.5691 15.5754 15.5754 k = 0.3243 0.2440-0.1970 ( 3632 PWs) bands (ev): -43.7966 -43.7966 -43.7823 -43.7823 -20.5760 -20.5760 -20.5338 -20.5338 -19.9519 -19.9519 -19.9163 -19.9163 -19.8721 -19.8721 -19.8693 -19.8693 0.7805 0.7805 3.2628 3.2628 7.0614 7.0614 7.4785 7.4785 7.7839 7.7839 8.0432 8.0432 9.0687 9.0687 10.5097 10.5097 10.8703 10.8703 10.8911 10.8911 11.0301 11.0301 11.3314 11.3314 11.4279 11.4279 13.9189 13.9189 15.5666 15.5666 15.5766 15.5766 k = 0.3108 0.2338-0.1888 ( 3640 PWs) bands (ev): -43.7971 -43.7971 -43.7819 -43.7819 -20.5773 -20.5773 -20.5323 -20.5323 -19.9534 -19.9534 -19.9157 -19.9157 -19.8718 -19.8718 -19.8685 -19.8685 0.7137 0.7137 3.3805 3.3805 7.0338 7.0338 7.4554 7.4554 7.8148 7.8148 8.0849 8.0849 9.0820 9.0820 10.5660 10.5660 10.8458 10.8458 10.8633 10.8633 10.8844 10.8844 11.3141 11.3141 11.4191 11.4191 13.9157 13.9157 15.5623 15.5623 15.5839 15.5839 k = 0.2973 0.2236-0.1806 ( 3652 PWs) bands (ev): -43.7976 -43.7976 -43.7814 -43.7814 -20.5787 -20.5787 -20.5309 -20.5309 -19.9550 -19.9550 -19.9153 -19.9153 -19.8715 -19.8715 -19.8677 -19.8677 0.6495 0.6495 3.4993 3.4993 7.0073 7.0073 7.4303 7.4303 7.8480 7.8480 8.1262 8.1262 9.1019 9.1019 10.6154 10.6154 10.6649 10.6649 10.8545 10.8545 10.8736 10.8736 11.2971 11.2971 11.4119 11.4119 13.9127 13.9127 15.5609 15.5609 15.5923 15.5923 k = 0.2838 0.2135-0.1724 ( 3652 PWs) bands (ev): -43.7981 -43.7981 -43.7809 -43.7809 -20.5799 -20.5799 -20.5295 -20.5295 -19.9564 -19.9564 -19.9148 -19.9148 -19.8712 -19.8712 -19.8668 -19.8668 0.5878 0.5878 3.6191 3.6191 6.9818 6.9818 7.4036 7.4036 7.8836 7.8836 8.1670 8.1670 9.1278 9.1278 10.4841 10.4841 10.6573 10.6573 10.8436 10.8436 10.8629 10.8629 11.2806 11.2806 11.4068 11.4068 13.9116 13.9116 15.5628 15.5628 15.6014 15.6014 k = 0.2703 0.2033-0.1642 ( 3653 PWs) bands (ev): -43.7985 -43.7985 -43.7805 -43.7805 -20.5811 -20.5811 -20.5281 -20.5281 -19.9578 -19.9578 -19.9145 -19.9145 -19.8709 -19.8709 -19.8658 -19.8658 0.5288 0.5288 3.7398 3.7398 6.9575 6.9575 7.3758 7.3758 7.9214 7.9214 8.2074 8.2074 9.1589 9.1589 10.3048 10.3048 10.6907 10.6907 10.8295 10.8295 10.8523 10.8523 11.2645 11.2645 11.4039 11.4039 13.9137 13.9137 15.5678 15.5678 15.6110 15.6110 k = 0.2568 0.1931-0.1560 ( 3643 PWs) bands (ev): -43.7989 -43.7989 -43.7801 -43.7801 -20.5822 -20.5822 -20.5267 -20.5267 -19.9592 -19.9592 -19.9141 -19.9141 -19.8706 -19.8706 -19.8648 -19.8648 0.4724 0.4724 3.8614 3.8614 6.9343 6.9343 7.3471 7.3471 7.9614 7.9614 8.2471 8.2471 9.1943 9.1943 10.1274 10.1274 10.7153 10.7153 10.8119 10.8119 10.8423 10.8423 11.2491 11.2491 11.4035 11.4035 13.9203 13.9203 15.5760 15.5760 15.6206 15.6206 k = 0.2432 0.1830-0.1478 ( 3647 PWs) bands (ev): -43.7993 -43.7993 -43.7797 -43.7797 -20.5833 -20.5833 -20.5254 -20.5254 -19.9605 -19.9605 -19.9138 -19.9138 -19.8703 -19.8703 -19.8639 -19.8639 0.4188 0.4188 3.9837 3.9837 6.9122 6.9122 7.3182 7.3182 8.0034 8.0034 8.2861 8.2861 9.2327 9.2327 9.9530 9.9530 10.7306 10.7306 10.7914 10.7914 10.8325 10.8325 11.2344 11.2344 11.4054 11.4054 13.9322 13.9322 15.5874 15.5874 15.6298 15.6298 k = 0.2297 0.1728-0.1396 ( 3651 PWs) bands (ev): -43.7997 -43.7997 -43.7793 -43.7793 -20.5844 -20.5844 -20.5242 -20.5242 -19.9618 -19.9618 -19.9136 -19.9136 -19.8701 -19.8701 -19.8629 -19.8629 0.3678 0.3678 4.1066 4.1066 6.8912 6.8912 7.2893 7.2893 8.0474 8.0474 8.3243 8.3243 9.2718 9.2718 9.7833 9.7833 10.7364 10.7364 10.7686 10.7686 10.8228 10.8228 11.2204 11.2204 11.4095 11.4095 13.9499 13.9499 15.6018 15.6018 15.6370 15.6370 k = 0.2162 0.1626-0.1313 ( 3647 PWs) bands (ev): -43.8001 -43.8001 -43.7789 -43.7789 -20.5854 -20.5854 -20.5230 -20.5230 -19.9630 -19.9630 -19.9134 -19.9134 -19.8698 -19.8698 -19.8620 -19.8620 0.3196 0.3196 4.2299 4.2299 6.8714 6.8714 7.2609 7.2609 8.0931 8.0931 8.3615 8.3615 9.3048 9.3048 9.6247 9.6247 10.7323 10.7323 10.7445 10.7445 10.8131 10.8131 11.2072 11.2072 11.4157 11.4157 13.9736 13.9736 15.6193 15.6193 15.6401 15.6401 k = 0.2027 0.1525-0.1231 ( 3647 PWs) bands (ev): -43.8005 -43.8005 -43.7786 -43.7786 -20.5863 -20.5863 -20.5218 -20.5218 -19.9641 -19.9641 -19.9132 -19.9132 -19.8695 -19.8695 -19.8611 -19.8611 0.2742 0.2742 4.3535 4.3535 6.8527 6.8527 7.2333 7.2333 8.1404 8.1404 8.3977 8.3977 9.3010 9.3010 9.5073 9.5073 10.7145 10.7145 10.7240 10.7240 10.8033 10.8033 11.1947 11.1947 11.4237 11.4237 14.0032 14.0032 15.6376 15.6376 15.6399 15.6399 k = 0.1892 0.1423-0.1149 ( 3651 PWs) bands (ev): -43.8008 -43.8008 -43.7782 -43.7782 -20.5872 -20.5872 -20.5208 -20.5208 -19.9652 -19.9652 -19.9131 -19.9131 -19.8693 -19.8693 -19.8602 -19.8602 0.2315 0.2315 4.4772 4.4772 6.8352 6.8352 7.2069 7.2069 8.1890 8.1890 8.4327 8.4327 9.2023 9.2023 9.4890 9.4890 10.6881 10.6881 10.7030 10.7030 10.7936 10.7936 11.1831 11.1831 11.4331 11.4331 14.0382 14.0382 15.6318 15.6318 15.6631 15.6631 k = 0.1757 0.1321-0.1067 ( 3645 PWs) bands (ev): -43.8011 -43.8011 -43.7779 -43.7779 -20.5880 -20.5880 -20.5197 -20.5197 -19.9662 -19.9662 -19.9129 -19.9129 -19.8690 -19.8690 -19.8593 -19.8593 0.1918 0.1918 4.6006 4.6006 6.8189 6.8189 7.1820 7.1820 8.2387 8.2387 8.4663 8.4663 9.0548 9.0548 9.5231 9.5231 10.6601 10.6601 10.6758 10.6758 10.7840 10.7840 11.1722 11.1722 11.4436 11.4436 14.0778 14.0778 15.6244 15.6244 15.6891 15.6891 k = 0.1622 0.1220-0.0985 ( 3649 PWs) bands (ev): -43.8014 -43.8014 -43.7776 -43.7776 -20.5888 -20.5888 -20.5188 -20.5188 -19.9672 -19.9672 -19.9129 -19.9129 -19.8688 -19.8688 -19.8585 -19.8585 0.1548 0.1548 4.7234 4.7234 6.8038 6.8038 7.1589 7.1589 8.2891 8.2891 8.4985 8.4985 8.8982 8.8982 9.5694 9.5694 10.6312 10.6312 10.6432 10.6432 10.7746 10.7746 11.1622 11.1622 11.4550 11.4550 14.1211 14.1211 15.6167 15.6167 15.7176 15.7176 k = 0.1486 0.1118-0.0903 ( 3645 PWs) bands (ev): -43.8017 -43.8017 -43.7774 -43.7774 -20.5895 -20.5895 -20.5179 -20.5179 -19.9680 -19.9680 -19.9127 -19.9127 -19.8686 -19.8686 -19.8577 -19.8577 0.1208 0.1208 4.8453 4.8453 6.7899 6.7899 7.1379 7.1379 8.3399 8.3399 8.5291 8.5291 8.7412 8.7412 9.6190 9.6190 10.5982 10.5982 10.6100 10.6100 10.7656 10.7656 11.1529 11.1529 11.4669 11.4669 14.1668 14.1668 15.6092 15.6092 15.7304 15.7304 k = 0.1351 0.1016-0.0821 ( 3637 PWs) bands (ev): -43.8019 -43.8019 -43.7771 -43.7771 -20.5901 -20.5901 -20.5171 -20.5171 -19.9688 -19.9688 -19.9127 -19.9127 -19.8684 -19.8684 -19.8569 -19.8569 0.0896 0.0896 4.9655 4.9655 6.7771 6.7771 7.1194 7.1194 8.3906 8.3906 8.5579 8.5579 8.5865 8.5865 9.6690 9.6690 10.5575 10.5575 10.5813 10.5813 10.7570 10.7570 11.1445 11.1445 11.4789 11.4789 14.2139 14.2139 15.6020 15.6020 15.7419 15.7419 k = 0.1216 0.0915-0.0739 ( 3641 PWs) bands (ev): -43.8022 -43.8022 -43.7769 -43.7769 -20.5907 -20.5907 -20.5163 -20.5163 -19.9696 -19.9696 -19.9126 -19.9126 -19.8682 -19.8682 -19.8562 -19.8562 0.0613 0.0613 5.0835 5.0835 6.7656 6.7656 7.1037 7.1037 8.4330 8.4330 8.4429 8.4429 8.5848 8.5848 9.7178 9.7178 10.5127 10.5127 10.5552 10.5552 10.7489 10.7489 11.1369 11.1369 11.4908 11.4908 14.2610 14.2610 15.5953 15.5953 15.7533 15.7533 k = 0.1081 0.0813-0.0657 ( 3635 PWs) bands (ev): -43.8024 -43.8024 -43.7767 -43.7767 -20.5912 -20.5912 -20.5156 -20.5156 -19.9702 -19.9702 -19.9126 -19.9126 -19.8680 -19.8680 -19.8556 -19.8556 0.0360 0.0360 5.1983 5.1983 6.7552 6.7552 7.0912 7.0912 8.2882 8.2882 8.4897 8.4897 8.6095 8.6095 9.7644 9.7644 10.4664 10.4664 10.5310 10.5310 10.7414 10.7414 11.1300 11.1300 11.5023 11.5023 14.3069 14.3069 15.5892 15.5892 15.7643 15.7643 k = 0.0946 0.0712-0.0575 ( 3633 PWs) bands (ev): -43.8026 -43.8026 -43.7765 -43.7765 -20.5917 -20.5917 -20.5150 -20.5150 -19.9709 -19.9709 -19.9125 -19.9125 -19.8679 -19.8679 -19.8550 -19.8550 0.0136 0.0136 5.3085 5.3085 6.7461 6.7461 7.0824 7.0824 8.1471 8.1471 8.5365 8.5365 8.6319 8.6319 9.8079 9.8079 10.4202 10.4202 10.5088 10.5088 10.7347 10.7347 11.1240 11.1240 11.5132 11.5132 14.3504 14.3504 15.5838 15.5838 15.7744 15.7744 k = 0.0811 0.0610-0.0493 ( 3625 PWs) bands (ev): -43.8027 -43.8027 -43.7763 -43.7763 -20.5921 -20.5921 -20.5145 -20.5145 -19.9714 -19.9714 -19.9125 -19.9125 -19.8677 -19.8677 -19.8545 -19.8545 -0.0058 -0.0058 5.4127 5.4127 6.7382 6.7382 7.0778 7.0778 8.0128 8.0128 8.5804 8.5804 8.6518 8.6518 9.8475 9.8475 10.3756 10.3756 10.4889 10.4889 10.7287 10.7287 11.1188 11.1188 11.5231 11.5231 14.3904 14.3904 15.5790 15.5790 15.7738 15.7738 k = 0.0676 0.0508-0.0410 ( 3629 PWs) bands (ev): -43.8029 -43.8029 -43.7762 -43.7762 -20.5925 -20.5925 -20.5140 -20.5140 -19.9718 -19.9718 -19.9125 -19.9125 -19.8676 -19.8676 -19.8541 -19.8541 -0.0223 -0.0223 5.5087 5.5087 6.7315 6.7315 7.0779 7.0779 7.8870 7.8870 8.6204 8.6204 8.6690 8.6690 9.8824 9.8824 10.3341 10.3341 10.4715 10.4715 10.7235 10.7235 11.1144 11.1144 11.5319 11.5319 14.4259 14.4259 15.5749 15.5749 15.7641 15.7641 k = 0.0541 0.0407-0.0328 ( 3631 PWs) bands (ev): -43.8030 -43.8030 -43.7761 -43.7761 -20.5928 -20.5928 -20.5137 -20.5137 -19.9722 -19.9722 -19.9125 -19.9125 -19.8675 -19.8675 -19.8538 -19.8538 -0.0357 -0.0357 5.5940 5.5940 6.7260 6.7260 7.0830 7.0830 7.7722 7.7722 8.6553 8.6553 8.6835 8.6835 9.9120 9.9120 10.2973 10.2973 10.4569 10.4569 10.7192 10.7192 11.1107 11.1107 11.5394 11.5394 14.4561 14.4561 15.5715 15.5715 15.7552 15.7552 k = 0.0405 0.0305-0.0246 ( 3631 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5930 -20.5930 -20.5134 -20.5134 -19.9725 -19.9725 -19.9125 -19.9125 -19.8674 -19.8674 -19.8535 -19.8535 -0.0462 -0.0462 5.6656 5.6656 6.7217 6.7217 7.0930 7.0930 7.6717 7.6717 8.6836 8.6836 8.6953 8.6953 9.9356 9.9356 10.2667 10.2667 10.4452 10.4452 10.7158 10.7158 11.1079 11.1079 11.5454 11.5454 14.4804 14.4804 15.5688 15.5688 15.7480 15.7480 k = 0.0270 0.0203-0.0164 ( 3637 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5932 -20.5932 -20.5132 -20.5132 -19.9727 -19.9727 -19.9125 -19.9125 -19.8674 -19.8674 -19.8533 -19.8533 -0.0537 -0.0537 5.7200 5.7200 6.7187 6.7187 7.1062 7.1062 7.5904 7.5904 8.7010 8.7010 8.7077 8.7077 9.9528 9.9528 10.2437 10.2437 10.4368 10.4368 10.7133 10.7133 11.1059 11.1059 11.5498 11.5498 14.4980 14.4980 15.5669 15.5669 15.7426 15.7426 k = 0.0135 0.0102-0.0082 ( 3633 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5131 -20.5131 -19.9728 -19.9728 -19.9125 -19.9125 -19.8674 -19.8674 -19.8532 -19.8532 -0.0582 -0.0582 5.7542 5.7542 6.7168 6.7168 7.1186 7.1186 7.5356 7.5356 8.7069 8.7069 8.7201 8.7201 9.9633 9.9633 10.2294 10.2294 10.4317 10.4317 10.7118 10.7118 11.1047 11.1047 11.5524 11.5524 14.5088 14.5088 15.5658 15.5658 15.7393 15.7393 k = 0.0000 0.0000 0.0000 ( 3625 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5130 -20.5130 -19.9728 -19.9728 -19.9124 -19.9124 -19.8674 -19.8674 -19.8531 -19.8531 -0.0597 -0.0597 5.7659 5.7659 6.7162 6.7162 7.1239 7.1239 7.5159 7.5159 8.7087 8.7087 8.7245 8.7245 9.9668 9.9668 10.2246 10.2246 10.4299 10.4299 10.7113 10.7113 11.1043 11.1043 11.5533 11.5533 14.5124 14.5124 15.5654 15.5654 15.7381 15.7381 k = 0.0000 0.0000 0.0000 ( 3625 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5130 -20.5130 -19.9728 -19.9728 -19.9124 -19.9124 -19.8674 -19.8674 -19.8531 -19.8531 -0.0597 -0.0597 5.7659 5.7659 6.7162 6.7162 7.1239 7.1239 7.5159 7.5159 8.7087 8.7087 8.7245 8.7245 9.9668 9.9668 10.2246 10.2246 10.4299 10.4299 10.7113 10.7113 11.1043 11.1043 11.5533 11.5533 14.5124 14.5124 15.5654 15.5654 15.7381 15.7381 k = 0.0000 0.0117 0.0145 ( 3629 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5130 -20.5130 -19.9728 -19.9728 -19.9125 -19.9125 -19.8674 -19.8674 -19.8531 -19.8531 -0.0583 -0.0583 5.7670 5.7670 6.7105 6.7105 7.1172 7.1172 7.5157 7.5157 8.7120 8.7120 8.7301 8.7301 9.9722 9.9722 10.2080 10.2080 10.4270 10.4270 10.7261 10.7261 11.1055 11.1055 11.5535 11.5535 14.5119 14.5119 15.5663 15.5663 15.7363 15.7363 k = 0.0000 0.0234 0.0290 ( 3633 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5131 -20.5131 -19.9728 -19.9728 -19.9125 -19.9125 -19.8674 -19.8674 -19.8532 -19.8532 -0.0540 -0.0540 5.7704 5.7704 6.6936 6.6936 7.0975 7.0975 7.5151 7.5151 8.7215 8.7215 8.7468 8.7468 9.9881 9.9881 10.1631 10.1631 10.4184 10.4184 10.7654 10.7654 11.1090 11.1090 11.5541 11.5541 14.5102 14.5102 15.5683 15.5683 15.7295 15.7295 k = 0.0000 0.0351 0.0434 ( 3645 PWs) bands (ev): -43.8031 -43.8031 -43.7759 -43.7759 -20.5933 -20.5933 -20.5133 -20.5133 -19.9728 -19.9728 -19.9126 -19.9126 -19.8675 -19.8675 -19.8532 -19.8532 -0.0469 -0.0469 5.7759 5.7759 6.6661 6.6661 7.0656 7.0656 7.5139 7.5139 8.7363 8.7363 8.7741 8.7741 10.0145 10.0145 10.0992 10.0992 10.4043 10.4043 10.8203 10.8203 11.1150 11.1150 11.5554 11.5554 14.5075 14.5075 15.5690 15.5690 15.7146 15.7146 k = 0.0000 0.0468 0.0579 ( 3645 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5932 -20.5932 -20.5134 -20.5134 -19.9728 -19.9728 -19.9127 -19.9127 -19.8675 -19.8675 -19.8532 -19.8532 -0.0369 -0.0369 5.7837 5.7837 6.6290 6.6290 7.0227 7.0227 7.5122 7.5122 8.7551 8.7551 8.8109 8.8109 10.0222 10.0222 10.0524 10.0524 10.3850 10.3850 10.8837 10.8837 11.1236 11.1236 11.5574 11.5574 14.5036 14.5036 15.5655 15.5655 15.6890 15.6890 k = 0.0000 0.0585 0.0724 ( 3651 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5932 -20.5932 -20.5136 -20.5136 -19.9727 -19.9727 -19.9128 -19.9128 -19.8676 -19.8676 -19.8532 -19.8532 -0.0241 -0.0241 5.7936 5.7936 6.5833 6.5833 6.9704 6.9704 7.5097 7.5097 8.7768 8.7768 8.8559 8.8559 9.9390 9.9390 10.0990 10.0990 10.3612 10.3612 10.9514 10.9514 11.1348 11.1348 11.5604 11.5604 14.4986 14.4986 15.5552 15.5552 15.6526 15.6526 k = 0.0000 0.0702 0.0869 ( 3639 PWs) bands (ev): -43.8030 -43.8030 -43.7761 -43.7761 -20.5930 -20.5930 -20.5138 -20.5138 -19.9726 -19.9726 -19.9129 -19.9129 -19.8676 -19.8676 -19.8532 -19.8532 -0.0085 -0.0085 5.8057 5.8057 6.5304 6.5304 6.9101 6.9101 7.5062 7.5062 8.8002 8.8002 8.9078 8.9078 9.8500 9.8500 10.1559 10.1559 10.3333 10.3333 11.0212 11.0212 11.1488 11.1488 11.5648 11.5648 14.4925 14.4925 15.5368 15.5368 15.6076 15.6076 k = 0.0000 0.0818 0.1013 ( 3635 PWs) bands (ev): -43.8030 -43.8030 -43.7761 -43.7761 -20.5930 -20.5930 -20.5140 -20.5140 -19.9724 -19.9724 -19.9131 -19.9131 -19.8675 -19.8675 -19.8532 -19.8532 0.0100 0.0100 5.8199 5.8199 6.4714 6.4714 6.8432 6.8432 7.5015 7.5015 8.8243 8.8243 8.9651 8.9651 9.7571 9.7571 10.2224 10.2224 10.3022 10.3022 11.0920 11.0920 11.1658 11.1658 11.5707 11.5707 14.4852 14.4852 15.5102 15.5102 15.5563 15.5563 k = 0.0000 0.0935 0.1158 ( 3639 PWs) bands (ev): -43.8029 -43.8029 -43.7762 -43.7762 -20.5929 -20.5929 -20.5143 -20.5143 -19.9723 -19.9723 -19.9133 -19.9133 -19.8676 -19.8676 -19.8533 -19.8533 0.0312 0.0312 5.8360 5.8360 6.4074 6.4074 6.7710 6.7710 7.4954 7.4954 8.8483 8.8483 9.0266 9.0266 9.6612 9.6612 10.2685 10.2685 10.2978 10.2978 11.1630 11.1630 11.1862 11.1862 11.5784 11.5784 14.4768 14.4768 15.4761 15.4761 15.5007 15.5007 k = 0.0000 0.1052 0.1303 ( 3639 PWs) bands (ev): -43.8028 -43.8028 -43.7762 -43.7762 -20.5928 -20.5928 -20.5146 -20.5146 -19.9722 -19.9722 -19.9135 -19.9135 -19.8676 -19.8676 -19.8533 -19.8533 0.0552 0.0552 5.8541 5.8541 6.3394 6.3394 6.6947 6.6947 7.4875 7.4875 8.8719 8.8719 9.0910 9.0910 9.5630 9.5630 10.2337 10.2337 10.3813 10.3813 11.2091 11.2091 11.2348 11.2348 11.5881 11.5881 14.4672 14.4672 15.4352 15.4352 15.4422 15.4422 k = 0.0000 0.1169 0.1448 ( 3639 PWs) bands (ev): -43.8027 -43.8027 -43.7763 -43.7763 -20.5926 -20.5926 -20.5150 -20.5150 -19.9720 -19.9720 -19.9137 -19.9137 -19.8677 -19.8677 -19.8533 -19.8533 0.0820 0.0820 5.8741 5.8741 6.2682 6.2682 6.6152 6.6152 7.4776 7.4776 8.8947 8.8947 9.1572 9.1572 9.4629 9.4629 10.1984 10.1984 10.4722 10.4722 11.2365 11.2365 11.3056 11.3056 11.5998 11.5998 14.4564 14.4564 15.3817 15.3817 15.3884 15.3884 k = 0.0000 0.1286 0.1592 ( 3637 PWs) bands (ev): -43.8027 -43.8027 -43.7764 -43.7764 -20.5924 -20.5924 -20.5154 -20.5154 -19.9719 -19.9719 -19.9139 -19.9139 -19.8678 -19.8678 -19.8534 -19.8534 0.1115 0.1115 5.8957 5.8957 6.1946 6.1946 6.5332 6.5332 7.4653 7.4653 8.9166 8.9166 9.2242 9.2242 9.3614 9.3614 10.1637 10.1637 10.5698 10.5698 11.2676 11.2676 11.3764 11.3764 11.6137 11.6137 14.4444 14.4444 15.3202 15.3202 15.3364 15.3364 k = 0.0000 0.1403 0.1737 ( 3641 PWs) bands (ev): -43.8026 -43.8026 -43.7765 -43.7765 -20.5923 -20.5923 -20.5158 -20.5158 -19.9717 -19.9717 -19.9142 -19.9142 -19.8679 -19.8679 -19.8534 -19.8534 0.1437 0.1437 5.9189 5.9189 6.1192 6.1192 6.4495 6.4495 7.4505 7.4505 8.9377 8.9377 9.2588 9.2588 9.2912 9.2912 10.1307 10.1307 10.6734 10.6734 11.3028 11.3028 11.4470 11.4470 11.6298 11.6298 14.4313 14.4313 15.2583 15.2583 15.2798 15.2798 k = 0.0000 0.1520 0.1882 ( 3635 PWs) bands (ev): -43.8025 -43.8025 -43.7766 -43.7766 -20.5920 -20.5920 -20.5163 -20.5163 -19.9714 -19.9714 -19.9144 -19.9144 -19.8680 -19.8680 -19.8534 -19.8534 0.1786 0.1786 5.9435 5.9435 6.0425 6.0425 6.3647 6.3647 7.4329 7.4329 8.9580 8.9580 9.1553 9.1553 9.3572 9.3572 10.1003 10.1003 10.7822 10.7822 11.3422 11.3422 11.5174 11.5174 11.6481 11.6481 14.4169 14.4169 15.1965 15.1965 15.2191 15.2191 k = 0.0000 0.1637 0.2027 ( 3639 PWs) bands (ev): -43.8023 -43.8023 -43.7767 -43.7767 -20.5918 -20.5918 -20.5168 -20.5168 -19.9712 -19.9712 -19.9147 -19.9147 -19.8681 -19.8681 -19.8535 -19.8535 0.2161 0.2161 5.9649 5.9649 5.9691 5.9691 6.2791 6.2791 7.4124 7.4124 8.9776 8.9776 9.0513 9.0513 9.4217 9.4217 10.0734 10.0734 10.8955 10.8955 11.3860 11.3860 11.5877 11.5877 11.6687 11.6687 14.4012 14.4012 15.1350 15.1350 15.1548 15.1548 k = 0.0000 0.1754 0.2172 ( 3631 PWs) bands (ev): -43.8022 -43.8022 -43.7768 -43.7768 -20.5915 -20.5915 -20.5174 -20.5174 -19.9709 -19.9709 -19.9150 -19.9150 -19.8681 -19.8681 -19.8535 -19.8535 0.2562 0.2562 5.8870 5.8870 5.9955 5.9955 6.1931 6.1931 7.3890 7.3890 8.9468 8.9468 8.9971 8.9971 9.4843 9.4843 10.0509 10.0509 11.0126 11.0126 11.4341 11.4341 11.6578 11.6578 11.6916 11.6916 14.3844 14.3844 15.0741 15.0741 15.0875 15.0875 k = 0.0000 0.1871 0.2316 ( 3631 PWs) bands (ev): -43.8021 -43.8021 -43.7769 -43.7769 -20.5913 -20.5913 -20.5179 -20.5179 -19.9706 -19.9706 -19.9154 -19.9154 -19.8682 -19.8682 -19.8536 -19.8536 0.2989 0.2989 5.8088 5.8088 6.0223 6.0223 6.1072 6.1072 7.3630 7.3630 8.8424 8.8424 9.0159 9.0159 9.5444 9.5444 10.0333 10.0333 11.1330 11.1330 11.4866 11.4866 11.7151 11.7151 11.7295 11.7295 14.3663 14.3663 15.0124 15.0124 15.0193 15.0193 k = 0.0000 0.1988 0.2461 ( 3635 PWs) bands (ev): -43.8020 -43.8020 -43.7770 -43.7770 -20.5910 -20.5910 -20.5185 -20.5185 -19.9704 -19.9704 -19.9158 -19.9158 -19.8683 -19.8683 -19.8536 -19.8536 0.3442 0.3442 5.7308 5.7308 6.0215 6.0215 6.0490 6.0490 7.3346 7.3346 8.7381 8.7381 9.0347 9.0347 9.6017 9.6017 10.0214 10.0214 11.2560 11.2560 11.5434 11.5434 11.7427 11.7427 11.7993 11.7993 14.3470 14.3470 14.9421 14.9421 14.9584 14.9584 k = 0.0000 0.2105 0.2606 ( 3637 PWs) bands (ev): -43.8018 -43.8018 -43.7771 -43.7771 -20.5908 -20.5908 -20.5192 -20.5192 -19.9701 -19.9701 -19.9162 -19.9162 -19.8684 -19.8684 -19.8537 -19.8537 0.3919 0.3919 5.6532 5.6532 5.9363 5.9363 6.0748 6.0748 7.3046 7.3046 8.6342 8.6342 9.0535 9.0535 9.6562 9.6562 10.0153 10.0153 11.3811 11.3811 11.6042 11.6042 11.7717 11.7717 11.8698 11.8698 14.3265 14.3265 14.8672 14.8672 14.9016 14.9016 k = 0.0000 0.2221 0.2751 ( 3629 PWs) bands (ev): -43.8017 -43.8017 -43.7773 -43.7773 -20.5904 -20.5904 -20.5198 -20.5198 -19.9698 -19.9698 -19.9165 -19.9165 -19.8684 -19.8684 -19.8537 -19.8537 0.4420 0.4420 5.5761 5.5761 5.8518 5.8518 6.0990 6.0990 7.2738 7.2738 8.5309 8.5309 9.0725 9.0725 9.7077 9.7077 10.0154 10.0154 11.5077 11.5077 11.6687 11.6687 11.8026 11.8026 11.9406 11.9406 14.3047 14.3047 14.7901 14.7901 14.8469 14.8469 k = 0.0000 0.2338 0.2895 ( 3625 PWs) bands (ev): -43.8015 -43.8015 -43.7774 -43.7774 -20.5901 -20.5901 -20.5205 -20.5205 -19.9695 -19.9695 -19.9169 -19.9169 -19.8685 -19.8685 -19.8537 -19.8537 0.4945 0.4945 5.4998 5.4998 5.7682 5.7682 6.1205 6.1205 7.2435 7.2435 8.4284 8.4284 9.0918 9.0918 9.7562 9.7562 10.0217 10.0217 11.6353 11.6353 11.7363 11.7363 11.8354 11.8354 12.0116 12.0116 14.2818 14.2818 14.7113 14.7113 14.7943 14.7943 k = 0.0000 0.2455 0.3040 ( 3625 PWs) bands (ev): -43.8014 -43.8014 -43.7775 -43.7775 -20.5898 -20.5898 -20.5212 -20.5212 -19.9691 -19.9691 -19.9173 -19.9173 -19.8685 -19.8685 -19.8537 -19.8537 0.5494 0.5494 5.4243 5.4243 5.6855 5.6855 6.1380 6.1380 7.2151 7.2151 8.3269 8.3269 9.1116 9.1116 9.8020 9.8020 10.0342 10.0342 11.7633 11.7633 11.8067 11.8067 11.8701 11.8701 12.0829 12.0829 14.2575 14.2575 14.6310 14.6310 14.7442 14.7442 k = 0.0000 0.2572 0.3185 ( 3621 PWs) bands (ev): -43.8012 -43.8012 -43.7777 -43.7777 -20.5894 -20.5894 -20.5220 -20.5220 -19.9688 -19.9688 -19.9177 -19.9177 -19.8685 -19.8685 -19.8538 -19.8538 0.6065 0.6065 5.3499 5.3499 5.6040 5.6040 6.1501 6.1501 7.1904 7.1904 8.2266 8.2266 9.1318 9.1318 9.8451 9.8451 10.0525 10.0525 11.8789 11.8789 11.8912 11.8912 11.9069 11.9069 12.1544 12.1544 14.2321 14.2321 14.5497 14.5497 14.6967 14.6967 k = 0.0000 0.2689 0.3330 ( 3615 PWs) bands (ev): -43.8010 -43.8010 -43.7779 -43.7779 -20.5890 -20.5890 -20.5227 -20.5227 -19.9685 -19.9685 -19.9181 -19.9181 -19.8685 -19.8685 -19.8538 -19.8538 0.6658 0.6658 5.2765 5.2765 5.5237 5.5237 6.1550 6.1550 7.1714 7.1714 8.1278 8.1278 9.1528 9.1528 9.8859 9.8859 10.0766 10.0766 11.9429 11.9429 11.9548 11.9548 12.0184 12.0184 12.2260 12.2260 14.2055 14.2055 14.4675 14.4675 14.6523 14.6523 k = 0.0000 0.2806 0.3475 ( 3621 PWs) bands (ev): -43.8008 -43.8008 -43.7780 -43.7780 -20.5887 -20.5887 -20.5235 -20.5235 -19.9682 -19.9682 -19.9186 -19.9186 -19.8685 -19.8685 -19.8538 -19.8538 0.7272 0.7272 5.2044 5.2044 5.4447 5.4447 6.1515 6.1515 7.1600 7.1600 8.0306 8.0306 9.1744 9.1744 9.9245 9.9245 10.1058 10.1058 11.9838 11.9838 12.0282 12.0282 12.1441 12.1441 12.2979 12.2979 14.1777 14.1777 14.3848 14.3848 14.6112 14.6112 k = 0.0000 0.2923 0.3619 ( 3625 PWs) bands (ev): -43.8007 -43.8007 -43.7782 -43.7782 -20.5883 -20.5883 -20.5243 -20.5243 -19.9679 -19.9679 -19.9192 -19.9192 -19.8685 -19.8685 -19.8538 -19.8538 0.7907 0.7907 5.1335 5.1335 5.3670 5.3670 6.1381 6.1381 7.1578 7.1578 7.9351 7.9351 9.1968 9.1968 9.9612 9.9612 10.1399 10.1399 12.0252 12.0252 12.1025 12.1025 12.2675 12.2675 12.3697 12.3697 14.1487 14.1487 14.3018 14.3018 14.5741 14.5741 k = 0.0000 0.3040 0.3764 ( 3621 PWs) bands (ev): -43.8005 -43.8005 -43.7784 -43.7784 -20.5879 -20.5879 -20.5251 -20.5251 -19.9675 -19.9675 -19.9196 -19.9196 -19.8685 -19.8685 -19.8538 -19.8538 0.8562 0.8562 5.0640 5.0640 5.2909 5.2909 6.1145 6.1145 7.1656 7.1656 7.8417 7.8417 9.2202 9.2202 9.9964 9.9964 10.1782 10.1782 12.0680 12.0680 12.1757 12.1757 12.3878 12.3878 12.4417 12.4417 14.1185 14.1185 14.2190 14.2190 14.5414 14.5414 k = 0.0000 0.3157 0.3909 ( 3621 PWs) bands (ev): -43.8003 -43.8003 -43.7786 -43.7786 -20.5875 -20.5875 -20.5259 -20.5259 -19.9672 -19.9672 -19.9202 -19.9202 -19.8684 -19.8684 -19.8538 -19.8538 0.9236 0.9236 4.9959 4.9959 5.2162 5.2162 6.0807 6.0807 7.1839 7.1839 7.7504 7.7504 9.2445 9.2445 10.0303 10.0303 10.2201 10.2201 12.1122 12.1122 12.2472 12.2472 12.5027 12.5027 12.5147 12.5147 14.0871 14.0871 14.1367 14.1367 14.5139 14.5139 k = 0.0000 0.3274 0.4054 ( 3620 PWs) bands (ev): -43.8001 -43.8001 -43.7788 -43.7788 -20.5870 -20.5870 -20.5268 -20.5268 -19.9668 -19.9668 -19.9207 -19.9207 -19.8684 -19.8684 -19.8539 -19.8539 0.9927 0.9927 4.9293 4.9293 5.1432 5.1432 6.0375 6.0375 7.2121 7.2121 7.6615 7.6615 9.2698 9.2698 10.0631 10.0631 10.2649 10.2649 12.1577 12.1577 12.3158 12.3158 12.5833 12.5833 12.6164 12.6164 14.0529 14.0529 14.0571 14.0571 14.4926 14.4926 k = 0.0000 0.3391 0.4198 ( 3620 PWs) bands (ev): -43.7999 -43.7999 -43.7790 -43.7790 -20.5866 -20.5866 -20.5277 -20.5277 -19.9665 -19.9665 -19.9212 -19.9212 -19.8683 -19.8683 -19.8539 -19.8539 1.0636 1.0636 4.8642 4.8642 5.0717 5.0717 5.9861 5.9861 7.2496 7.2496 7.5751 7.5751 9.2962 9.2962 10.0952 10.0952 10.3120 10.3120 12.2043 12.2043 12.3809 12.3809 12.6541 12.6541 12.7207 12.7207 13.9750 13.9750 14.0215 14.0215 14.4784 14.4784 k = 0.0000 0.3508 0.4343 ( 3628 PWs) bands (ev): -43.7996 -43.7996 -43.7792 -43.7792 -20.5861 -20.5861 -20.5286 -20.5286 -19.9662 -19.9662 -19.9218 -19.9218 -19.8682 -19.8682 -19.8539 -19.8539 1.1360 1.1360 4.8007 4.8007 5.0018 5.0018 5.9277 5.9277 7.2953 7.2953 7.4914 7.4914 9.3237 9.3237 10.1267 10.1267 10.3606 10.3606 12.2519 12.2519 12.4414 12.4414 12.7237 12.7237 12.8171 12.8171 13.8969 13.8969 13.9869 13.9869 14.4725 14.4725 k = 0.0000 0.3625 0.4488 ( 3620 PWs) bands (ev): -43.7994 -43.7994 -43.7794 -43.7794 -20.5856 -20.5856 -20.5295 -20.5295 -19.9658 -19.9658 -19.9223 -19.9223 -19.8680 -19.8680 -19.8538 -19.8538 1.2100 1.2100 4.7388 4.7388 4.9337 4.9337 5.8637 5.8637 7.3481 7.3481 7.4107 7.4107 9.3524 9.3524 10.1580 10.1580 10.4097 10.4097 12.3003 12.3003 12.4968 12.4968 12.7920 12.7920 12.9041 12.9041 13.8213 13.8213 13.9514 13.9514 14.4762 14.4762 k = 0.0000 0.3741 0.4633 ( 3616 PWs) bands (ev): -43.7992 -43.7992 -43.7796 -43.7796 -20.5851 -20.5851 -20.5304 -20.5304 -19.9654 -19.9654 -19.9229 -19.9229 -19.8679 -19.8679 -19.8538 -19.8538 1.2853 1.2853 4.6785 4.6785 4.8672 4.8672 5.7952 5.7952 7.3330 7.3330 7.4074 7.4074 9.3824 9.3824 10.1891 10.1891 10.4583 10.4583 12.3494 12.3494 12.5462 12.5462 12.8588 12.8588 12.9801 12.9801 13.7492 13.7492 13.9149 13.9149 14.4906 14.4906 k = 0.0000 0.3858 0.4777 ( 3612 PWs) bands (ev): -43.7990 -43.7990 -43.7798 -43.7798 -20.5846 -20.5846 -20.5312 -20.5312 -19.9650 -19.9650 -19.9235 -19.9235 -19.8677 -19.8677 -19.8538 -19.8538 1.3618 1.3618 4.6199 4.6199 4.8025 4.8025 5.7234 5.7234 7.2587 7.2587 7.4721 7.4721 9.4136 9.4136 10.2203 10.2203 10.5054 10.5054 12.3989 12.3989 12.5891 12.5891 12.9234 12.9234 13.0438 13.0438 13.6813 13.6813 13.8776 13.8776 14.5166 14.5166 k = 0.0000 0.3975 0.4922 ( 3608 PWs) bands (ev): -43.7987 -43.7987 -43.7800 -43.7800 -20.5841 -20.5841 -20.5321 -20.5321 -19.9646 -19.9646 -19.9241 -19.9241 -19.8674 -19.8674 -19.8538 -19.8538 1.4395 1.4395 4.5629 4.5629 4.7396 4.7396 5.6490 5.6490 7.1878 7.1878 7.5416 7.5416 9.4461 9.4461 10.2518 10.2518 10.5499 10.5499 12.4485 12.4485 12.6251 12.6251 12.9855 12.9855 13.0946 13.0946 13.6188 13.6188 13.8394 13.8394 14.5546 14.5546 k = 0.0000 0.4092 0.5067 ( 3612 PWs) bands (ev): -43.7985 -43.7985 -43.7803 -43.7803 -20.5836 -20.5836 -20.5331 -20.5331 -19.9643 -19.9643 -19.9247 -19.9247 -19.8672 -19.8672 -19.8537 -19.8537 1.5181 1.5181 4.5077 4.5077 4.6784 4.6784 5.5728 5.5728 7.1207 7.1207 7.6155 7.6155 9.4800 9.4800 10.2837 10.2837 10.5904 10.5904 12.4978 12.4978 12.6540 12.6540 13.0444 13.0444 13.1324 13.1324 13.5629 13.5629 13.8006 13.8006 14.6044 14.6044 k = 0.0000 0.4209 0.5212 ( 3612 PWs) bands (ev): -43.7982 -43.7982 -43.7805 -43.7805 -20.5830 -20.5830 -20.5340 -20.5340 -19.9639 -19.9639 -19.9253 -19.9253 -19.8670 -19.8670 -19.8537 -19.8537 1.5975 1.5975 4.4542 4.4542 4.6190 4.6190 5.4955 5.4955 7.0574 7.0574 7.6932 7.6932 9.5152 9.5152 10.3161 10.3161 10.6256 10.6256 12.5464 12.5464 12.6756 12.6756 13.0991 13.0991 13.1581 13.1581 13.5150 13.5150 13.7612 13.7612 14.6647 14.6647 k = 0.0000 0.4326 0.5357 ( 3612 PWs) bands (ev): -43.7980 -43.7980 -43.7807 -43.7807 -20.5825 -20.5825 -20.5349 -20.5349 -19.9635 -19.9635 -19.9260 -19.9260 -19.8667 -19.8667 -19.8537 -19.8537 1.6776 1.6776 4.4024 4.4024 4.5613 4.5613 5.4174 5.4174 6.9982 6.9982 7.7743 7.7743 9.5518 9.5518 10.3492 10.3492 10.6541 10.6541 12.5938 12.5938 12.6899 12.6899 13.1467 13.1467 13.1749 13.1749 13.4765 13.4765 13.7214 13.7214 14.7235 14.7235 k = 0.0000 0.4443 0.5501 ( 3600 PWs) bands (ev): -43.7977 -43.7977 -43.7810 -43.7810 -20.5819 -20.5819 -20.5358 -20.5358 -19.9631 -19.9631 -19.9266 -19.9266 -19.8664 -19.8664 -19.8536 -19.8536 1.7581 1.7581 4.3524 4.3524 4.5055 4.5055 5.3390 5.3390 6.9432 6.9432 7.8586 7.8586 9.5898 9.5898 10.3831 10.3831 10.6744 10.6744 12.6392 12.6392 12.6973 12.6973 13.1683 13.1683 13.2023 13.2023 13.4490 13.4490 13.6815 13.6815 14.7201 14.7201 k = 0.0000 0.4560 0.5646 ( 3600 PWs) bands (ev): -43.7975 -43.7975 -43.7812 -43.7812 -20.5813 -20.5813 -20.5367 -20.5367 -19.9627 -19.9627 -19.9273 -19.9273 -19.8661 -19.8661 -19.8536 -19.8536 1.8389 1.8389 4.3042 4.3042 4.4515 4.4515 5.2607 5.2607 6.8928 6.8928 7.9457 7.9457 9.6292 9.6292 10.4178 10.4178 10.6854 10.6854 12.6810 12.6810 12.6995 12.6995 13.1653 13.1653 13.2392 13.2392 13.4337 13.4337 13.6421 13.6421 14.7156 14.7156 k = 0.0000 0.4677 0.5791 ( 3604 PWs) bands (ev): -43.7972 -43.7972 -43.7815 -43.7815 -20.5807 -20.5807 -20.5377 -20.5377 -19.9623 -19.9623 -19.9279 -19.9279 -19.8658 -19.8658 -19.8536 -19.8536 1.9199 1.9199 4.2577 4.2577 4.3994 4.3994 5.1828 5.1828 6.8471 6.8471 8.0354 8.0354 9.6701 9.6701 10.4534 10.4534 10.6859 10.6859 12.6893 12.6893 12.7263 12.7263 13.1531 13.1531 13.2701 13.2701 13.4314 13.4314 13.6040 13.6040 14.7154 14.7154 k = 0.0000 0.4794 0.5936 ( 3606 PWs) bands (ev): -43.7970 -43.7970 -43.7817 -43.7817 -20.5801 -20.5801 -20.5386 -20.5386 -19.9619 -19.9619 -19.9286 -19.9286 -19.8654 -19.8654 -19.8536 -19.8536 2.0007 2.0007 4.2130 4.2130 4.3490 4.3490 5.1055 5.1055 6.8064 6.8064 8.1274 8.1274 9.7125 9.7125 10.4901 10.4901 10.6752 10.6752 12.6774 12.6774 12.7648 12.7648 13.1342 13.1342 13.2918 13.2918 13.4425 13.4425 13.5688 13.5688 14.7198 14.7198 k = 0.0000 0.4911 0.6080 ( 3614 PWs) bands (ev): -43.7967 -43.7967 -43.7820 -43.7820 -20.5795 -20.5795 -20.5396 -20.5396 -19.9615 -19.9615 -19.9294 -19.9294 -19.8651 -19.8651 -19.8536 -19.8536 2.0812 2.0812 4.1702 4.1702 4.3005 4.3005 5.0290 5.0290 6.7708 6.7708 8.2213 8.2213 9.7563 9.7563 10.5278 10.5278 10.6528 10.6528 12.6593 12.6593 12.8021 12.8021 13.1100 13.1100 13.3014 13.3014 13.4663 13.4663 13.5388 13.5388 14.7286 14.7286 k = 0.0000 0.5028 0.6225 ( 3612 PWs) bands (ev): -43.7964 -43.7964 -43.7823 -43.7823 -20.5789 -20.5789 -20.5405 -20.5405 -19.9610 -19.9610 -19.9301 -19.9301 -19.8647 -19.8647 -19.8535 -19.8535 2.1612 2.1612 4.1291 4.1291 4.2539 4.2539 4.9536 4.9536 6.7406 6.7406 8.3170 8.3170 9.8015 9.8015 10.5667 10.5667 10.6189 10.6189 12.6357 12.6357 12.8384 12.8384 13.0813 13.0813 13.2961 13.2961 13.5009 13.5009 13.5175 13.5175 14.7417 14.7417 k = 0.0000 0.5145 0.6370 ( 3612 PWs) bands (ev): -43.7961 -43.7961 -43.7826 -43.7826 -20.5783 -20.5783 -20.5415 -20.5415 -19.9606 -19.9606 -19.9308 -19.9308 -19.8644 -19.8644 -19.8535 -19.8535 2.2405 2.2405 4.0898 4.0898 4.2091 4.2091 4.8793 4.8793 6.7160 6.7160 8.4139 8.4139 9.8483 9.8483 10.5739 10.5739 10.6069 10.6069 12.6070 12.6070 12.8743 12.8743 13.0487 13.0487 13.2752 13.2752 13.5018 13.5018 13.5482 13.5482 14.7586 14.7586 k = 0.0000 0.5261 0.6515 ( 3608 PWs) bands (ev): -43.7959 -43.7959 -43.7828 -43.7828 -20.5776 -20.5776 -20.5424 -20.5424 -19.9601 -19.9601 -19.9315 -19.9315 -19.8639 -19.8639 -19.8535 -19.8535 2.3189 2.3189 4.0523 4.0523 4.1661 4.1661 4.8062 4.8062 6.6973 6.6973 8.5116 8.5116 9.8965 9.8965 10.5189 10.5189 10.6481 10.6481 12.5737 12.5737 12.9100 12.9100 13.0129 13.0129 13.2411 13.2411 13.4942 13.4942 13.6020 13.6020 14.7786 14.7786 k = 0.0000 0.5378 0.6660 ( 3610 PWs) bands (ev): -43.7956 -43.7956 -43.7831 -43.7831 -20.5770 -20.5770 -20.5433 -20.5433 -19.9597 -19.9597 -19.9322 -19.9322 -19.8636 -19.8636 -19.8535 -19.8535 2.3961 2.3961 4.0167 4.0167 4.1250 4.1250 4.7346 4.7346 6.6845 6.6845 8.6096 8.6096 9.9462 9.9462 10.4552 10.4552 10.6906 10.6906 12.5362 12.5362 12.9451 12.9451 12.9750 12.9750 13.1974 13.1974 13.4892 13.4892 13.6622 13.6622 14.8011 14.8011 k = 0.0000 0.5495 0.6804 ( 3604 PWs) bands (ev): -43.7953 -43.7953 -43.7834 -43.7834 -20.5763 -20.5763 -20.5443 -20.5443 -19.9592 -19.9592 -19.9329 -19.9329 -19.8631 -19.8631 -19.8535 -19.8535 2.4719 2.4719 3.9828 3.9828 4.0857 4.0857 4.6644 4.6644 6.6780 6.6780 8.7069 8.7069 9.9973 9.9973 10.3846 10.3846 10.7343 10.7343 12.4946 12.4946 12.9312 12.9312 12.9833 12.9833 13.1468 13.1468 13.4847 13.4847 13.7272 13.7272 14.8251 14.8251 k = 0.0000 0.5612 0.6949 ( 3608 PWs) bands (ev): -43.7950 -43.7950 -43.7837 -43.7837 -20.5756 -20.5756 -20.5452 -20.5452 -19.9587 -19.9587 -19.9337 -19.9337 -19.8628 -19.8628 -19.8535 -19.8535 2.5463 2.5463 3.9508 3.9508 4.0482 4.0482 4.5958 4.5958 6.6780 6.6780 8.8022 8.8022 10.0498 10.0498 10.3094 10.3094 10.7793 10.7793 12.4495 12.4495 12.8878 12.8878 13.0179 13.0179 13.0915 13.0915 13.4794 13.4794 13.7950 13.7950 14.8499 14.8499 k = 0.0000 0.5729 0.7094 ( 3596 PWs) bands (ev): -43.7947 -43.7947 -43.7840 -43.7840 -20.5749 -20.5749 -20.5461 -20.5461 -19.9582 -19.9582 -19.9343 -19.9343 -19.8623 -19.8623 -19.8535 -19.8535 2.6189 2.6189 3.9206 3.9206 4.0126 4.0126 4.5287 4.5287 6.6845 6.6845 8.8936 8.8936 10.1034 10.1034 10.2328 10.2328 10.8256 10.8256 12.4010 12.4010 12.8417 12.8417 13.0240 13.0240 13.0598 13.0598 13.4729 13.4729 13.8642 13.8642 14.8746 14.8746 k = 0.0000 0.5846 0.7239 ( 3602 PWs) bands (ev): -43.7944 -43.7944 -43.7842 -43.7842 -20.5742 -20.5742 -20.5470 -20.5470 -19.9577 -19.9577 -19.9351 -19.9351 -19.8619 -19.8619 -19.8535 -19.8535 2.6896 2.6896 3.8922 3.8922 3.9789 3.9789 4.4633 4.4633 6.6977 6.6977 8.9780 8.9780 10.1491 10.1491 10.1678 10.1678 10.8731 10.8731 12.3494 12.3494 12.7936 12.7936 12.9620 12.9620 13.0907 13.0907 13.4652 13.4652 13.9332 13.9332 14.8982 14.8982 k = 0.0000 0.5963 0.7383 ( 3606 PWs) bands (ev): -43.7941 -43.7941 -43.7845 -43.7845 -20.5735 -20.5735 -20.5480 -20.5480 -19.9572 -19.9572 -19.9359 -19.9359 -19.8615 -19.8615 -19.8535 -19.8535 2.7584 2.7584 3.8656 3.8656 3.9470 3.9470 4.3995 4.3995 6.7177 6.7177 9.0508 9.0508 10.0898 10.0898 10.2170 10.2170 10.9219 10.9219 12.2951 12.2951 12.7436 12.7436 12.8929 12.8929 13.1230 13.1230 13.4564 13.4564 14.0007 14.0007 14.9200 14.9200 k = 0.0000 0.6080 0.7528 ( 3600 PWs) bands (ev): -43.7938 -43.7938 -43.7848 -43.7848 -20.5728 -20.5728 -20.5489 -20.5489 -19.9566 -19.9566 -19.9366 -19.9366 -19.8611 -19.8611 -19.8535 -19.8535 2.8250 2.8250 3.8409 3.8409 3.9169 3.9169 4.3374 4.3374 6.7446 6.7446 9.1050 9.1050 10.0388 10.0388 10.2749 10.2749 10.9719 10.9719 12.2382 12.2382 12.6918 12.6918 12.8193 12.8193 13.1536 13.1536 13.4468 13.4468 14.0657 14.0657 14.9393 14.9393 k = 0.0000 0.6197 0.7673 ( 3604 PWs) bands (ev): -43.7935 -43.7935 -43.7851 -43.7851 -20.5721 -20.5721 -20.5498 -20.5498 -19.9561 -19.9561 -19.9374 -19.9374 -19.8606 -19.8606 -19.8536 -19.8536 2.8895 2.8895 3.8179 3.8179 3.8886 3.8886 4.2769 4.2769 6.7785 6.7785 9.1319 9.1319 10.0126 10.0126 10.3343 10.3343 11.0231 11.0231 12.1790 12.1790 12.6384 12.6384 12.7414 12.7414 13.1818 13.1818 13.4367 13.4367 14.1273 14.1273 14.9553 14.9553 k = 0.0000 0.6314 0.7818 ( 3612 PWs) bands (ev): -43.7932 -43.7932 -43.7854 -43.7854 -20.5714 -20.5714 -20.5507 -20.5507 -19.9556 -19.9556 -19.9382 -19.9382 -19.8603 -19.8603 -19.8537 -19.8537 2.9518 2.9518 3.7968 3.7968 3.8622 3.8622 4.2181 4.2181 6.8192 6.8192 9.1252 9.1252 10.0183 10.0183 10.3950 10.3950 11.0755 11.0755 12.1177 12.1177 12.5835 12.5835 12.6594 12.6594 13.2074 13.2074 13.4263 13.4263 14.1853 14.1853 14.9675 14.9675 k = 0.0000 0.6431 0.7962 ( 3612 PWs) bands (ev): -43.7929 -43.7929 -43.7857 -43.7857 -20.5707 -20.5707 -20.5516 -20.5516 -19.9550 -19.9550 -19.9389 -19.9389 -19.8598 -19.8598 -19.8537 -19.8537 3.0119 3.0119 3.7775 3.7775 3.8377 3.8377 4.1609 4.1609 6.8668 6.8668 9.0848 9.0848 10.0567 10.0567 10.4569 10.4569 11.1290 11.1290 12.0546 12.0546 12.5269 12.5269 12.5733 12.5733 13.2301 13.2301 13.4160 13.4160 14.2395 14.2395 14.9753 14.9753 k = 0.0000 0.6431 0.7962 ( 3612 PWs) bands (ev): -43.7929 -43.7929 -43.7857 -43.7857 -20.5707 -20.5707 -20.5516 -20.5516 -19.9550 -19.9550 -19.9389 -19.9389 -19.8598 -19.8598 -19.8537 -19.8537 3.0119 3.0119 3.7775 3.7775 3.8377 3.8377 4.1609 4.1609 6.8668 6.8668 9.0848 9.0848 10.0567 10.0567 10.4569 10.4569 11.1290 11.1290 12.0546 12.0546 12.5269 12.5269 12.5733 12.5733 13.2301 13.2301 13.4160 13.4160 14.2395 14.2395 14.9753 14.9753 k = 0.0114 0.6280 0.7962 ( 3614 PWs) bands (ev): -43.7931 -43.7931 -43.7856 -43.7856 -20.5710 -20.5710 -20.5512 -20.5512 -19.9553 -19.9553 -19.9385 -19.9385 -19.8602 -19.8602 -19.8536 -19.8536 2.9788 2.9788 3.7719 3.7719 3.8527 3.8527 4.2064 4.2064 6.8443 6.8443 9.1082 9.1082 10.0319 10.0319 10.4253 10.4253 11.1028 11.1028 12.0861 12.0861 12.5319 12.5319 12.6413 12.6413 13.2193 13.2193 13.4195 13.4195 14.2111 14.2111 14.9707 14.9707 k = 0.0227 0.6128 0.7962 ( 3612 PWs) bands (ev): -43.7932 -43.7932 -43.7854 -43.7854 -20.5714 -20.5714 -20.5507 -20.5507 -19.9556 -19.9556 -19.9379 -19.9379 -19.8607 -19.8607 -19.8534 -19.8534 2.9411 2.9411 3.7442 3.7442 3.8722 3.8722 4.2777 4.2777 6.8288 6.8288 9.1201 9.1201 10.0134 10.0134 10.3944 10.3944 11.0787 11.0787 12.1153 12.1153 12.5247 12.5247 12.7191 12.7191 13.2089 13.2089 13.4194 13.4194 14.1794 14.1794 14.9625 14.9625 k = 0.0341 0.5977 0.7962 ( 3606 PWs) bands (ev): -43.7934 -43.7934 -43.7853 -43.7853 -20.5716 -20.5716 -20.5502 -20.5502 -19.9559 -19.9559 -19.9372 -19.9372 -19.8614 -19.8614 -19.8531 -19.8531 2.9003 2.9003 3.7049 3.7049 3.8944 3.8944 4.3642 4.3642 6.8208 6.8208 9.1183 9.1183 10.0039 10.0039 10.3643 10.3643 11.0562 11.0562 12.1416 12.1416 12.5161 12.5161 12.7961 12.7961 13.1996 13.1996 13.4156 13.4156 14.1448 14.1448 14.9506 14.9506 k = 0.0455 0.5826 0.7962 ( 3605 PWs) bands (ev): -43.7935 -43.7935 -43.7852 -43.7852 -20.5719 -20.5719 -20.5498 -20.5498 -19.9563 -19.9563 -19.9364 -19.9364 -19.8623 -19.8623 -19.8528 -19.8528 2.8577 2.8577 3.6601 3.6601 3.9176 3.9176 4.4597 4.4597 6.8206 6.8206 9.1013 9.1013 10.0048 10.0048 10.3350 10.3350 11.0348 11.0348 12.1646 12.1646 12.5070 12.5070 12.8711 12.8711 13.1918 13.1918 13.4078 13.4078 14.1078 14.1078 14.9350 14.9350 k = 0.0568 0.5675 0.7962 ( 3605 PWs) bands (ev): -43.7936 -43.7936 -43.7850 -43.7850 -20.5721 -20.5721 -20.5493 -20.5493 -19.9566 -19.9566 -19.9355 -19.9355 -19.8632 -19.8632 -19.8525 -19.8525 2.8143 2.8143 3.6130 3.6130 3.9407 3.9407 4.5610 4.5610 6.8283 6.8283 9.0691 9.0691 10.0164 10.0164 10.3067 10.3067 11.0140 11.0140 12.1838 12.1838 12.4978 12.4978 12.9441 12.9441 13.1862 13.1862 13.3959 13.3959 14.0690 14.0690 14.9156 14.9156 k = 0.0682 0.5524 0.7962 ( 3606 PWs) bands (ev): -43.7937 -43.7937 -43.7849 -43.7849 -20.5724 -20.5724 -20.5489 -20.5489 -19.9570 -19.9570 -19.9346 -19.9346 -19.8643 -19.8643 -19.8523 -19.8523 2.7709 2.7709 3.5654 3.5654 3.9629 3.9629 4.6663 4.6663 6.8441 6.8441 9.0227 9.0227 10.0376 10.0376 10.2793 10.2793 10.9938 10.9938 12.1988 12.1988 12.4883 12.4883 13.0147 13.0147 13.1833 13.1833 13.3797 13.3797 14.0290 14.0290 14.8923 14.8923 k = 0.0795 0.5373 0.7962 ( 3604 PWs) bands (ev): -43.7939 -43.7939 -43.7848 -43.7848 -20.5726 -20.5726 -20.5484 -20.5484 -19.9572 -19.9572 -19.9336 -19.9336 -19.8653 -19.8653 -19.8520 -19.8520 2.7281 2.7281 3.5180 3.5180 3.9835 3.9835 4.7747 4.7747 6.8680 6.8680 8.9640 8.9640 10.0660 10.0660 10.2530 10.2530 10.9744 10.9744 12.2091 12.2091 12.4786 12.4786 13.0826 13.0826 13.1835 13.1835 13.3591 13.3591 13.9884 13.9884 14.8649 14.8649 k = 0.0909 0.5222 0.7962 ( 3610 PWs) bands (ev): -43.7940 -43.7940 -43.7847 -43.7847 -20.5727 -20.5727 -20.5480 -20.5480 -19.9575 -19.9575 -19.9326 -19.9326 -19.8665 -19.8665 -19.8518 -19.8518 2.6861 2.6861 3.4715 3.4715 4.0021 4.0021 4.8855 4.8855 6.9000 6.9000 8.8951 8.8951 10.0993 10.0993 10.2280 10.2280 10.9562 10.9562 12.2143 12.2143 12.4685 12.4685 13.1466 13.1466 13.1881 13.1881 13.3342 13.3342 13.9481 13.9481 14.8335 14.8335 k = 0.1023 0.5071 0.7962 ( 3611 PWs) bands (ev): -43.7941 -43.7941 -43.7846 -43.7846 -20.5729 -20.5729 -20.5476 -20.5476 -19.9577 -19.9577 -19.9316 -19.9316 -19.8677 -19.8677 -19.8517 -19.8517 2.6454 2.6454 3.4261 3.4261 4.0187 4.0187 4.9983 4.9983 6.9401 6.9401 8.8179 8.8179 10.1346 10.1346 10.2045 10.2045 10.9401 10.9401 12.2142 12.2142 12.4579 12.4579 13.1872 13.1872 13.2142 13.2142 13.3071 13.3071 13.9086 13.9086 14.7983 14.7983 k = 0.1136 0.4920 0.7962 ( 3614 PWs) bands (ev): -43.7941 -43.7941 -43.7846 -43.7846 -20.5729 -20.5729 -20.5473 -20.5473 -19.9579 -19.9579 -19.9305 -19.9305 -19.8689 -19.8689 -19.8516 -19.8516 2.6062 2.6062 3.3822 3.3822 4.0330 4.0330 5.1126 5.1126 6.9879 6.9879 8.7341 8.7341 10.1649 10.1649 10.1871 10.1871 10.9272 10.9272 12.2084 12.2084 12.4466 12.4466 13.1992 13.1992 13.2440 13.2440 13.3006 13.3006 13.8706 13.8706 14.7597 14.7597 k = 0.1250 0.4769 0.7962 ( 3614 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5730 -20.5730 -20.5469 -20.5469 -19.9580 -19.9580 -19.9294 -19.9294 -19.8701 -19.8701 -19.8515 -19.8515 2.5687 2.5687 3.3397 3.3397 4.0452 4.0452 5.2280 5.2280 7.0434 7.0434 8.6452 8.6452 10.1560 10.1560 10.2078 10.2078 10.9189 10.9189 12.1969 12.1969 12.4345 12.4345 13.2070 13.2070 13.2199 13.2199 13.3475 13.3475 13.8347 13.8347 14.7181 14.7181 k = 0.1364 0.4618 0.7962 ( 3605 PWs) bands (ev): -43.7943 -43.7943 -43.7844 -43.7844 -20.5730 -20.5730 -20.5465 -20.5465 -19.9580 -19.9580 -19.9282 -19.9282 -19.8713 -19.8713 -19.8515 -19.8515 2.5329 2.5329 3.2989 3.2989 4.0554 4.0554 5.3442 5.3442 7.1060 7.1060 8.5523 8.5523 10.1367 10.1367 10.2356 10.2356 10.9167 10.9167 12.1797 12.1797 12.4212 12.4212 13.1683 13.1683 13.2287 13.2287 13.4028 13.4028 13.8015 13.8015 14.6743 14.6743 k = 0.1477 0.4467 0.7962 ( 3609 PWs) bands (ev): -43.7943 -43.7943 -43.7844 -43.7844 -20.5730 -20.5730 -20.5462 -20.5462 -19.9580 -19.9580 -19.9270 -19.9270 -19.8726 -19.8726 -19.8515 -19.8515 2.4991 2.4991 3.2599 3.2599 4.0638 4.0638 5.4605 5.4605 7.1756 7.1756 8.4566 8.4566 10.1179 10.1179 10.2579 10.2579 10.9219 10.9219 12.1569 12.1569 12.4066 12.4066 13.1168 13.1168 13.2454 13.2454 13.4575 13.4575 13.7715 13.7715 14.6289 14.6289 k = 0.1591 0.4316 0.7962 ( 3610 PWs) bands (ev): -43.7944 -43.7944 -43.7844 -43.7844 -20.5730 -20.5730 -20.5459 -20.5459 -19.9580 -19.9580 -19.9259 -19.9259 -19.8739 -19.8739 -19.8516 -19.8516 2.4673 2.4673 3.2226 3.2226 4.0708 4.0708 5.5764 5.5764 7.2516 7.2516 8.3591 8.3591 10.1003 10.1003 10.2728 10.2728 10.9353 10.9353 12.1286 12.1286 12.3903 12.3903 13.0593 13.0593 13.2637 13.2637 13.5101 13.5101 13.7451 13.7451 14.5829 14.5829 k = 0.1705 0.4165 0.7962 ( 3606 PWs) bands (ev): -43.7944 -43.7944 -43.7843 -43.7843 -20.5728 -20.5728 -20.5456 -20.5456 -19.9579 -19.9579 -19.9247 -19.9247 -19.8752 -19.8752 -19.8518 -19.8518 2.4376 2.4376 3.1871 3.1871 4.0765 4.0765 5.6911 5.6911 7.3337 7.3337 8.2612 8.2612 10.0840 10.0840 10.2802 10.2802 10.9571 10.9571 12.0951 12.0951 12.3720 12.3720 12.9966 12.9966 13.2827 13.2827 13.5601 13.5601 13.7229 13.7229 14.5372 14.5372 k = 0.1818 0.4013 0.7962 ( 3604 PWs) bands (ev): -43.7944 -43.7944 -43.7843 -43.7843 -20.5727 -20.5727 -20.5454 -20.5454 -19.9577 -19.9577 -19.9236 -19.9236 -19.8765 -19.8765 -19.8520 -19.8520 2.4101 2.4101 3.1534 3.1534 4.0814 4.0814 5.8036 5.8036 7.4215 7.4215 8.1642 8.1642 10.0692 10.0692 10.2806 10.2806 10.9864 10.9864 12.0567 12.0567 12.3512 12.3512 12.9291 12.9291 13.3016 13.3016 13.6072 13.6072 13.7052 13.7052 14.4929 14.4929 k = 0.1932 0.3862 0.7962 ( 3604 PWs) bands (ev): -43.7944 -43.7944 -43.7843 -43.7843 -20.5725 -20.5725 -20.5452 -20.5452 -19.9575 -19.9575 -19.9224 -19.9224 -19.8778 -19.8778 -19.8522 -19.8522 2.3847 2.3847 3.1216 3.1216 4.0857 4.0857 5.9125 5.9125 7.5145 7.5145 8.0697 8.0697 10.0559 10.0559 10.2752 10.2752 11.0217 11.0217 12.0140 12.0140 12.3275 12.3275 12.8572 12.8572 13.3196 13.3196 13.6508 13.6508 13.6926 13.6926 14.4511 14.4511 k = 0.2045 0.3711 0.7962 ( 3606 PWs) bands (ev): -43.7944 -43.7944 -43.7843 -43.7843 -20.5724 -20.5724 -20.5450 -20.5450 -19.9573 -19.9573 -19.9213 -19.9213 -19.8791 -19.8791 -19.8525 -19.8525 2.3615 2.3615 3.0916 3.0916 4.0898 4.0898 6.0158 6.0158 7.6122 7.6122 7.9800 7.9800 10.0440 10.0440 10.2657 10.2657 11.0612 11.0612 11.9672 11.9672 12.3002 12.3002 12.7817 12.7817 13.3361 13.3361 13.6851 13.6851 13.6908 13.6908 14.4131 14.4131 k = 0.2159 0.3560 0.7962 ( 3602 PWs) bands (ev): -43.7944 -43.7944 -43.7844 -43.7844 -20.5721 -20.5721 -20.5449 -20.5449 -19.9570 -19.9570 -19.9202 -19.9202 -19.8803 -19.8803 -19.8528 -19.8528 2.3407 2.3407 3.0634 3.0634 4.0939 4.0939 6.1111 6.1111 7.7144 7.7144 7.8978 7.8978 10.0337 10.0337 10.2536 10.2536 11.1033 11.1033 11.9169 11.9169 12.2688 12.2688 12.7033 12.7033 13.3504 13.3504 13.6843 13.6843 13.7252 13.7252 14.3802 14.3802 k = 0.2273 0.3409 0.7962 ( 3608 PWs) bands (ev): -43.7943 -43.7943 -43.7844 -43.7844 -20.5719 -20.5719 -20.5449 -20.5449 -19.9566 -19.9566 -19.9192 -19.9192 -19.8815 -19.8815 -19.8532 -19.8532 2.3221 2.3221 3.0370 3.0370 4.0983 4.0983 6.1947 6.1947 7.8199 7.8199 7.8276 7.8276 10.0250 10.0250 10.2400 10.2400 11.1461 11.1461 11.8637 11.8637 12.2322 12.2322 12.6230 12.6230 13.3622 13.3622 13.6892 13.6892 13.7546 13.7546 14.3536 14.3536 k = 0.2386 0.3258 0.7962 ( 3610 PWs) bands (ev): -43.7943 -43.7943 -43.7845 -43.7845 -20.5716 -20.5716 -20.5448 -20.5448 -19.9562 -19.9562 -19.9182 -19.9182 -19.8827 -19.8827 -19.8536 -19.8536 2.3058 2.3058 3.0125 3.0125 4.1033 4.1033 6.2625 6.2625 7.7719 7.7719 7.9303 7.9303 10.0180 10.0180 10.2262 10.2262 11.1881 11.1881 11.8081 11.8081 12.1895 12.1895 12.5420 12.5420 13.3719 13.3719 13.6998 13.6998 13.7777 13.7777 14.3345 14.3345 k = 0.2500 0.3107 0.7962 ( 3612 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5713 -20.5713 -20.5448 -20.5448 -19.9558 -19.9558 -19.9173 -19.9173 -19.8839 -19.8839 -19.8541 -19.8541 2.2919 2.2919 2.9896 2.9896 4.1091 4.1091 6.3095 6.3095 7.7377 7.7377 8.0432 8.0432 10.0126 10.0126 10.2130 10.2130 11.2276 11.2276 11.7510 11.7510 12.1392 12.1392 12.4619 12.4619 13.3799 13.3799 13.7157 13.7157 13.7945 13.7945 14.3236 14.3236 k = 0.2614 0.2956 0.7962 ( 3612 PWs) bands (ev): -43.7941 -43.7941 -43.7846 -43.7846 -20.5709 -20.5709 -20.5449 -20.5449 -19.9553 -19.9553 -19.9164 -19.9164 -19.8849 -19.8849 -19.8546 -19.8546 2.2803 2.2803 2.9684 2.9684 4.1159 4.1159 6.3315 6.3315 7.7288 7.7288 8.1589 8.1589 10.0089 10.0089 10.2011 10.2011 11.2628 11.2628 11.6933 11.6933 12.0801 12.0801 12.3843 12.3843 13.3873 13.3873 13.7362 13.7362 13.8050 13.8050 14.3209 14.3209 k = 0.2727 0.2805 0.7962 ( 3612 PWs) bands (ev): -43.7940 -43.7940 -43.7847 -43.7847 -20.5706 -20.5706 -20.5450 -20.5450 -19.9548 -19.9548 -19.9156 -19.9156 -19.8859 -19.8859 -19.8551 -19.8551 2.2710 2.2710 2.9488 2.9488 4.1239 4.1239 6.3266 6.3266 7.7472 7.7472 8.2771 8.2771 10.0069 10.0069 10.1911 10.1911 11.2915 11.2915 11.6366 11.6366 12.0112 12.0112 12.3105 12.3105 13.3949 13.3949 13.7602 13.7602 13.8103 13.8103 14.3257 14.3257 k = 0.2841 0.2654 0.7962 ( 3616 PWs) bands (ev): -43.7939 -43.7939 -43.7848 -43.7848 -20.5702 -20.5702 -20.5451 -20.5451 -19.9543 -19.9543 -19.9149 -19.9149 -19.8869 -19.8869 -19.8556 -19.8556 2.2642 2.2642 2.9308 2.9308 4.1333 4.1333 6.2959 6.2959 7.7922 7.7922 8.3972 8.3972 10.0067 10.0067 10.1834 10.1834 11.3102 11.3102 11.5839 11.5839 11.9325 11.9325 12.2409 12.2409 13.4039 13.4039 13.7866 13.7866 13.8123 13.8123 14.3368 14.3368 k = 0.2955 0.2503 0.7962 ( 3618 PWs) bands (ev): -43.7938 -43.7938 -43.7850 -43.7850 -20.5697 -20.5697 -20.5453 -20.5453 -19.9537 -19.9537 -19.9143 -19.9143 -19.8877 -19.8877 -19.8561 -19.8561 2.2597 2.2597 2.9142 2.9142 4.1443 4.1443 6.2429 6.2429 7.8600 7.8600 8.5190 8.5190 10.0084 10.0084 10.1785 10.1785 11.3138 11.3138 11.5397 11.5397 11.8452 11.8452 12.1749 12.1749 13.4150 13.4150 13.8052 13.8052 13.8219 13.8219 14.3526 14.3526 k = 0.3068 0.2352 0.7962 ( 3616 PWs) bands (ev): -43.7937 -43.7937 -43.7851 -43.7851 -20.5692 -20.5692 -20.5456 -20.5456 -19.9531 -19.9531 -19.9138 -19.9138 -19.8885 -19.8885 -19.8567 -19.8567 2.2576 2.2576 2.8989 2.8989 4.1569 4.1569 6.1725 6.1725 7.9461 7.9461 8.6420 8.6420 10.0120 10.0120 10.1767 10.1767 11.2965 11.2965 11.5095 11.5095 11.7508 11.7508 12.1114 12.1114 13.4290 13.4290 13.8047 13.8047 13.8514 13.8514 14.3717 14.3717 k = 0.3182 0.2201 0.7962 ( 3619 PWs) bands (ev): -43.7935 -43.7935 -43.7852 -43.7852 -20.5687 -20.5687 -20.5459 -20.5459 -19.9525 -19.9525 -19.9134 -19.9134 -19.8891 -19.8891 -19.8573 -19.8573 2.2579 2.2579 2.8847 2.8847 4.1713 4.1713 6.0894 6.0894 8.0458 8.0458 8.7656 8.7656 10.0175 10.0175 10.1782 10.1782 11.2583 11.2583 11.4931 11.4931 11.6511 11.6511 12.0492 12.0492 13.4463 13.4463 13.8021 13.8021 13.8848 13.8848 14.3926 14.3926 k = 0.3295 0.2049 0.7962 ( 3622 PWs) bands (ev): -43.7934 -43.7934 -43.7854 -43.7854 -20.5682 -20.5682 -20.5462 -20.5462 -19.9518 -19.9518 -19.9131 -19.9131 -19.8896 -19.8896 -19.8579 -19.8579 2.2606 2.2606 2.8716 2.8716 4.1876 4.1876 5.9973 5.9973 8.1553 8.1553 8.8895 8.8895 10.0251 10.0251 10.1833 10.1833 11.2058 11.2058 11.4837 11.4837 11.5477 11.5477 11.9874 11.9874 13.4672 13.4672 13.7997 13.7997 13.9200 13.9200 14.4144 14.4144 k = 0.3409 0.1898 0.7962 ( 3623 PWs) bands (ev): -43.7932 -43.7932 -43.7856 -43.7856 -20.5677 -20.5677 -20.5466 -20.5466 -19.9512 -19.9512 -19.9130 -19.9130 -19.8900 -19.8900 -19.8584 -19.8584 2.2657 2.2657 2.8594 2.8594 4.2059 4.2059 5.8993 5.8993 8.2717 8.2717 9.0130 9.0130 10.0348 10.0348 10.1923 10.1923 11.1454 11.1454 11.4415 11.4415 11.4753 11.4753 11.9255 11.9255 13.4916 13.4916 13.7985 13.7985 13.9568 13.9568 14.4363 14.4363 k = 0.3523 0.1747 0.7962 ( 3625 PWs) bands (ev): -43.7930 -43.7930 -43.7858 -43.7858 -20.5671 -20.5671 -20.5470 -20.5470 -19.9505 -19.9505 -19.9129 -19.9129 -19.8903 -19.8903 -19.8590 -19.8590 2.2733 2.2733 2.8477 2.8477 4.2263 4.2263 5.7976 5.7976 8.3927 8.3927 9.1355 9.1355 10.0469 10.0469 10.2054 10.2054 11.0809 11.0809 11.3341 11.3341 11.4637 11.4637 11.8630 11.8630 13.5194 13.5194 13.7985 13.7985 13.9949 13.9949 14.4574 14.4574 k = 0.3636 0.1596 0.7962 ( 3623 PWs) bands (ev): -43.7928 -43.7928 -43.7860 -43.7860 -20.5664 -20.5664 -20.5475 -20.5475 -19.9499 -19.9499 -19.9130 -19.9130 -19.8905 -19.8905 -19.8596 -19.8596 2.2832 2.2832 2.8365 2.8365 4.2488 4.2488 5.6940 5.6940 8.5163 8.5163 9.2560 9.2560 10.0615 10.0615 10.2228 10.2228 11.0142 11.0142 11.2260 11.2260 11.4480 11.4480 11.7999 11.7999 13.5500 13.5500 13.8001 13.8001 14.0345 14.0345 14.4775 14.4775 k = 0.3750 0.1445 0.7962 ( 3629 PWs) bands (ev): -43.7926 -43.7926 -43.7862 -43.7862 -20.5658 -20.5658 -20.5480 -20.5480 -19.9492 -19.9492 -19.9131 -19.9131 -19.8907 -19.8907 -19.8602 -19.8602 2.2956 2.2956 2.8253 2.8253 4.2734 4.2734 5.5900 5.5900 8.6410 8.6410 9.3735 9.3735 10.0788 10.0788 10.2447 10.2447 10.9465 10.9465 11.1183 11.1183 11.4274 11.4274 11.7361 11.7361 13.5828 13.5828 13.8032 13.8032 14.0755 14.0755 14.4960 14.4960 k = 0.3864 0.1294 0.7962 ( 3629 PWs) bands (ev): -43.7924 -43.7924 -43.7864 -43.7864 -20.5651 -20.5651 -20.5486 -20.5486 -19.9486 -19.9486 -19.9133 -19.9133 -19.8907 -19.8907 -19.8607 -19.8607 2.3104 2.3104 2.8139 2.8139 4.3002 4.3002 5.4868 5.4868 8.7654 8.7654 9.4868 9.4868 10.0990 10.0990 10.2712 10.2712 10.8786 10.8786 11.0120 11.0120 11.4020 11.4020 11.6718 11.6718 13.6169 13.6169 13.8076 13.8076 14.1180 14.1180 14.5128 14.5128 k = 0.3977 0.1143 0.7962 ( 3627 PWs) bands (ev): -43.7921 -43.7921 -43.7867 -43.7867 -20.5644 -20.5644 -20.5492 -20.5492 -19.9480 -19.9480 -19.9136 -19.9136 -19.8907 -19.8907 -19.8611 -19.8611 2.3276 2.3276 2.8019 2.8019 4.3293 4.3293 5.3854 5.3854 8.8885 8.8885 9.5940 9.5940 10.1222 10.1222 10.3023 10.3023 10.8113 10.8113 10.9087 10.9087 11.3720 11.3720 11.6070 11.6070 13.6516 13.6516 13.8132 13.8132 14.1619 14.1619 14.5277 14.5277 k = 0.4091 0.0992 0.7962 ( 3627 PWs) bands (ev): -43.7918 -43.7918 -43.7869 -43.7869 -20.5637 -20.5637 -20.5498 -20.5498 -19.9474 -19.9474 -19.9139 -19.9139 -19.8906 -19.8906 -19.8616 -19.8616 2.3472 2.3472 2.7890 2.7890 4.3606 4.3606 5.2867 5.2867 9.0089 9.0089 9.6931 9.6931 10.1477 10.1477 10.3374 10.3374 10.7457 10.7457 10.8109 10.8109 11.3380 11.3380 11.5418 11.5418 13.6857 13.6857 13.8198 13.8198 14.2073 14.2073 14.5405 14.5405 k = 0.4205 0.0841 0.7962 ( 3627 PWs) bands (ev): -43.7916 -43.7916 -43.7872 -43.7872 -20.5629 -20.5629 -20.5505 -20.5505 -19.9468 -19.9468 -19.9142 -19.9142 -19.8905 -19.8905 -19.8620 -19.8620 2.3692 2.3692 2.7746 2.7746 4.3941 4.3941 5.1916 5.1916 9.1258 9.1258 9.7817 9.7817 10.1731 10.1731 10.3747 10.3747 10.6838 10.6838 10.7230 10.7230 11.3006 11.3006 11.4766 11.4766 13.7184 13.7184 13.8270 13.8270 14.2540 14.2540 14.5513 14.5513 k = 0.4318 0.0690 0.7962 ( 3631 PWs) bands (ev): -43.7913 -43.7913 -43.7875 -43.7875 -20.5621 -20.5621 -20.5513 -20.5513 -19.9464 -19.9464 -19.9145 -19.9145 -19.8904 -19.8904 -19.8624 -19.8624 2.3937 2.3937 2.7583 2.7583 4.4298 4.4298 5.1008 5.1008 9.2380 9.2380 9.8575 9.8575 10.1916 10.1916 10.4087 10.4087 10.6315 10.6315 10.6535 10.6535 11.2605 11.2605 11.4116 11.4116 13.7489 13.7489 13.8345 13.8345 14.3019 14.3019 14.5601 14.5601 k = 0.4432 0.0539 0.7962 ( 3627 PWs) bands (ev): -43.7910 -43.7910 -43.7878 -43.7878 -20.5613 -20.5613 -20.5520 -20.5520 -19.9459 -19.9459 -19.9148 -19.9148 -19.8903 -19.8903 -19.8627 -19.8627 2.4206 2.4206 2.7395 2.7395 4.4678 4.4678 5.0152 5.0152 9.3449 9.3449 9.9188 9.9188 10.1915 10.1915 10.4231 10.4231 10.6046 10.6046 10.6154 10.6154 11.2187 11.2187 11.3472 11.3472 13.7763 13.7763 13.8420 13.8420 14.3505 14.3505 14.5670 14.5670 k = 0.4545 0.0388 0.7962 ( 3624 PWs) bands (ev): -43.7907 -43.7907 -43.7881 -43.7881 -20.5605 -20.5605 -20.5528 -20.5528 -19.9455 -19.9455 -19.9151 -19.9151 -19.8901 -19.8901 -19.8629 -19.8629 2.4499 2.4499 2.7178 2.7178 4.5079 4.5079 4.9356 4.9356 9.4457 9.4457 9.9624 9.9624 10.1663 10.1663 10.3997 10.3997 10.6161 10.6161 10.6219 10.6219 11.1766 11.1766 11.2842 11.2842 13.8003 13.8003 13.8489 13.8489 14.3995 14.3995 14.5725 14.5725 k = 0.4659 0.0237 0.7962 ( 3628 PWs) bands (ev): -43.7904 -43.7904 -43.7884 -43.7884 -20.5597 -20.5597 -20.5535 -20.5535 -19.9453 -19.9453 -19.9153 -19.9153 -19.8900 -19.8900 -19.8631 -19.8631 2.4817 2.4817 2.6926 2.6926 4.5502 4.5502 4.8626 4.8626 9.5399 9.5399 9.9760 9.9760 10.1345 10.1345 10.3511 10.3511 10.6504 10.6504 10.6661 10.6661 11.1366 11.1366 11.2235 11.2235 13.8205 13.8205 13.8548 13.8548 14.4483 14.4483 14.5769 14.5769 k = 0.4773 0.0085 0.7962 ( 3620 PWs) bands (ev): -43.7901 -43.7901 -43.7887 -43.7887 -20.5589 -20.5589 -20.5543 -20.5543 -19.9450 -19.9450 -19.9155 -19.9155 -19.8899 -19.8899 -19.8632 -19.8632 2.5159 2.5159 2.6634 2.6634 4.5945 4.5945 4.7969 4.7969 9.6272 9.6272 9.9392 9.9392 10.1303 10.1303 10.2938 10.2938 10.7000 10.7000 10.7186 10.7186 11.1027 11.1027 11.1675 11.1675 13.8367 13.8367 13.8591 13.8591 14.4960 14.4960 14.5807 14.5807 k = 0.4886-0.0066 0.7962 ( 3618 PWs) bands (ev): -43.7897 -43.7897 -43.7891 -43.7891 -20.5582 -20.5582 -20.5550 -20.5550 -19.9449 -19.9449 -19.9156 -19.9156 -19.8898 -19.8898 -19.8633 -19.8633 2.5524 2.5524 2.6298 2.6298 4.6409 4.6409 4.7390 4.7390 9.7072 9.7072 9.8658 9.8658 10.1501 10.1501 10.2349 10.2349 10.7502 10.7502 10.7638 10.7638 11.0836 11.0836 11.1206 11.1206 13.8491 13.8491 13.8614 13.8614 14.5420 14.5420 14.5847 14.5847 k = 0.5000-0.0217 0.7962 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9449 -19.9449 -19.9157 -19.9157 -19.8898 -19.8898 -19.8633 -19.8633 2.5896 2.5896 2.5934 2.5934 4.6872 4.6872 4.6914 4.6914 9.7778 9.7778 9.7793 9.7793 10.1729 10.1729 10.1821 10.1821 10.7853 10.7853 10.7867 10.7867 11.0913 11.0913 11.0919 11.0919 13.8565 13.8565 13.8624 13.8624 14.5809 14.5809 14.5942 14.5942 k = 0.5000-0.0217 0.7962 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9449 -19.9449 -19.9157 -19.9157 -19.8898 -19.8898 -19.8633 -19.8633 2.5896 2.5896 2.5934 2.5934 4.6872 4.6872 4.6914 4.6914 9.7778 9.7778 9.7793 9.7793 10.1729 10.1729 10.1821 10.1821 10.7853 10.7853 10.7867 10.7867 11.0913 11.0913 11.0919 11.0919 13.8565 13.8565 13.8624 13.8624 14.5809 14.5809 14.5942 14.5942 k = 0.5000-0.0332 0.7820 ( 3610 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9448 -19.9448 -19.9159 -19.9159 -19.8896 -19.8896 -19.8633 -19.8633 2.5868 2.5868 2.5906 2.5906 4.6954 4.6954 4.6995 4.6995 9.7505 9.7505 9.7510 9.7510 10.1486 10.1486 10.1564 10.1564 10.8146 10.8146 10.8158 10.8158 11.1020 11.1020 11.1024 11.1024 13.8603 13.8603 13.8652 13.8652 14.6276 14.6276 14.6405 14.6405 k = 0.5000-0.0447 0.7677 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9448 -19.9448 -19.9161 -19.9161 -19.8894 -19.8894 -19.8633 -19.8633 2.5795 2.5795 2.5832 2.5832 4.7120 4.7120 4.7160 4.7160 9.7147 9.7147 9.7152 9.7152 10.1261 10.1261 10.1324 10.1324 10.8440 10.8440 10.8448 10.8448 11.1155 11.1155 11.1157 11.1157 13.8609 13.8609 13.8647 13.8647 14.6750 14.6750 14.6876 14.6876 k = 0.5000-0.0563 0.7534 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9448 -19.9448 -19.9164 -19.9164 -19.8891 -19.8891 -19.8634 -19.8634 2.5678 2.5678 2.5714 2.5714 4.7369 4.7369 4.7408 4.7408 9.6714 9.6714 9.6729 9.6729 10.1054 10.1054 10.1102 10.1102 10.8734 10.8734 10.8738 10.8738 11.1308 11.1308 11.1308 11.1308 13.8586 13.8586 13.8614 13.8614 14.7228 14.7228 14.7350 14.7350 k = 0.5000-0.0678 0.7391 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9447 -19.9447 -19.9167 -19.9167 -19.8888 -19.8888 -19.8634 -19.8634 2.5522 2.5522 2.5557 2.5557 4.7696 4.7696 4.7734 4.7734 9.6222 9.6222 9.6246 9.6246 10.0862 10.0862 10.0898 10.0898 10.9028 10.9028 10.9029 10.9029 11.1464 11.1464 11.1464 11.1464 13.8541 13.8541 13.8558 13.8558 14.7702 14.7702 14.7821 14.7821 k = 0.5000-0.0793 0.7248 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5578 -20.5578 -20.5553 -20.5553 -19.9445 -19.9445 -19.9170 -19.9170 -19.8885 -19.8885 -19.8635 -19.8635 2.5330 2.5330 2.5364 2.5364 4.8097 4.8097 4.8133 4.8133 9.5683 9.5683 9.5715 9.5715 10.0684 10.0684 10.0708 10.0708 10.9318 10.9318 10.9321 10.9321 11.1612 11.1612 11.1613 11.1613 13.8480 13.8480 13.8486 13.8486 14.8168 14.8168 14.8285 14.8285 k = 0.5000-0.0909 0.7106 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5578 -20.5578 -20.5553 -20.5553 -19.9443 -19.9443 -19.9173 -19.9173 -19.8881 -19.8881 -19.8636 -19.8636 2.5108 2.5108 2.5141 2.5141 4.8567 4.8567 4.8601 4.8601 9.5107 9.5107 9.5145 9.5145 10.0519 10.0519 10.0532 10.0532 10.9607 10.9607 10.9612 10.9612 11.1741 11.1741 11.1742 11.1742 13.8406 13.8406 13.8411 13.8411 14.8617 14.8617 14.8732 14.8732 k = 0.5000-0.1024 0.6963 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5578 -20.5578 -20.5553 -20.5553 -19.9442 -19.9442 -19.9178 -19.9178 -19.8877 -19.8877 -19.8638 -19.8638 2.4860 2.4860 2.4891 2.4891 4.9100 4.9100 4.9133 4.9133 9.4501 9.4501 9.4545 9.4545 10.0364 10.0364 10.0369 10.0369 10.9892 10.9892 10.9901 10.9901 11.1840 11.1840 11.1841 11.1841 13.8327 13.8327 13.8342 13.8342 14.9042 14.9042 14.9155 14.9155 k = 0.5000-0.1139 0.6820 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5577 -20.5577 -20.5553 -20.5553 -19.9440 -19.9440 -19.9182 -19.9182 -19.8872 -19.8872 -19.8639 -19.8639 2.4591 2.4591 2.4620 2.4620 4.9692 4.9692 4.9723 4.9723 9.3873 9.3873 9.3922 9.3922 10.0216 10.0216 10.0220 10.0220 11.0171 11.0171 11.0184 11.0184 11.1903 11.1903 11.1903 11.1903 13.8255 13.8255 13.8280 13.8280 14.9436 14.9436 14.9547 14.9547 k = 0.5000-0.1255 0.6677 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5577 -20.5577 -20.5553 -20.5553 -19.9438 -19.9438 -19.9186 -19.9186 -19.8868 -19.8868 -19.8640 -19.8640 2.4306 2.4306 2.4333 2.4333 5.0337 5.0337 5.0365 5.0365 9.3228 9.3228 9.3280 9.3280 10.0074 10.0074 10.0086 10.0086 11.0436 11.0436 11.0454 11.0454 11.1927 11.1927 11.1929 11.1929 13.8195 13.8195 13.8230 13.8230 14.9796 14.9796 14.9903 14.9903 k = 0.5000-0.1370 0.6534 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5576 -20.5576 -20.5553 -20.5553 -19.9435 -19.9435 -19.9191 -19.9191 -19.8863 -19.8863 -19.8642 -19.8642 2.4008 2.4008 2.4034 2.4034 5.1029 5.1029 5.1056 5.1056 9.2569 9.2569 9.2625 9.2625 9.9943 9.9943 9.9962 9.9962 11.0673 11.0673 11.0697 11.0697 11.1921 11.1921 11.1926 11.1926 13.8152 13.8152 13.8195 13.8195 15.0121 15.0121 15.0221 15.0221 k = 0.5000-0.1486 0.6391 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5575 -20.5575 -20.5553 -20.5553 -19.9432 -19.9432 -19.9196 -19.9196 -19.8858 -19.8858 -19.8644 -19.8644 2.3703 2.3703 2.3728 2.3728 5.1765 5.1765 5.1790 5.1790 9.1901 9.1901 9.1960 9.1960 9.9822 9.9822 9.9848 9.9848 11.0845 11.0845 11.0877 11.0877 11.1915 11.1915 11.1924 11.1924 13.8126 13.8126 13.8178 13.8178 15.0417 15.0417 15.0506 15.0506 k = 0.5000-0.1601 0.6249 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5575 -20.5575 -20.5553 -20.5553 -19.9429 -19.9429 -19.9201 -19.9201 -19.8853 -19.8853 -19.8646 -19.8646 2.3393 2.3393 2.3417 2.3417 5.2540 5.2540 5.2563 5.2563 9.1225 9.1225 9.1286 9.1286 9.9712 9.9712 9.9744 9.9744 11.0894 11.0894 11.0932 11.0932 11.1970 11.1970 11.1982 11.1982 13.8116 13.8116 13.8176 13.8176 15.0695 15.0695 15.0771 15.0771 k = 0.5000-0.1716 0.6106 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5574 -20.5574 -20.5553 -20.5553 -19.9426 -19.9426 -19.9206 -19.9206 -19.8847 -19.8847 -19.8648 -19.8648 2.3083 2.3083 2.3105 2.3105 5.3349 5.3349 5.3371 5.3371 9.0542 9.0542 9.0605 9.0605 9.9613 9.9613 9.9652 9.9652 11.0782 11.0782 11.0821 11.0821 11.2126 11.2126 11.2135 11.2135 13.8119 13.8119 13.8187 13.8187 15.0972 15.0972 15.1031 15.1031 k = 0.5000-0.1832 0.5963 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5573 -20.5573 -20.5553 -20.5553 -19.9423 -19.9423 -19.9211 -19.9211 -19.8841 -19.8841 -19.8650 -19.8650 2.2775 2.2775 2.2795 2.2795 5.4190 5.4190 5.4209 5.4209 8.9855 8.9855 8.9919 8.9919 9.9525 9.9525 9.9570 9.9570 11.0537 11.0537 11.0575 11.0575 11.2354 11.2354 11.2359 11.2359 13.8132 13.8132 13.8207 13.8207 15.1262 15.1262 15.1304 15.1304 k = 0.5000-0.1947 0.5820 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5573 -20.5573 -20.5553 -20.5553 -19.9419 -19.9419 -19.9217 -19.9217 -19.8836 -19.8836 -19.8653 -19.8653 2.2471 2.2471 2.2490 2.2490 5.5057 5.5057 5.5075 5.5075 8.9162 8.9162 8.9228 8.9228 9.9450 9.9450 9.9501 9.9501 11.0196 11.0196 11.0234 11.0234 11.2617 11.2617 11.2618 11.2618 13.8147 13.8147 13.8228 13.8228 15.1581 15.1581 15.1606 15.1606 k = 0.5000-0.2062 0.5677 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5571 -20.5571 -20.5553 -20.5553 -19.9415 -19.9415 -19.9222 -19.9222 -19.8830 -19.8830 -19.8656 -19.8656 2.2174 2.2174 2.2192 2.2192 5.5949 5.5949 5.5964 5.5964 8.8466 8.8466 8.8532 8.8532 9.9387 9.9387 9.9444 9.9444 10.9784 10.9784 10.9824 10.9824 11.2894 11.2894 11.2896 11.2896 13.8160 13.8160 13.8246 13.8246 15.1940 15.1940 15.1948 15.1948 k = 0.5000-0.2178 0.5534 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5571 -20.5571 -20.5553 -20.5553 -19.9411 -19.9411 -19.9228 -19.9228 -19.8824 -19.8824 -19.8659 -19.8659 2.1886 2.1886 2.1902 2.1902 5.6861 5.6861 5.6875 5.6875 8.7765 8.7765 8.7832 8.7832 9.9337 9.9337 9.9400 9.9400 10.9318 10.9318 10.9359 10.9359 11.3176 11.3176 11.3180 11.3180 13.8166 13.8166 13.8255 13.8255 15.2338 15.2338 15.2345 15.2345 k = 0.5000-0.2293 0.5392 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5570 -20.5570 -20.5553 -20.5553 -19.9407 -19.9407 -19.9234 -19.9234 -19.8817 -19.8817 -19.8662 -19.8662 2.1608 2.1608 2.1623 2.1623 5.7790 5.7790 5.7802 5.7802 8.7060 8.7060 8.7126 8.7126 9.9301 9.9301 9.9369 9.9369 10.8807 10.8807 10.8851 10.8851 11.3458 11.3458 11.3464 11.3464 13.8159 13.8159 13.8251 13.8251 15.2775 15.2775 15.2797 15.2797 k = 0.5000-0.2408 0.5249 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5569 -20.5569 -20.5553 -20.5553 -19.9402 -19.9402 -19.9240 -19.9240 -19.8812 -19.8812 -19.8665 -19.8665 2.1343 2.1343 2.1357 2.1357 5.8733 5.8733 5.8743 5.8743 8.6350 8.6350 8.6415 8.6415 9.9280 9.9280 9.9353 9.9353 10.8264 10.8264 10.8311 10.8311 11.3739 11.3739 11.3746 11.3746 13.8139 13.8139 13.8231 13.8231 15.3257 15.3257 15.3291 15.3291 k = 0.5000-0.2524 0.5106 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5568 -20.5568 -20.5553 -20.5553 -19.9397 -19.9397 -19.9245 -19.9245 -19.8805 -19.8805 -19.8669 -19.8669 2.1091 2.1091 2.1104 2.1104 5.9686 5.9686 5.9694 5.9694 8.5634 8.5634 8.5699 8.5699 9.9274 9.9274 9.9353 9.9353 10.7696 10.7696 10.7748 10.7748 11.4013 11.4013 11.4021 11.4021 13.8103 13.8103 13.8194 13.8194 15.3772 15.3772 15.3819 15.3819 k = 0.5000-0.2639 0.4963 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5567 -20.5567 -20.5553 -20.5553 -19.9393 -19.9393 -19.9252 -19.9252 -19.8799 -19.8799 -19.8672 -19.8672 2.0854 2.0854 2.0866 2.0866 6.0646 6.0646 6.0652 6.0652 8.4914 8.4914 8.4977 8.4977 9.9285 9.9285 9.9369 9.9369 10.7113 10.7113 10.7169 10.7169 11.4280 11.4280 11.4288 11.4288 13.8052 13.8052 13.8141 13.8141 15.4308 15.4308 15.4365 15.4365 k = 0.5000-0.2754 0.4820 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5566 -20.5566 -20.5554 -20.5554 -19.9388 -19.9388 -19.9258 -19.9258 -19.8793 -19.8793 -19.8676 -19.8676 2.0633 2.0633 2.0643 2.0643 6.1609 6.1609 6.1613 6.1613 8.4188 8.4188 8.4249 8.4249 9.9313 9.9313 9.9402 9.9402 10.6524 10.6524 10.6584 10.6584 11.4537 11.4537 11.4545 11.4545 13.7988 13.7988 13.8073 13.8073 15.4844 15.4844 15.4910 15.4910 k = 0.5000-0.2870 0.4677 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5566 -20.5566 -20.5554 -20.5554 -19.9383 -19.9383 -19.9264 -19.9264 -19.8787 -19.8787 -19.8680 -19.8680 2.0428 2.0428 2.0438 2.0438 6.2570 6.2570 6.2573 6.2573 8.3458 8.3458 8.3517 8.3517 9.9360 9.9360 9.9453 9.9453 10.5934 10.5934 10.6000 10.6000 11.4781 11.4781 11.4789 11.4789 13.7914 13.7914 13.7994 13.7994 15.5358 15.5358 15.5431 15.5431 k = 0.5000-0.2985 0.4535 ( 3638 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5565 -20.5565 -20.5554 -20.5554 -19.9378 -19.9378 -19.9270 -19.9270 -19.8781 -19.8781 -19.8685 -19.8685 2.0241 2.0241 2.0249 2.0249 6.3525 6.3525 6.3525 6.3525 8.2725 8.2725 8.2781 8.2781 9.9427 9.9427 9.9524 9.9524 10.5352 10.5352 10.5422 10.5422 11.5010 11.5010 11.5019 11.5019 13.7833 13.7833 13.7907 13.7907 15.5827 15.5827 15.5900 15.5900 k = 0.5000-0.3100 0.4392 ( 3638 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5564 -20.5564 -20.5555 -20.5555 -19.9372 -19.9372 -19.9276 -19.9276 -19.8775 -19.8775 -19.8689 -19.8689 2.0072 2.0072 2.0079 2.0079 6.4464 6.4464 6.4466 6.4466 8.1993 8.1993 8.2046 8.2046 9.9515 9.9515 9.9615 9.9615 10.4783 10.4783 10.4858 10.4858 11.5223 11.5223 11.5231 11.5231 13.7747 13.7747 13.7816 13.7816 15.6219 15.6219 15.6260 15.6260 k = 0.5000-0.3216 0.4249 ( 3634 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5563 -20.5563 -20.5555 -20.5555 -19.9367 -19.9367 -19.9282 -19.9282 -19.8769 -19.8769 -19.8693 -19.8693 1.9921 1.9921 1.9928 1.9928 6.5382 6.5382 6.5386 6.5386 8.1266 8.1266 8.1315 8.1315 9.9625 9.9625 9.9729 9.9729 10.4232 10.4232 10.4312 10.4312 11.5417 11.5417 11.5425 11.5425 13.7662 13.7662 13.7723 13.7723 15.6482 15.6482 15.6496 15.6496 k = 0.5000-0.3331 0.4106 ( 3632 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5562 -20.5562 -20.5555 -20.5555 -19.9361 -19.9361 -19.9289 -19.9289 -19.8763 -19.8763 -19.8698 -19.8698 1.9790 1.9790 1.9796 1.9796 6.6268 6.6268 6.6273 6.6273 8.0552 8.0552 8.0597 8.0597 9.9760 9.9760 9.9866 9.9866 10.3703 10.3703 10.3789 10.3789 11.5590 11.5590 11.5597 11.5597 13.7581 13.7581 13.7634 13.7634 15.6645 15.6645 15.6681 15.6681 k = 0.5000-0.3446 0.3963 ( 3628 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5561 -20.5561 -20.5555 -20.5555 -19.9355 -19.9355 -19.9295 -19.9295 -19.8757 -19.8757 -19.8702 -19.8702 1.9678 1.9678 1.9683 1.9683 6.7108 6.7108 6.7114 6.7114 7.9863 7.9863 7.9903 7.9903 9.9920 9.9920 10.0028 10.0028 10.3201 10.3201 10.3292 10.3292 11.5741 11.5741 11.5747 11.5747 13.7506 13.7506 13.7551 13.7551 15.6782 15.6782 15.6823 15.6823 k = 0.5000-0.3562 0.3821 ( 3624 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5560 -20.5560 -20.5555 -20.5555 -19.9349 -19.9349 -19.9301 -19.9301 -19.8751 -19.8751 -19.8707 -19.8707 1.9586 1.9586 1.9590 1.9590 6.7880 6.7880 6.7887 6.7887 7.9218 7.9218 7.9253 7.9253 10.0108 10.0108 10.0217 10.0217 10.2728 10.2728 10.2823 10.2823 11.5867 11.5867 11.5872 11.5872 13.7442 13.7442 13.7478 13.7478 15.6898 15.6898 15.6937 15.6937 k = 0.5000-0.3677 0.3678 ( 3628 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5560 -20.5560 -20.5556 -20.5556 -19.9344 -19.9344 -19.9307 -19.9307 -19.8745 -19.8745 -19.8712 -19.8712 1.9515 1.9515 1.9518 1.9518 6.8556 6.8556 6.8563 6.8563 7.8644 7.8644 7.8672 7.8672 10.0324 10.0324 10.0433 10.0433 10.2287 10.2287 10.2385 10.2385 11.5966 11.5966 11.5970 11.5970 13.7390 13.7390 13.7417 13.7417 15.6994 15.6994 15.7026 15.7026 k = 0.5000-0.3792 0.3535 ( 3632 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5559 -20.5559 -20.5557 -20.5557 -19.9338 -19.9338 -19.9313 -19.9313 -19.8740 -19.8740 -19.8718 -19.8718 1.9464 1.9464 1.9466 1.9466 6.9096 6.9096 6.9102 6.9102 7.8181 7.8181 7.8201 7.8201 10.0570 10.0570 10.0679 10.0679 10.1877 10.1877 10.1979 10.1979 11.6039 11.6039 11.6041 11.6041 13.7353 13.7353 13.7371 13.7371 15.7066 15.7066 15.7089 15.7089 k = 0.5000-0.3908 0.3392 ( 3632 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5558 -20.5558 -20.5557 -20.5557 -19.9332 -19.9332 -19.9319 -19.9319 -19.8734 -19.8734 -19.8723 -19.8723 1.9433 1.9433 1.9434 1.9434 6.9451 6.9451 6.9455 6.9455 7.7875 7.7875 7.7886 7.7886 10.0847 10.0847 10.0955 10.0955 10.1502 10.1502 10.1607 10.1607 11.6083 11.6083 11.6084 11.6084 13.7331 13.7331 13.7341 13.7341 15.7113 15.7113 15.7125 15.7125 k = 0.5000-0.4023 0.3249 ( 3634 PWs) bands (ev): -43.7895 -43.7895 -43.7895 -43.7895 -20.5558 -20.5558 -20.5558 -20.5558 -19.9325 -19.9325 -19.9325 -19.9325 -19.8729 -19.8729 -19.8729 -19.8729 1.9423 1.9423 1.9423 1.9423 6.9577 6.9577 6.9577 6.9577 7.7771 7.7771 7.7771 7.7771 10.1150 10.1150 10.1150 10.1150 10.1273 10.1273 10.1273 10.1273 11.6098 11.6098 11.6098 11.6098 13.7327 13.7327 13.7327 13.7327 15.7132 15.7132 15.7132 15.7132 k = 1.0000-0.0262 0.0212 ( 3630 PWs) bands (ev): -43.7893 -43.7893 -43.7893 -43.7893 -20.5617 -20.5617 -20.5617 -20.5617 -19.9475 -19.9475 -19.9475 -19.9475 -19.8558 -19.8558 -19.8558 -19.8558 3.5894 3.5894 3.5894 3.5894 3.6860 3.6860 3.6860 3.6860 7.8469 7.8469 7.8469 7.8469 11.2433 11.2433 11.2433 11.2433 11.3154 11.3154 11.3154 11.3154 11.8207 11.8207 11.8207 11.8207 13.3364 13.3364 13.3364 13.3364 14.7288 14.7288 14.7288 14.7288 k = 1.0000-0.0149 0.0351 ( 3626 PWs) bands (ev): -43.7896 -43.7896 -43.7890 -43.7890 -20.5625 -20.5625 -20.5609 -20.5609 -19.9482 -19.9482 -19.9468 -19.9468 -19.8561 -19.8561 -19.8556 -19.8556 3.5458 3.5458 3.6331 3.6331 3.6844 3.6844 3.6894 3.6894 7.7414 7.7414 7.9550 7.9550 11.1747 11.1747 11.1976 11.1976 11.3118 11.3118 11.4324 11.4324 11.7609 11.7609 11.8809 11.8809 13.3329 13.3329 13.3400 13.3400 14.6916 14.6916 14.7653 14.7653 k = 1.0000-0.0037 0.0491 ( 3630 PWs) bands (ev): -43.7899 -43.7899 -43.7887 -43.7887 -20.5633 -20.5633 -20.5601 -20.5601 -19.9489 -19.9489 -19.9462 -19.9462 -19.8564 -19.8564 -19.8554 -19.8554 3.5020 3.5020 3.6768 3.6768 3.6846 3.6846 3.6945 3.6945 7.6391 7.6391 8.0654 8.0654 11.0795 11.0795 11.1063 11.1063 11.3799 11.3799 11.5483 11.5483 11.7020 11.7020 11.9413 11.9413 13.3294 13.3294 13.3439 13.3439 14.6538 14.6538 14.8007 14.8007 k = 1.0000 0.0076 0.0631 ( 3630 PWs) bands (ev): -43.7902 -43.7902 -43.7884 -43.7884 -20.5640 -20.5640 -20.5593 -20.5593 -19.9496 -19.9496 -19.9455 -19.9455 -19.8567 -19.8567 -19.8551 -19.8551 3.4578 3.4578 3.6861 3.6861 3.7009 3.7009 3.7216 3.7216 7.5403 7.5403 8.1774 8.1774 10.9615 10.9615 11.0383 11.0383 11.4463 11.4463 11.6451 11.6451 11.6627 11.6627 12.0018 12.0018 13.3255 13.3255 13.3482 13.3482 14.6158 14.6158 14.8345 14.8345 k = 1.0000 0.0189 0.0770 ( 3626 PWs) bands (ev): -43.7905 -43.7905 -43.7881 -43.7881 -20.5648 -20.5648 -20.5584 -20.5584 -19.9502 -19.9502 -19.9447 -19.9447 -19.8570 -19.8570 -19.8549 -19.8549 3.4131 3.4131 3.6895 3.6895 3.7094 3.7094 3.7664 3.7664 7.4454 7.4454 8.2906 8.2906 10.8442 10.8442 10.9707 10.9707 11.5040 11.5040 11.5972 11.5972 11.7753 11.7753 12.0622 12.0622 13.3211 13.3211 13.3531 13.3531 14.5775 14.5775 14.8661 14.8661 k = 1.0000 0.0302 0.0910 ( 3630 PWs) bands (ev): -43.7909 -43.7909 -43.7878 -43.7878 -20.5656 -20.5656 -20.5576 -20.5576 -19.9509 -19.9509 -19.9440 -19.9440 -19.8573 -19.8573 -19.8547 -19.8547 3.3676 3.3676 3.6946 3.6946 3.7195 3.7195 3.8119 3.8119 7.3548 7.3548 8.4041 8.4041 10.7280 10.7280 10.9037 10.9037 11.5040 11.5040 11.6074 11.6074 11.8856 11.8856 12.1225 12.1225 13.3158 13.3158 13.3587 13.3587 14.5390 14.5390 14.8948 14.8948 k = 1.0000 0.0414 0.1050 ( 3630 PWs) bands (ev): -43.7912 -43.7912 -43.7875 -43.7875 -20.5663 -20.5663 -20.5568 -20.5568 -19.9515 -19.9515 -19.9433 -19.9433 -19.8577 -19.8577 -19.8545 -19.8545 3.3211 3.3211 3.7014 3.7014 3.7313 3.7313 3.8584 3.8584 7.2689 7.2689 8.5172 8.5172 10.6137 10.6137 10.8373 10.8373 11.4550 11.4550 11.6667 11.6667 11.9934 11.9934 12.1824 12.1824 13.3094 13.3094 13.3649 13.3649 14.5000 14.5000 14.9201 14.9201 k = 1.0000 0.0527 0.1189 ( 3618 PWs) bands (ev): -43.7914 -43.7914 -43.7872 -43.7872 -20.5670 -20.5670 -20.5559 -20.5559 -19.9521 -19.9521 -19.9425 -19.9425 -19.8580 -19.8580 -19.8543 -19.8543 3.2735 3.2735 3.7098 3.7098 3.7448 3.7448 3.9058 3.9058 7.1879 7.1879 8.6287 8.6287 10.5022 10.5022 10.7716 10.7716 11.4002 11.4002 11.7320 11.7320 12.0983 12.0983 12.2418 12.2418 13.3015 13.3015 13.3719 13.3719 14.4605 14.4605 14.9412 14.9412 k = 1.0000 0.0640 0.1329 ( 3618 PWs) bands (ev): -43.7917 -43.7917 -43.7869 -43.7869 -20.5678 -20.5678 -20.5551 -20.5551 -19.9527 -19.9527 -19.9418 -19.9418 -19.8583 -19.8583 -19.8542 -19.8542 3.2245 3.2245 3.7200 3.7200 3.7600 3.7600 3.9543 3.9543 7.1122 7.1122 8.7372 8.7372 10.3948 10.3948 10.7068 10.7068 11.3448 11.3448 11.7980 11.7980 12.2001 12.2001 12.3008 12.3008 13.2918 13.2918 13.3795 13.3795 14.4200 14.4200 14.9579 14.9579 k = 1.0000 0.0753 0.1469 ( 3614 PWs) bands (ev): -43.7920 -43.7920 -43.7866 -43.7866 -20.5685 -20.5685 -20.5542 -20.5542 -19.9533 -19.9533 -19.9411 -19.9411 -19.8587 -19.8587 -19.8540 -19.8540 3.1740 3.1740 3.7318 3.7318 3.7768 3.7768 4.0040 4.0040 7.0420 7.0420 8.8407 8.8407 10.2931 10.2931 10.6428 10.6428 11.2897 11.2897 11.8636 11.8636 12.2983 12.2983 12.3592 12.3592 13.2800 13.2800 13.3878 13.3878 14.3781 14.3781 14.9697 14.9697 k = 1.0000 0.0866 0.1608 ( 3606 PWs) bands (ev): -43.7923 -43.7923 -43.7863 -43.7863 -20.5692 -20.5692 -20.5533 -20.5533 -19.9538 -19.9538 -19.9403 -19.9403 -19.8590 -19.8590 -19.8539 -19.8539 3.1218 3.1218 3.7454 3.7454 3.7954 3.7954 4.0549 4.0549 6.9776 6.9776 8.9363 8.9363 10.2000 10.2000 10.5799 10.5799 11.2353 11.2353 11.9284 11.9284 12.3924 12.3924 12.4175 12.4175 13.2660 13.2660 13.3968 13.3968 14.3345 14.3345 14.9765 14.9765 k = 1.0000 0.0978 0.1748 ( 3610 PWs) bands (ev): -43.7926 -43.7926 -43.7860 -43.7860 -20.5700 -20.5700 -20.5525 -20.5525 -19.9544 -19.9544 -19.9396 -19.9396 -19.8594 -19.8594 -19.8538 -19.8538 3.0678 3.0678 3.7606 3.7606 3.8157 3.8157 4.1072 4.1072 6.9191 6.9191 9.0197 9.0197 10.1193 10.1193 10.5179 10.5179 11.1817 11.1817 11.9921 11.9921 12.4700 12.4700 12.4875 12.4875 13.2494 13.2494 13.4062 13.4062 14.2884 14.2884 14.9783 14.9783 k = 1.0000 0.1091 0.1888 ( 3612 PWs) bands (ev): -43.7929 -43.7929 -43.7857 -43.7857 -20.5707 -20.5707 -20.5516 -20.5516 -19.9550 -19.9550 -19.9389 -19.9389 -19.8598 -19.8598 -19.8537 -19.8537 3.0119 3.0119 3.7775 3.7775 3.8377 3.8377 4.1609 4.1609 6.8668 6.8668 9.0848 9.0848 10.0567 10.0567 10.4569 10.4569 11.1290 11.1290 12.0546 12.0546 12.5269 12.5269 12.5733 12.5733 13.2301 13.2301 13.4160 13.4160 14.2395 14.2395 14.9753 14.9753 k = 0.0000 0.6431 0.7962 ( 3612 PWs) bands (ev): -43.7929 -43.7929 -43.7857 -43.7857 -20.5707 -20.5707 -20.5516 -20.5516 -19.9550 -19.9550 -19.9389 -19.9389 -19.8598 -19.8598 -19.8537 -19.8537 3.0119 3.0119 3.7775 3.7775 3.8377 3.8377 4.1609 4.1609 6.8668 6.8668 9.0848 9.0848 10.0567 10.0567 10.4569 10.4569 11.1290 11.1290 12.0546 12.0546 12.5269 12.5269 12.5733 12.5733 13.2301 13.2301 13.4160 13.4160 14.2395 14.2395 14.9753 14.9753 k = 0.0116 0.6461 0.7821 ( 3609 PWs) bands (ev): -43.7931 -43.7931 -43.7856 -43.7856 -20.5710 -20.5710 -20.5512 -20.5512 -19.9553 -19.9553 -19.9385 -19.9385 -19.8602 -19.8602 -19.8536 -19.8536 2.9802 2.9802 3.7894 3.7894 3.8315 3.8315 4.2080 4.2080 6.8454 6.8454 9.1091 9.1091 10.0225 10.0225 10.4355 10.4355 11.1027 11.1027 12.0813 12.0813 12.5527 12.5527 12.6175 12.6175 13.2205 13.2205 13.4201 13.4201 14.2152 14.2152 14.9727 14.9727 k = 0.0233 0.6491 0.7680 ( 3609 PWs) bands (ev): -43.7932 -43.7932 -43.7855 -43.7855 -20.5713 -20.5713 -20.5508 -20.5508 -19.9556 -19.9556 -19.9379 -19.9379 -19.8608 -19.8608 -19.8534 -19.8534 2.9440 2.9440 3.8002 3.8002 3.8060 3.8060 4.2836 4.2836 6.8310 6.8310 9.1260 9.1260 9.9758 9.9758 10.4294 10.4294 11.0766 11.0766 12.1000 12.1000 12.5734 12.5734 12.6630 12.6630 13.2131 13.2131 13.4226 13.4226 14.1938 14.1938 14.9700 14.9700 k = 0.0349 0.6522 0.7539 ( 3614 PWs) bands (ev): -43.7934 -43.7934 -43.7853 -43.7853 -20.5716 -20.5716 -20.5503 -20.5503 -19.9560 -19.9560 -19.9372 -19.9372 -19.8616 -19.8616 -19.8531 -19.8531 2.9048 2.9048 3.7577 3.7577 3.8247 3.8247 4.3746 4.3746 6.8240 6.8240 9.1325 9.1325 9.9249 9.9249 10.4333 10.4333 11.0508 11.0508 12.1123 12.1123 12.5882 12.5882 12.7076 12.7076 13.2086 13.2086 13.4244 13.4244 14.1764 14.1764 14.9671 14.9671 k = 0.0465 0.6552 0.7397 ( 3607 PWs) bands (ev): -43.7935 -43.7935 -43.7852 -43.7852 -20.5718 -20.5718 -20.5499 -20.5499 -19.9563 -19.9563 -19.9363 -19.9363 -19.8624 -19.8624 -19.8527 -19.8527 2.8638 2.8638 3.7101 3.7101 3.8450 3.8450 4.4742 4.4742 6.8244 6.8244 9.1246 9.1246 9.8780 9.8780 10.4426 10.4426 11.0253 11.0253 12.1196 12.1196 12.5967 12.5967 12.7488 12.7488 13.2080 13.2080 13.4264 13.4264 14.1636 14.1636 14.9638 14.9638 k = 0.0581 0.6583 0.7256 ( 3605 PWs) bands (ev): -43.7936 -43.7936 -43.7851 -43.7851 -20.5720 -20.5720 -20.5495 -20.5495 -19.9567 -19.9567 -19.9354 -19.9354 -19.8634 -19.8634 -19.8523 -19.8523 2.8222 2.8222 3.6608 3.6608 3.8654 3.8654 4.5794 4.5794 6.8325 6.8325 9.0987 9.0987 9.8414 9.8414 10.4542 10.4542 11.0003 11.0003 12.1230 12.1230 12.5984 12.5984 12.7839 12.7839 13.2116 13.2116 13.4300 13.4300 14.1561 14.1561 14.9599 14.9599 k = 0.0698 0.6613 0.7115 ( 3606 PWs) bands (ev): -43.7937 -43.7937 -43.7850 -43.7850 -20.5722 -20.5722 -20.5490 -20.5490 -19.9571 -19.9571 -19.9345 -19.9345 -19.8645 -19.8645 -19.8520 -19.8520 2.7804 2.7804 3.6111 3.6111 3.8852 3.8852 4.6887 4.6887 6.8482 6.8482 9.0526 9.0526 9.8189 9.8189 10.4665 10.4665 10.9758 10.9758 12.1237 12.1237 12.5932 12.5932 12.8104 12.8104 13.2198 13.2198 13.4370 13.4370 14.1545 14.1545 14.9550 14.9550 k = 0.0814 0.6644 0.6974 ( 3610 PWs) bands (ev): -43.7938 -43.7938 -43.7849 -43.7849 -20.5724 -20.5724 -20.5486 -20.5486 -19.9574 -19.9574 -19.9334 -19.9334 -19.8657 -19.8657 -19.8517 -19.8517 2.7392 2.7392 3.5619 3.5619 3.9038 3.9038 4.8014 4.8014 6.8715 6.8715 8.9868 8.9868 9.8110 9.8110 10.4785 10.4785 10.9520 10.9520 12.1221 12.1221 12.5813 12.5813 12.8260 12.8260 13.2325 13.2325 13.4488 13.4488 14.1590 14.1590 14.9488 14.9488 k = 0.0930 0.6674 0.6832 ( 3614 PWs) bands (ev): -43.7939 -43.7939 -43.7848 -43.7848 -20.5726 -20.5726 -20.5482 -20.5482 -19.9577 -19.9577 -19.9323 -19.9323 -19.8669 -19.8669 -19.8515 -19.8515 2.6989 2.6989 3.5136 3.5136 3.9209 3.9209 4.9172 4.9172 6.9024 6.9024 8.9040 8.9040 9.8155 9.8155 10.4896 10.4896 10.9288 10.9288 12.1188 12.1188 12.5633 12.5633 12.8294 12.8294 13.2494 13.2494 13.4664 13.4664 14.1696 14.1696 14.9409 14.9409 k = 0.1047 0.6704 0.6691 ( 3618 PWs) bands (ev): -43.7940 -43.7940 -43.7847 -43.7847 -20.5727 -20.5727 -20.5479 -20.5479 -19.9580 -19.9580 -19.9312 -19.9312 -19.8681 -19.8681 -19.8513 -19.8513 2.6598 2.6598 3.4665 3.4665 3.9364 3.9364 5.0356 5.0356 6.9408 6.9408 8.8074 8.8074 9.8294 9.8294 10.5000 10.5000 10.9064 10.9064 12.1143 12.1143 12.5397 12.5397 12.8199 12.8199 13.2701 13.2701 13.4899 13.4899 14.1861 14.1861 14.9312 14.9312 k = 0.1163 0.6735 0.6550 ( 3616 PWs) bands (ev): -43.7941 -43.7941 -43.7846 -43.7846 -20.5728 -20.5728 -20.5475 -20.5475 -19.9582 -19.9582 -19.9301 -19.9301 -19.8694 -19.8694 -19.8511 -19.8511 2.6221 2.6221 3.4208 3.4208 3.9502 3.9502 5.1565 5.1565 6.9863 6.9863 8.7003 8.7003 9.8495 9.8495 10.5095 10.5095 10.8848 10.8848 12.1087 12.1087 12.5110 12.5110 12.7982 12.7982 13.2941 13.2941 13.5184 13.5184 14.2082 14.2082 14.9196 14.9196 k = 0.1279 0.6765 0.6408 ( 3616 PWs) bands (ev): -43.7941 -43.7941 -43.7846 -43.7846 -20.5728 -20.5728 -20.5471 -20.5471 -19.9584 -19.9584 -19.9289 -19.9289 -19.8707 -19.8707 -19.8510 -19.8510 2.5861 2.5861 3.3766 3.3766 3.9623 3.9623 5.2798 5.2798 7.0388 7.0388 8.5850 8.5850 9.8735 9.8735 10.5188 10.5188 10.8640 10.8640 12.1022 12.1022 12.4780 12.4780 12.7652 12.7652 13.3210 13.3210 13.5507 13.5507 14.2352 14.2352 14.9061 14.9061 k = 0.1395 0.6796 0.6267 ( 3608 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5728 -20.5728 -20.5468 -20.5468 -19.9584 -19.9584 -19.9277 -19.9277 -19.8720 -19.8720 -19.8510 -19.8510 2.5519 2.5519 3.3340 3.3340 3.9729 3.9729 5.4054 5.4054 7.0979 7.0979 8.4634 8.4634 9.8994 9.8994 10.5280 10.5280 10.8442 10.8442 12.0950 12.0950 12.4411 12.4411 12.7225 12.7225 13.3501 13.3501 13.5851 13.5851 14.2667 14.2667 14.8911 14.8911 k = 0.1512 0.6826 0.6126 ( 3602 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5727 -20.5727 -20.5464 -20.5464 -19.9585 -19.9585 -19.9264 -19.9264 -19.8733 -19.8733 -19.8510 -19.8510 2.5195 2.5195 3.2931 3.2931 3.9822 3.9822 5.5331 5.5331 7.1632 7.1632 8.3369 8.3369 9.9258 9.9258 10.5379 10.5379 10.8254 10.8254 12.0871 12.0871 12.4009 12.4009 12.6713 12.6713 13.3810 13.3810 13.6199 13.6199 14.3020 14.3020 14.8751 14.8751 k = 0.1628 0.6856 0.5985 ( 3600 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5726 -20.5726 -20.5462 -20.5462 -19.9584 -19.9584 -19.9252 -19.9252 -19.8747 -19.8747 -19.8510 -19.8510 2.4891 2.4891 3.2538 3.2538 3.9904 3.9904 5.6630 5.6630 7.2344 7.2344 8.2065 8.2065 9.9515 9.9515 10.5490 10.5490 10.8075 10.8075 12.0784 12.0784 12.3576 12.3576 12.6128 12.6128 13.4131 13.4131 13.6539 13.6539 14.3403 14.3403 14.8588 14.8588 k = 0.1744 0.6887 0.5843 ( 3596 PWs) bands (ev): -43.7943 -43.7943 -43.7844 -43.7844 -20.5725 -20.5725 -20.5459 -20.5459 -19.9583 -19.9583 -19.9240 -19.9240 -19.8760 -19.8760 -19.8511 -19.8511 2.4607 2.4607 3.2164 3.2164 3.9979 3.9979 5.7949 5.7949 7.3111 7.3111 8.0730 8.0730 9.9756 9.9756 10.5617 10.5617 10.7908 10.7908 12.0691 12.0691 12.3118 12.3118 12.5481 12.5481 13.4460 13.4460 13.6857 13.6857 14.3809 14.3809 14.8431 14.8431 k = 0.1860 0.6917 0.5702 ( 3595 PWs) bands (ev): -43.7943 -43.7943 -43.7844 -43.7844 -20.5723 -20.5723 -20.5457 -20.5457 -19.9582 -19.9582 -19.9228 -19.9228 -19.8773 -19.8773 -19.8513 -19.8513 2.4344 2.4344 3.1806 3.1806 4.0048 4.0048 5.9289 5.9289 7.3928 7.3928 7.9370 7.9370 9.9976 9.9976 10.5766 10.5766 10.7751 10.7751 12.0588 12.0588 12.2637 12.2637 12.4779 12.4779 13.4790 13.4790 13.7145 13.7145 14.4233 14.4233 14.8289 14.8289 k = 0.1977 0.6948 0.5561 ( 3599 PWs) bands (ev): -43.7943 -43.7943 -43.7845 -43.7845 -20.5722 -20.5722 -20.5456 -20.5456 -19.9580 -19.9580 -19.9216 -19.9216 -19.8787 -19.8787 -19.8516 -19.8516 2.4102 2.4102 3.1467 3.1467 4.0114 4.0114 6.0647 6.0647 7.4792 7.4792 7.7992 7.7992 10.0171 10.0171 10.5938 10.5938 10.7605 10.7605 12.0477 12.0477 12.2135 12.2135 12.4031 12.4031 13.5119 13.5119 13.7392 13.7392 14.4667 14.4667 14.8170 14.8170 k = 0.2093 0.6978 0.5420 ( 3601 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5720 -20.5720 -20.5455 -20.5455 -19.9578 -19.9578 -19.9205 -19.9205 -19.8800 -19.8800 -19.8519 -19.8519 2.3883 2.3883 3.1146 3.1146 4.0181 4.0181 6.2024 6.2024 7.5699 7.5699 7.6599 7.6599 10.0339 10.0339 10.6135 10.6135 10.7471 10.7471 12.0355 12.0355 12.1616 12.1616 12.3242 12.3242 13.5440 13.5440 13.7593 13.7593 14.5104 14.5104 14.8083 14.8083 k = 0.2209 0.7009 0.5278 ( 3605 PWs) bands (ev): -43.7942 -43.7942 -43.7845 -43.7845 -20.5717 -20.5717 -20.5454 -20.5454 -19.9575 -19.9575 -19.9194 -19.9194 -19.8813 -19.8813 -19.8522 -19.8522 2.3685 2.3685 3.0842 3.0842 4.0250 4.0250 6.3419 6.3419 7.5195 7.5195 7.6644 7.6644 10.0480 10.0480 10.6356 10.6356 10.7349 10.7349 12.0219 12.0219 12.1081 12.1081 12.2419 12.2419 13.5751 13.5751 13.7745 13.7745 14.5541 14.5541 14.8033 14.8033 k = 0.2326 0.7039 0.5137 ( 3601 PWs) bands (ev): -43.7942 -43.7942 -43.7846 -43.7846 -20.5714 -20.5714 -20.5453 -20.5453 -19.9571 -19.9571 -19.9183 -19.9183 -19.8825 -19.8825 -19.8526 -19.8526 2.3510 2.3510 3.0556 3.0556 4.0325 4.0325 6.4831 6.4831 7.3785 7.3785 7.7624 7.7624 10.0597 10.0597 10.6596 10.6596 10.7240 10.7240 12.0065 12.0065 12.0532 12.0532 12.1569 12.1569 13.6049 13.6049 13.7846 13.7846 14.5971 14.5971 14.8023 14.8023 k = 0.2442 0.7069 0.4996 ( 3603 PWs) bands (ev): -43.7941 -43.7941 -43.7846 -43.7846 -20.5711 -20.5711 -20.5453 -20.5453 -19.9567 -19.9567 -19.9173 -19.9173 -19.8837 -19.8837 -19.8530 -19.8530 2.3357 2.3357 3.0286 3.0286 4.0408 4.0408 6.6259 6.6259 7.2371 7.2371 7.8635 7.8635 10.0694 10.0694 10.6853 10.6853 10.7143 10.7143 11.9876 11.9876 11.9973 11.9973 12.0708 12.0708 13.6331 13.6331 13.7898 13.7898 14.6391 14.6391 14.8054 14.8054 k = 0.2558 0.7100 0.4854 ( 3606 PWs) bands (ev): -43.7940 -43.7940 -43.7847 -43.7847 -20.5708 -20.5708 -20.5454 -20.5454 -19.9563 -19.9563 -19.9163 -19.9163 -19.8849 -19.8849 -19.8535 -19.8535 2.3227 2.3227 3.0034 3.0034 4.0500 4.0500 6.7702 6.7702 7.0958 7.0958 7.9673 7.9673 10.0775 10.0775 10.7048 10.7048 10.7132 10.7132 11.9390 11.9390 11.9552 11.9552 11.9957 11.9957 13.6596 13.6596 13.7906 13.7906 14.6799 14.6799 14.8123 14.8123 k = 0.2674 0.7130 0.4713 ( 3606 PWs) bands (ev): -43.7940 -43.7940 -43.7848 -43.7848 -20.5704 -20.5704 -20.5455 -20.5455 -19.9558 -19.9558 -19.9155 -19.9155 -19.8860 -19.8860 -19.8540 -19.8540 2.3120 2.3120 2.9798 2.9798 4.0604 4.0604 6.9152 6.9152 6.9556 6.9556 8.0734 8.0734 10.0843 10.0843 10.6982 10.6982 10.7399 10.7399 11.8731 11.8731 11.8845 11.8845 11.9617 11.9617 13.6842 13.6842 13.7878 13.7878 14.7191 14.7191 14.8224 14.8224 k = 0.2791 0.7161 0.4572 ( 3610 PWs) bands (ev): -43.7939 -43.7939 -43.7849 -43.7849 -20.5700 -20.5700 -20.5456 -20.5456 -19.9552 -19.9552 -19.9147 -19.9147 -19.8869 -19.8869 -19.8545 -19.8545 2.3036 2.3036 2.9577 2.9577 4.0722 4.0722 6.8139 6.8139 7.0637 7.0637 8.1814 8.1814 10.0903 10.0903 10.6923 10.6923 10.7673 10.7673 11.7825 11.7825 11.8239 11.8239 11.9376 11.9376 13.7069 13.7069 13.7822 13.7822 14.7568 14.7568 14.8350 14.8350 k = 0.2907 0.7191 0.4431 ( 3610 PWs) bands (ev): -43.7937 -43.7937 -43.7850 -43.7850 -20.5695 -20.5695 -20.5458 -20.5458 -19.9546 -19.9546 -19.9141 -19.9141 -19.8878 -19.8878 -19.8551 -19.8551 2.2976 2.2976 2.9372 2.9372 4.0855 4.0855 6.6744 6.6744 7.2121 7.2121 8.2910 8.2910 10.0959 10.0959 10.6876 10.6876 10.7942 10.7942 11.6874 11.6874 11.7643 11.7643 11.9129 11.9129 13.7277 13.7277 13.7746 13.7746 14.7928 14.7928 14.8492 14.8492 k = 0.3023 0.7221 0.4289 ( 3611 PWs) bands (ev): -43.7936 -43.7936 -43.7852 -43.7852 -20.5690 -20.5690 -20.5460 -20.5460 -19.9540 -19.9540 -19.9135 -19.9135 -19.8886 -19.8886 -19.8557 -19.8557 2.2938 2.2938 2.9180 2.9180 4.1005 4.1005 6.5359 6.5359 7.3618 7.3618 8.4018 8.4018 10.1014 10.1014 10.6841 10.6841 10.8201 10.8201 11.5905 11.5905 11.7044 11.7044 11.8861 11.8861 13.7467 13.7467 13.7662 13.7662 14.8273 14.8273 14.8643 14.8643 k = 0.3140 0.7252 0.4148 ( 3615 PWs) bands (ev): -43.7935 -43.7935 -43.7853 -43.7853 -20.5686 -20.5686 -20.5463 -20.5463 -19.9534 -19.9534 -19.9132 -19.9132 -19.8892 -19.8892 -19.8563 -19.8563 2.2924 2.2924 2.9000 2.9000 4.1173 4.1173 6.3989 6.3989 7.5126 7.5126 8.5134 8.5134 10.1070 10.1070 10.6819 10.6819 10.8446 10.8446 11.4924 11.4924 11.6443 11.6443 11.8568 11.8568 13.7562 13.7562 13.7656 13.7656 14.8602 14.8602 14.8792 14.8792 k = 0.3256 0.7282 0.4007 ( 3623 PWs) bands (ev): -43.7933 -43.7933 -43.7855 -43.7855 -20.5681 -20.5681 -20.5466 -20.5466 -19.9527 -19.9527 -19.9129 -19.9129 -19.8897 -19.8897 -19.8569 -19.8569 2.2934 2.2934 2.8833 2.8833 4.1360 4.1360 6.2636 6.2636 7.6642 7.6642 8.6253 8.6253 10.1128 10.1128 10.6809 10.6809 10.8673 10.8673 11.3937 11.3937 11.5841 11.5841 11.8249 11.8249 13.7486 13.7486 13.7812 13.7812 14.8898 14.8898 14.8950 14.8950 k = 0.3372 0.7313 0.3866 ( 3621 PWs) bands (ev): -43.7931 -43.7931 -43.7857 -43.7857 -20.5675 -20.5675 -20.5469 -20.5469 -19.9520 -19.9520 -19.9128 -19.9128 -19.8901 -19.8901 -19.8576 -19.8576 2.2967 2.2967 2.8675 2.8675 4.1567 4.1567 6.1303 6.1303 7.8166 7.8166 8.7373 8.7373 10.1190 10.1190 10.6811 10.6811 10.8879 10.8879 11.2945 11.2945 11.5239 11.5239 11.7902 11.7902 13.7417 13.7417 13.7962 13.7962 14.9039 14.9039 14.9232 14.9232 k = 0.3488 0.7343 0.3724 ( 3621 PWs) bands (ev): -43.7930 -43.7930 -43.7858 -43.7858 -20.5669 -20.5669 -20.5474 -20.5474 -19.9513 -19.9513 -19.9128 -19.9128 -19.8903 -19.8903 -19.8582 -19.8582 2.3024 2.3024 2.8525 2.8525 4.1795 4.1795 5.9993 5.9993 7.9695 7.9695 8.8488 8.8488 10.1256 10.1256 10.6825 10.6825 10.9061 10.9061 11.1951 11.1951 11.4639 11.4639 11.7526 11.7526 13.7364 13.7364 13.8103 13.8103 14.9129 14.9129 14.9525 14.9525 k = 0.3605 0.7374 0.3583 ( 3629 PWs) bands (ev): -43.7928 -43.7928 -43.7860 -43.7860 -20.5663 -20.5663 -20.5478 -20.5478 -19.9506 -19.9506 -19.9129 -19.9129 -19.8905 -19.8905 -19.8588 -19.8588 2.3104 2.3104 2.8381 2.8381 4.2046 4.2046 5.8710 5.8710 8.1227 8.1227 8.9594 8.9594 10.1326 10.1326 10.6849 10.6849 10.9219 10.9219 11.0959 11.0959 11.4044 11.4044 11.7120 11.7120 13.7332 13.7332 13.8237 13.8237 14.9181 14.9181 14.9809 14.9809 k = 0.3721 0.7404 0.3442 ( 3627 PWs) bands (ev): -43.7925 -43.7925 -43.7863 -43.7863 -20.5656 -20.5656 -20.5483 -20.5483 -19.9499 -19.9499 -19.9131 -19.9131 -19.8905 -19.8905 -19.8594 -19.8594 2.3208 2.3208 2.8241 2.8241 4.2318 4.2318 5.7457 5.7457 8.2761 8.2761 9.0686 9.0686 10.1398 10.1398 10.6882 10.6882 10.9350 10.9350 10.9974 10.9974 11.3456 11.3456 11.6686 11.6686 13.7324 13.7324 13.8364 13.8364 14.9188 14.9188 14.9934 14.9934 k = 0.3837 0.7434 0.3300 ( 3623 PWs) bands (ev): -43.7923 -43.7923 -43.7865 -43.7865 -20.5650 -20.5650 -20.5488 -20.5488 -19.9491 -19.9491 -19.9134 -19.9134 -19.8904 -19.8904 -19.8600 -19.8600 2.3335 2.3335 2.8101 2.8101 4.2614 4.2614 5.6238 5.6238 8.4292 8.4292 9.1757 9.1757 10.1471 10.1471 10.6920 10.6920 10.8995 10.8995 10.9462 10.9462 11.2877 11.2877 11.6224 11.6224 13.7341 13.7341 13.8486 13.8486 14.9140 14.9140 14.9526 14.9526 k = 0.3953 0.7465 0.3159 ( 3625 PWs) bands (ev): -43.7921 -43.7921 -43.7867 -43.7867 -20.5643 -20.5643 -20.5494 -20.5494 -19.9485 -19.9485 -19.9138 -19.9138 -19.8904 -19.8904 -19.8606 -19.8606 2.3486 2.3486 2.7960 2.7960 4.2933 4.2933 5.5056 5.5056 8.5817 8.5817 9.2802 9.2802 10.1542 10.1542 10.6941 10.6941 10.8056 10.8056 10.9545 10.9545 11.2312 11.2312 11.5735 11.5735 13.7385 13.7385 13.8601 13.8601 14.8991 14.8991 14.9105 14.9105 k = 0.4070 0.7495 0.3018 ( 3621 PWs) bands (ev): -43.7918 -43.7918 -43.7870 -43.7870 -20.5635 -20.5635 -20.5500 -20.5500 -19.9478 -19.9478 -19.9141 -19.9141 -19.8902 -19.8902 -19.8611 -19.8611 2.3661 2.3661 2.7813 2.7813 4.3277 4.3277 5.3916 5.3916 8.7333 8.7333 9.3813 9.3813 10.1606 10.1606 10.6756 10.6756 10.7344 10.7344 10.9607 10.9607 11.1766 11.1766 11.5221 11.5221 13.7454 13.7454 13.8709 13.8709 14.8541 14.8541 14.8891 14.8891 k = 0.4186 0.7526 0.2877 ( 3621 PWs) bands (ev): -43.7916 -43.7916 -43.7872 -43.7872 -20.5628 -20.5628 -20.5507 -20.5507 -19.9472 -19.9472 -19.9145 -19.9145 -19.8901 -19.8901 -19.8616 -19.8616 2.3860 2.3860 2.7656 2.7656 4.3644 4.3644 5.2822 5.2822 8.8834 8.8834 9.4780 9.4780 10.1660 10.1660 10.5984 10.5984 10.7245 10.7245 10.9648 10.9648 11.1247 11.1247 11.4687 11.4687 13.7547 13.7547 13.8806 13.8806 14.8040 14.8040 14.8657 14.8657 k = 0.4302 0.7556 0.2735 ( 3617 PWs) bands (ev): -43.7913 -43.7913 -43.7875 -43.7875 -20.5620 -20.5620 -20.5514 -20.5514 -19.9466 -19.9466 -19.9148 -19.9148 -19.8899 -19.8899 -19.8620 -19.8620 2.4082 2.4082 2.7486 2.7486 4.4035 4.4035 5.1780 5.1780 9.0314 9.0314 9.5690 9.5690 10.1697 10.1697 10.5089 10.5089 10.7301 10.7301 10.9659 10.9659 11.0775 11.0775 11.4135 11.4135 13.7663 13.7663 13.8886 13.8886 14.7550 14.7550 14.8364 14.8364 k = 0.4419 0.7586 0.2594 ( 3619 PWs) bands (ev): -43.7910 -43.7910 -43.7878 -43.7878 -20.5612 -20.5612 -20.5521 -20.5521 -19.9461 -19.9461 -19.9151 -19.9151 -19.8898 -19.8898 -19.8624 -19.8624 2.4328 2.4328 2.7298 2.7298 4.4451 4.4451 5.0795 5.0795 9.1763 9.1763 9.6526 9.6526 10.1714 10.1714 10.4210 10.4210 10.7383 10.7383 10.9598 10.9598 11.0405 11.0405 11.3572 11.3572 13.7798 13.7798 13.8943 13.8943 14.7095 14.7095 14.8017 14.8017 k = 0.4535 0.7617 0.2453 ( 3623 PWs) bands (ev): -43.7907 -43.7907 -43.7881 -43.7881 -20.5604 -20.5604 -20.5529 -20.5529 -19.9457 -19.9457 -19.9154 -19.9154 -19.8897 -19.8897 -19.8628 -19.8628 2.4598 2.4598 2.7086 2.7086 4.4891 4.4891 4.9871 4.9871 9.3170 9.3170 9.7257 9.7257 10.1709 10.1709 10.3385 10.3385 10.7475 10.7475 10.9379 10.9379 11.0238 11.0238 11.3004 11.3004 13.7949 13.7949 13.8967 13.8967 14.6692 14.6692 14.7626 14.7626 k = 0.4651 0.7647 0.2311 ( 3620 PWs) bands (ev): -43.7904 -43.7904 -43.7884 -43.7884 -20.5596 -20.5596 -20.5536 -20.5536 -19.9453 -19.9453 -19.9156 -19.9156 -19.8897 -19.8897 -19.8630 -19.8630 2.4892 2.4892 2.6847 2.6847 4.5356 4.5356 4.9014 4.9014 9.4517 9.4517 9.7831 9.7831 10.1682 10.1682 10.2659 10.2659 10.7572 10.7572 10.9027 10.9027 11.0262 11.0262 11.2440 11.2440 13.8110 13.8110 13.8950 13.8950 14.6357 14.6357 14.7203 14.7203 k = 0.4767 0.7678 0.2170 ( 3620 PWs) bands (ev): -43.7901 -43.7901 -43.7887 -43.7887 -20.5589 -20.5589 -20.5544 -20.5544 -19.9451 -19.9451 -19.9157 -19.9157 -19.8897 -19.8897 -19.8632 -19.8632 2.5209 2.5209 2.6575 2.6575 4.5844 4.5844 4.8229 4.8229 9.5776 9.5776 9.8162 9.8162 10.1650 10.1650 10.2109 10.2109 10.7671 10.7671 10.8636 10.8636 11.0396 11.0396 11.1893 11.1893 13.8275 13.8275 13.8885 13.8885 14.6103 14.6103 14.6764 14.6764 k = 0.4884 0.7708 0.2029 ( 3618 PWs) bands (ev): -43.7897 -43.7897 -43.7891 -43.7891 -20.5582 -20.5582 -20.5550 -20.5550 -19.9449 -19.9449 -19.9158 -19.9158 -19.8897 -19.8897 -19.8632 -19.8632 2.5550 2.5550 2.6266 2.6266 4.6357 4.6357 4.7521 4.7521 9.6895 9.6895 9.8149 9.8149 10.1646 10.1646 10.1827 10.1827 10.7767 10.7767 10.8244 10.8244 11.0615 11.0615 11.1378 11.1378 13.8438 13.8438 13.8767 13.8767 14.5935 14.5935 14.6324 14.6324 k = 0.5000 0.7739 0.1888 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9449 -19.9449 -19.9157 -19.9157 -19.8898 -19.8898 -19.8633 -19.8633 2.5896 2.5896 2.5934 2.5934 4.6872 4.6872 4.6914 4.6914 9.7778 9.7778 9.7793 9.7793 10.1729 10.1729 10.1821 10.1821 10.7853 10.7853 10.7867 10.7867 11.0913 11.0913 11.0919 11.0919 13.8565 13.8565 13.8624 13.8624 14.5809 14.5809 14.5942 14.5942 k = 0.5000 0.7739 0.1888 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9449 -19.9449 -19.9157 -19.9157 -19.8898 -19.8898 -19.8633 -19.8633 2.5896 2.5896 2.5934 2.5934 4.6872 4.6872 4.6914 4.6914 9.7778 9.7778 9.7793 9.7793 10.1729 10.1729 10.1821 10.1821 10.7853 10.7853 10.7867 10.7867 11.0913 11.0913 11.0919 11.0919 13.8565 13.8565 13.8624 13.8624 14.5809 14.5809 14.5942 14.5942 k = 0.5000 0.7622 0.1743 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9448 -19.9448 -19.9156 -19.9156 -19.8899 -19.8899 -19.8633 -19.8633 2.5877 2.5877 2.5915 2.5915 4.6878 4.6878 4.6920 4.6920 9.7965 9.7965 9.7990 9.7990 10.1990 10.1990 10.2098 10.2098 10.7555 10.7555 10.7574 10.7574 11.0845 11.0845 11.0854 11.0854 13.8492 13.8492 13.8560 13.8560 14.5346 14.5346 14.5482 14.5482 k = 0.5000 0.7505 0.1598 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9448 -19.9448 -19.9156 -19.9156 -19.8900 -19.8900 -19.8634 -19.8634 2.5809 2.5809 2.5847 2.5847 4.6973 4.6973 4.7015 4.7015 9.8060 9.8060 9.8093 9.8093 10.2261 10.2261 10.2383 10.2383 10.7259 10.7259 10.7283 10.7283 11.0825 11.0825 11.0838 11.0838 13.8388 13.8388 13.8464 13.8464 14.4896 14.4896 14.5033 14.5033 k = 0.5000 0.7388 0.1453 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9448 -19.9448 -19.9156 -19.9156 -19.8900 -19.8900 -19.8635 -19.8635 2.5696 2.5696 2.5733 2.5733 4.7154 4.7154 4.7197 4.7197 9.8063 9.8063 9.8101 9.8101 10.2534 10.2534 10.2669 10.2669 10.6967 10.6967 10.6996 10.6996 11.0858 11.0858 11.0875 11.0875 13.8259 13.8259 13.8341 13.8341 14.4459 14.4459 14.4596 14.4596 k = 0.5000 0.7271 0.1308 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9446 -19.9446 -19.9156 -19.9156 -19.8900 -19.8900 -19.8636 -19.8636 2.5539 2.5539 2.5575 2.5575 4.7421 4.7421 4.7463 4.7463 9.7978 9.7978 9.8020 9.8020 10.2797 10.2797 10.2944 10.2944 10.6682 10.6682 10.6718 10.6718 11.0942 11.0942 11.0964 11.0964 13.8113 13.8113 13.8199 13.8199 14.4035 14.4035 14.4170 14.4170 k = 0.5000 0.7154 0.1163 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5579 -20.5579 -20.5553 -20.5553 -19.9445 -19.9445 -19.9157 -19.9157 -19.8899 -19.8899 -19.8637 -19.8637 2.5342 2.5342 2.5378 2.5378 4.7768 4.7768 4.7809 4.7809 9.7812 9.7812 9.7856 9.7856 10.3038 10.3038 10.3196 10.3196 10.6413 10.6413 10.6455 10.6455 11.1075 11.1075 11.1101 11.1101 13.7961 13.7961 13.8049 13.8049 14.3623 14.3623 14.3755 14.3755 k = 0.5000 0.7037 0.1019 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5578 -20.5578 -20.5553 -20.5553 -19.9443 -19.9443 -19.9158 -19.9158 -19.8897 -19.8897 -19.8638 -19.8638 2.5111 2.5111 2.5145 2.5145 4.8192 4.8192 4.8232 4.8232 9.7572 9.7572 9.7618 9.7618 10.3239 10.3239 10.3408 10.3408 10.6172 10.6172 10.6220 10.6220 11.1247 11.1247 11.1278 11.1278 13.7815 13.7815 13.7902 13.7902 14.3224 14.3224 14.3349 14.3349 k = 0.5000 0.6920 0.0874 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5578 -20.5578 -20.5553 -20.5553 -19.9441 -19.9441 -19.9160 -19.9160 -19.8896 -19.8896 -19.8640 -19.8640 2.4849 2.4849 2.4882 2.4882 4.8686 4.8686 4.8726 4.8726 9.7267 9.7267 9.7313 9.7313 10.3379 10.3379 10.3553 10.3553 10.5981 10.5981 10.6032 10.6032 11.1448 11.1448 11.1484 11.1484 13.7686 13.7686 13.7771 13.7771 14.2837 14.2837 14.2953 14.2953 k = 0.5000 0.6803 0.0729 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5577 -20.5577 -20.5552 -20.5552 -19.9438 -19.9438 -19.9162 -19.9162 -19.8893 -19.8893 -19.8641 -19.8641 2.4562 2.4562 2.4594 2.4594 4.9247 4.9247 4.9286 4.9286 9.6904 9.6904 9.6950 9.6950 10.3430 10.3430 10.3601 10.3601 10.5869 10.5869 10.5916 10.5916 11.1667 11.1667 11.1707 11.1707 13.7585 13.7585 13.7664 13.7664 14.2467 14.2467 14.2572 14.2572 k = 0.5000 0.6686 0.0584 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5577 -20.5577 -20.5552 -20.5552 -19.9436 -19.9436 -19.9165 -19.9165 -19.8890 -19.8890 -19.8644 -19.8644 2.4256 2.4256 2.4286 2.4286 4.9869 4.9869 4.9906 4.9906 9.6492 9.6492 9.6537 9.6537 10.3371 10.3371 10.3528 10.3528 10.5859 10.5859 10.5890 10.5890 11.1893 11.1893 11.1937 11.1937 13.7519 13.7519 13.7588 13.7588 14.2120 14.2120 14.2209 14.2209 k = 0.5000 0.6569 0.0439 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5576 -20.5576 -20.5552 -20.5552 -19.9433 -19.9433 -19.9168 -19.9168 -19.8887 -19.8887 -19.8646 -19.8646 2.3934 2.3934 2.3962 2.3962 5.0546 5.0546 5.0583 5.0583 9.6036 9.6036 9.6081 9.6081 10.3201 10.3201 10.3337 10.3337 10.5945 10.5945 10.5956 10.5956 11.2115 11.2115 11.2164 11.2164 13.7488 13.7488 13.7543 13.7543 14.1808 14.1808 14.1877 14.1877 k = 0.5000 0.6452 0.0294 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5575 -20.5575 -20.5552 -20.5552 -19.9430 -19.9430 -19.9171 -19.9171 -19.8883 -19.8883 -19.8648 -19.8648 2.3601 2.3601 2.3628 2.3628 5.1275 5.1275 5.1310 5.1310 9.5541 9.5541 9.5586 9.5586 10.2937 10.2937 10.3053 10.3053 10.6094 10.6094 10.6104 10.6104 11.2326 11.2326 11.2379 11.2379 13.7485 13.7485 13.7521 13.7521 14.1548 14.1548 14.1592 14.1592 k = 0.5000 0.6335 0.0149 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5574 -20.5574 -20.5552 -20.5552 -19.9427 -19.9427 -19.9175 -19.9175 -19.8879 -19.8879 -19.8650 -19.8650 2.3262 2.3262 2.3288 2.3288 5.2050 5.2050 5.2085 5.2085 9.5013 9.5013 9.5057 9.5057 10.2603 10.2603 10.2702 10.2702 10.6280 10.6280 10.6307 10.6307 11.2521 11.2521 11.2577 11.2577 13.7495 13.7495 13.7505 13.7505 14.1366 14.1366 14.1378 14.1378 k = 0.5000 0.6218 0.0005 ( 3636 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5574 -20.5574 -20.5552 -20.5552 -19.9423 -19.9423 -19.9179 -19.9179 -19.8875 -19.8875 -19.8653 -19.8653 2.2921 2.2921 2.2945 2.2945 5.2869 5.2869 5.2903 5.2903 9.4454 9.4454 9.4498 9.4498 10.2218 10.2218 10.2303 10.2303 10.6494 10.6494 10.6535 10.6535 11.2697 11.2697 11.2755 11.2755 13.7467 13.7467 13.7488 13.7488 14.1270 14.1270 14.1294 14.1294 k = 0.5000 0.6101-0.0140 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5573 -20.5573 -20.5552 -20.5552 -19.9419 -19.9419 -19.9184 -19.9184 -19.8870 -19.8870 -19.8656 -19.8656 2.2579 2.2579 2.2602 2.2602 5.3727 5.3727 5.3760 5.3760 9.3865 9.3865 9.3909 9.3909 10.1796 10.1796 10.1870 10.1870 10.6723 10.6723 10.6774 10.6774 11.2854 11.2854 11.2914 11.2914 13.7378 13.7378 13.7431 13.7431 14.1304 14.1304 14.1365 14.1365 k = 0.5000 0.5984-0.0285 ( 3634 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5572 -20.5572 -20.5552 -20.5552 -19.9416 -19.9416 -19.9188 -19.9188 -19.8865 -19.8865 -19.8659 -19.8659 2.2241 2.2241 2.2262 2.2262 5.4621 5.4621 5.4653 5.4653 9.3248 9.3248 9.3291 9.3291 10.1346 10.1346 10.1412 10.1412 10.6958 10.6958 10.7017 10.7017 11.2993 11.2993 11.3054 11.3054 13.7221 13.7221 13.7300 13.7300 14.1505 14.1505 14.1598 14.1598 k = 0.5000 0.5867-0.0430 ( 3636 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5571 -20.5571 -20.5552 -20.5552 -19.9411 -19.9411 -19.9193 -19.9193 -19.8860 -19.8860 -19.8662 -19.8662 2.1909 2.1909 2.1929 2.1929 5.5549 5.5549 5.5580 5.5580 9.2602 9.2602 9.2644 9.2644 10.0876 10.0876 10.0935 10.0935 10.7192 10.7192 10.7257 10.7257 11.3117 11.3117 11.3180 11.3180 13.6995 13.6995 13.7092 13.7092 14.1875 14.1875 14.1991 14.1991 k = 0.5000 0.5750-0.0575 ( 3636 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5570 -20.5570 -20.5551 -20.5551 -19.9407 -19.9407 -19.9198 -19.9198 -19.8854 -19.8854 -19.8665 -19.8665 2.1586 2.1586 2.1604 2.1604 5.6507 5.6507 5.6537 5.6537 9.1925 9.1925 9.1967 9.1967 10.0395 10.0395 10.0448 10.0448 10.7421 10.7421 10.7489 10.7489 11.3232 11.3232 11.3294 11.3294 13.6714 13.6714 13.6820 13.6820 14.2398 14.2398 14.2529 14.2529 k = 0.5000 0.5633-0.0720 ( 3632 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5569 -20.5569 -20.5551 -20.5551 -19.9402 -19.9402 -19.9204 -19.9204 -19.8849 -19.8849 -19.8669 -19.8669 2.1272 2.1272 2.1289 2.1289 5.7492 5.7492 5.7522 5.7522 9.1218 9.1218 9.1259 9.1259 9.9908 9.9908 9.9956 9.9956 10.7639 10.7639 10.7709 10.7709 11.3342 11.3342 11.3403 11.3403 13.6393 13.6393 13.6502 13.6502 14.3053 14.3053 14.3192 14.3192 k = 0.5000 0.5516-0.0865 ( 3636 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5568 -20.5568 -20.5551 -20.5551 -19.9397 -19.9397 -19.9210 -19.9210 -19.8843 -19.8843 -19.8673 -19.8673 2.0971 2.0971 2.0987 2.0987 5.8504 5.8504 5.8533 5.8533 9.0477 9.0477 9.0518 9.0518 9.9423 9.9423 9.9467 9.9467 10.7844 10.7844 10.7916 10.7916 11.3451 11.3451 11.3510 11.3510 13.6046 13.6046 13.6154 13.6154 14.3817 14.3817 14.3961 14.3961 k = 0.5000 0.5399-0.1009 ( 3636 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5567 -20.5567 -20.5551 -20.5551 -19.9392 -19.9392 -19.9215 -19.9215 -19.8837 -19.8837 -19.8677 -19.8677 2.0684 2.0684 2.0698 2.0698 5.9539 5.9539 5.9568 5.9568 8.9701 8.9701 8.9741 8.9741 9.8947 9.8947 9.8986 9.8986 10.8034 10.8034 10.8105 10.8105 11.3563 11.3563 11.3620 11.3620 13.5686 13.5686 13.5791 13.5791 14.4672 14.4672 14.4818 14.4818 k = 0.5000 0.5282-0.1154 ( 3628 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5566 -20.5566 -20.5551 -20.5551 -19.9386 -19.9386 -19.9221 -19.9221 -19.8831 -19.8831 -19.8681 -19.8681 2.0411 2.0411 2.0425 2.0425 6.0595 6.0595 6.0624 6.0624 8.8889 8.8889 8.8929 8.8929 9.8484 9.8484 9.8520 9.8520 10.8207 10.8207 10.8277 10.8277 11.3680 11.3680 11.3734 11.3734 13.5320 13.5320 13.5421 13.5421 14.5603 14.5603 14.5750 14.5750 k = 0.5000 0.5165-0.1299 ( 3620 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5565 -20.5565 -20.5551 -20.5551 -19.9380 -19.9380 -19.9227 -19.9227 -19.8824 -19.8824 -19.8685 -19.8685 2.0155 2.0155 2.0167 2.0167 6.1671 6.1671 6.1699 6.1699 8.8040 8.8040 8.8079 8.8079 9.8042 9.8042 9.8074 9.8074 10.8362 10.8362 10.8428 10.8428 11.3806 11.3806 11.3856 11.3856 13.4957 13.4957 13.5052 13.5052 14.6597 14.6597 14.6744 14.6744 k = 0.5000 0.5048-0.1444 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5564 -20.5564 -20.5551 -20.5551 -19.9375 -19.9375 -19.9233 -19.9233 -19.8818 -19.8818 -19.8689 -19.8689 1.9916 1.9916 1.9927 1.9927 6.2765 6.2765 6.2793 6.2793 8.7153 8.7153 8.7191 8.7191 9.7624 9.7624 9.7653 9.7653 10.8498 10.8498 10.8561 10.8561 11.3938 11.3938 11.3984 11.3984 13.4601 13.4601 13.4689 13.4689 14.7640 14.7640 14.7787 14.7787 k = 0.5000 0.4931-0.1589 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5563 -20.5563 -20.5551 -20.5551 -19.9369 -19.9369 -19.9239 -19.9239 -19.8812 -19.8812 -19.8694 -19.8694 1.9695 1.9695 1.9705 1.9705 6.3875 6.3875 6.3902 6.3902 8.6230 8.6230 8.6267 8.6267 9.7236 9.7236 9.7262 9.7262 10.8616 10.8616 10.8674 10.8674 11.4077 11.4077 11.4118 11.4118 13.4258 13.4258 13.4339 13.4339 14.8722 14.8722 14.8870 14.8870 k = 0.5000 0.4814-0.1734 ( 3620 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5562 -20.5562 -20.5551 -20.5551 -19.9363 -19.9363 -19.9246 -19.9246 -19.8805 -19.8805 -19.8699 -19.8699 1.9493 1.9493 1.9502 1.9502 6.4998 6.4998 6.5026 6.5026 8.5271 8.5271 8.5307 8.5307 9.6879 9.6879 9.6902 9.6902 10.8717 10.8717 10.8770 10.8770 11.4220 11.4220 11.4257 11.4257 13.3932 13.3932 13.4006 13.4006 14.9831 14.9831 14.9979 14.9979 k = 0.5000 0.4697-0.1879 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5561 -20.5561 -20.5551 -20.5551 -19.9357 -19.9357 -19.9252 -19.9252 -19.8799 -19.8799 -19.8704 -19.8704 1.9310 1.9310 1.9318 1.9318 6.6134 6.6134 6.6161 6.6161 8.4278 8.4278 8.4313 8.4313 9.6558 9.6558 9.6577 9.6577 10.8801 10.8801 10.8849 10.8849 11.4364 11.4364 11.4395 11.4395 13.3626 13.3626 13.3693 13.3693 15.0953 15.0953 15.1101 15.1101 k = 0.5000 0.4580-0.2023 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5560 -20.5560 -20.5552 -20.5552 -19.9351 -19.9351 -19.9259 -19.9259 -19.8793 -19.8793 -19.8709 -19.8709 1.9148 1.9148 1.9155 1.9155 6.7280 6.7280 6.7307 6.7307 8.3255 8.3255 8.3289 8.3289 9.6272 9.6272 9.6289 9.6289 10.8872 10.8872 10.8914 10.8914 11.4505 11.4505 11.4531 11.4531 13.3346 13.3346 13.3406 13.3406 15.2072 15.2072 15.2220 15.2220 k = 0.5000 0.4463-0.2168 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5560 -20.5560 -20.5552 -20.5552 -19.9345 -19.9345 -19.9265 -19.9265 -19.8786 -19.8786 -19.8714 -19.8714 1.9007 1.9007 1.9013 1.9013 6.8434 6.8434 6.8461 6.8461 8.2203 8.2203 8.2236 8.2236 9.6024 9.6024 9.6038 9.6038 10.8929 10.8929 10.8965 10.8965 11.4638 11.4638 11.4660 11.4660 13.3095 13.3095 13.3146 13.3146 15.3165 15.3165 15.3310 15.3310 k = 0.5000 0.4346-0.2313 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5559 -20.5559 -20.5553 -20.5553 -19.9339 -19.9339 -19.9272 -19.9272 -19.8780 -19.8780 -19.8720 -19.8720 1.8887 1.8887 1.8891 1.8891 6.9594 6.9594 6.9622 6.9622 8.1127 8.1127 8.1159 8.1159 9.5813 9.5813 9.5825 9.5825 10.8976 10.8976 10.9005 10.9005 11.4760 11.4760 11.4777 11.4777 13.2876 13.2876 13.2919 13.2919 15.4191 15.4191 15.4327 15.4327 k = 0.5000 0.4229-0.2458 ( 3618 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5558 -20.5558 -20.5553 -20.5553 -19.9332 -19.9332 -19.9279 -19.9279 -19.8773 -19.8773 -19.8725 -19.8725 1.8788 1.8788 1.8792 1.8792 7.0758 7.0758 7.0786 7.0786 8.0030 8.0030 8.0062 8.0062 9.5641 9.5641 9.5650 9.5650 10.9012 10.9012 10.9036 10.9036 11.4866 11.4866 11.4880 11.4880 13.2693 13.2693 13.2728 13.2728 15.5085 15.5085 15.5195 15.5195 k = 0.5000 0.4112-0.2603 ( 3622 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5557 -20.5557 -20.5553 -20.5553 -19.9326 -19.9326 -19.9285 -19.9285 -19.8767 -19.8767 -19.8731 -19.8731 1.8711 1.8711 1.8714 1.8714 7.1922 7.1922 7.1950 7.1950 7.8917 7.8917 7.8947 7.8947 9.5507 9.5507 9.5514 9.5514 10.9040 10.9040 10.9058 10.9058 11.4953 11.4953 11.4963 11.4963 13.2548 13.2548 13.2574 13.2574 15.5771 15.5771 15.5836 15.5836 k = 0.5000 0.3995-0.2748 ( 3626 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5556 -20.5556 -20.5554 -20.5554 -19.9319 -19.9319 -19.9292 -19.9292 -19.8761 -19.8761 -19.8736 -19.8736 1.8656 1.8656 1.8658 1.8658 7.3081 7.3081 7.3109 7.3109 7.7794 7.7794 7.7823 7.7823 9.5412 9.5412 9.5417 9.5417 10.9060 10.9060 10.9071 10.9071 11.5019 11.5019 11.5025 11.5025 13.2444 13.2444 13.2462 13.2462 15.6228 15.6228 15.6255 15.6255 k = 0.5000 0.3878-0.2893 ( 3624 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5556 -20.5556 -20.5554 -20.5554 -19.9313 -19.9313 -19.9299 -19.9299 -19.8755 -19.8755 -19.8742 -19.8742 1.8623 1.8623 1.8624 1.8624 7.4215 7.4215 7.4242 7.4242 7.6682 7.6682 7.6710 7.6710 9.5356 9.5356 9.5358 9.5358 10.9072 10.9072 10.9078 10.9078 11.5059 11.5059 11.5062 11.5062 13.2383 13.2383 13.2391 13.2391 15.6493 15.6493 15.6500 15.6500 k = 0.5000 0.3761-0.3037 ( 3630 PWs) bands (ev): -43.7894 -43.7894 -43.7894 -43.7894 -20.5555 -20.5555 -20.5555 -20.5555 -19.9306 -19.9306 -19.9306 -19.9306 -19.8749 -19.8749 -19.8749 -19.8749 1.8612 1.8612 1.8612 1.8612 7.5050 7.5050 7.5050 7.5050 7.5882 7.5882 7.5882 7.5882 9.5337 9.5337 9.5337 9.5337 10.9079 10.9079 10.9079 10.9079 11.5074 11.5074 11.5074 11.5074 13.2365 13.2365 13.2365 13.2365 15.6583 15.6583 15.6583 15.6583 k = 0.5000 0.3761 0.4925 ( 3622 PWs) bands (ev): -43.7961 -43.7961 -43.7827 -43.7827 -20.5760 -20.5760 -20.5386 -20.5386 -19.9580 -19.9580 -19.9132 -19.9132 -19.8866 -19.8866 -19.8541 -19.8541 1.8909 1.8909 3.0483 3.0483 4.7537 4.7537 6.6923 6.6923 7.4774 7.4774 7.8980 7.8980 9.8951 9.8951 10.0027 10.0027 10.5508 10.5508 11.4196 11.4196 12.4564 12.4564 12.6213 12.6213 13.4597 13.4597 13.8380 13.8380 14.1522 14.1522 14.6956 14.6956 k = 0.4884 0.3673 0.4811 ( 3618 PWs) bands (ev): -43.7961 -43.7961 -43.7827 -43.7827 -20.5760 -20.5760 -20.5385 -20.5385 -19.9580 -19.9580 -19.9132 -19.9132 -19.8865 -19.8865 -19.8541 -19.8541 1.8822 1.8822 3.0583 3.0583 4.7547 4.7547 6.6928 6.6928 7.4777 7.4777 7.8998 7.8998 9.8801 9.8801 10.0187 10.0187 10.5487 10.5487 11.4185 11.4185 12.4545 12.4545 12.6166 12.6166 13.4540 13.4540 13.8318 13.8318 14.1571 14.1571 14.6988 14.6988 k = 0.4767 0.3586 0.4696 ( 3616 PWs) bands (ev): -43.7962 -43.7962 -43.7826 -43.7826 -20.5761 -20.5761 -20.5384 -20.5384 -19.9580 -19.9580 -19.9132 -19.9132 -19.8864 -19.8864 -19.8541 -19.8541 1.8573 1.8573 3.0873 3.0873 4.7577 4.7577 6.6941 6.6941 7.4787 7.4787 7.9054 7.9054 9.8482 9.8482 10.0534 10.0534 10.5425 10.5425 11.4151 11.4151 12.4482 12.4482 12.6028 12.6028 13.4372 13.4372 13.8141 13.8141 14.1715 14.1715 14.7081 14.7081 k = 0.4651 0.3499 0.4581 ( 3619 PWs) bands (ev): -43.7962 -43.7962 -43.7825 -43.7825 -20.5763 -20.5763 -20.5382 -20.5382 -19.9581 -19.9581 -19.9133 -19.9133 -19.8862 -19.8862 -19.8541 -19.8541 1.8182 1.8182 3.1332 3.1332 4.7627 4.7627 6.6963 6.6963 7.4804 7.4804 7.9146 7.9146 9.8118 9.8118 10.0944 10.0944 10.5323 10.5323 11.4096 11.4096 12.4363 12.4363 12.5812 12.5812 13.4100 13.4100 13.7867 13.7867 14.1947 14.1947 14.7224 14.7224 k = 0.4535 0.3411 0.4467 ( 3621 PWs) bands (ev): -43.7963 -43.7963 -43.7825 -43.7825 -20.5766 -20.5766 -20.5378 -20.5378 -19.9583 -19.9583 -19.9134 -19.9134 -19.8860 -19.8860 -19.8541 -19.8541 1.7679 1.7679 3.1930 3.1930 4.7697 4.7697 6.6994 6.6994 7.4829 7.4829 7.9273 7.9273 9.7747 9.7747 10.1377 10.1377 10.5184 10.5184 11.4020 11.4020 12.4170 12.4170 12.5538 12.5538 13.3732 13.3732 13.7526 13.7526 14.2257 14.2257 14.7405 14.7405 k = 0.4419 0.3324 0.4352 ( 3622 PWs) bands (ev): -43.7965 -43.7965 -43.7823 -43.7823 -20.5769 -20.5769 -20.5374 -20.5374 -19.9585 -19.9585 -19.9134 -19.9134 -19.8857 -19.8857 -19.8541 -19.8541 1.7091 1.7091 3.2639 3.2639 4.7786 4.7786 6.7033 6.7033 7.4862 7.4862 7.9434 7.9434 9.7381 9.7381 10.1817 10.1817 10.5011 10.5011 11.3925 11.3925 12.3880 12.3880 12.5226 12.5226 13.3281 13.3281 13.7151 13.7151 14.2633 14.2633 14.7610 14.7610 k = 0.4302 0.3236 0.4238 ( 3624 PWs) bands (ev): -43.7966 -43.7966 -43.7822 -43.7822 -20.5773 -20.5773 -20.5369 -20.5369 -19.9587 -19.9587 -19.9135 -19.9135 -19.8853 -19.8853 -19.8542 -19.8542 1.6443 1.6443 3.3435 3.3435 4.7895 4.7895 6.7080 6.7080 7.4904 7.4904 7.9627 7.9627 9.7026 9.7026 10.2251 10.2251 10.4814 10.4814 11.3814 11.3814 12.3478 12.3478 12.4889 12.4889 13.2756 13.2756 13.6778 13.6778 14.3065 14.3065 14.7828 14.7828 k = 0.4186 0.3149 0.4123 ( 3623 PWs) bands (ev): -43.7968 -43.7968 -43.7820 -43.7820 -20.5777 -20.5777 -20.5364 -20.5364 -19.9589 -19.9589 -19.9136 -19.9136 -19.8848 -19.8848 -19.8542 -19.8542 1.5754 1.5754 3.4298 3.4298 4.8024 4.8024 6.7136 6.7136 7.4957 7.4957 7.9851 7.9851 9.6684 9.6684 10.2659 10.2659 10.4610 10.4610 11.3687 11.3687 12.2967 12.2967 12.4523 12.4523 13.2166 13.2166 13.6439 13.6439 14.3541 14.3541 14.8052 14.8052 k = 0.4070 0.3061 0.4009 ( 3622 PWs) bands (ev): -43.7969 -43.7969 -43.7819 -43.7819 -20.5782 -20.5782 -20.5357 -20.5357 -19.9591 -19.9591 -19.9137 -19.9137 -19.8843 -19.8843 -19.8543 -19.8543 1.5038 1.5038 3.5214 3.5214 4.8172 4.8172 6.7200 6.7200 7.5022 7.5022 8.0104 8.0104 9.6358 9.6358 10.2991 10.2991 10.4447 10.4447 11.3546 11.3546 12.2364 12.2364 12.4110 12.4110 13.1518 13.1518 13.6162 13.6162 14.4051 14.4051 14.8275 14.8275 k = 0.3953 0.2974 0.3894 ( 3623 PWs) bands (ev): -43.7971 -43.7971 -43.7817 -43.7817 -20.5787 -20.5787 -20.5350 -20.5350 -19.9595 -19.9595 -19.9138 -19.9138 -19.8837 -19.8837 -19.8543 -19.8543 1.4306 1.4306 3.6171 3.6171 4.8338 4.8338 6.7271 6.7271 7.5098 7.5098 8.0384 8.0384 9.6050 9.6050 10.3138 10.3138 10.4433 10.4433 11.3394 11.3394 12.1687 12.1687 12.3639 12.3639 13.0821 13.0821 13.5967 13.5967 14.4586 14.4586 14.8493 14.8493 k = 0.3837 0.2886 0.3780 ( 3622 PWs) bands (ev): -43.7973 -43.7973 -43.7815 -43.7815 -20.5792 -20.5792 -20.5343 -20.5343 -19.9598 -19.9598 -19.9139 -19.9139 -19.8831 -19.8831 -19.8544 -19.8544 1.3567 1.3567 3.7160 3.7160 4.8524 4.8524 6.7350 6.7350 7.5188 7.5188 8.0687 8.0687 9.5761 9.5761 10.3024 10.3024 10.4643 10.4643 11.3232 11.3232 12.0949 12.0949 12.3102 12.3102 13.0082 13.0082 13.5863 13.5863 14.5141 14.5141 14.8706 14.8706 k = 0.3721 0.2799 0.3665 ( 3628 PWs) bands (ev): -43.7976 -43.7976 -43.7813 -43.7813 -20.5798 -20.5798 -20.5335 -20.5335 -19.9602 -19.9602 -19.9140 -19.9140 -19.8824 -19.8824 -19.8544 -19.8544 1.2827 1.2827 3.8175 3.8175 4.8728 4.8728 6.7435 6.7435 7.5291 7.5291 8.1013 8.1013 9.5493 9.5493 10.2738 10.2738 10.4986 10.4986 11.3062 11.3062 12.0164 12.0164 12.2503 12.2503 12.9311 12.9311 13.5853 13.5853 14.5707 14.5707 14.8912 14.8912 k = 0.3605 0.2711 0.3551 ( 3631 PWs) bands (ev): -43.7978 -43.7978 -43.7810 -43.7810 -20.5804 -20.5804 -20.5327 -20.5327 -19.9605 -19.9605 -19.9141 -19.9141 -19.8818 -19.8818 -19.8545 -19.8545 1.2090 1.2090 3.9209 3.9209 4.8950 4.8950 6.7527 6.7527 7.5409 7.5409 8.1358 8.1358 9.5247 9.5247 10.2367 10.2367 10.5373 10.5373 11.2885 11.2885 11.9341 11.9341 12.1848 12.1848 12.8514 12.8514 13.5930 13.5930 14.6280 14.6280 14.9113 14.9113 k = 0.3488 0.2624 0.3436 ( 3630 PWs) bands (ev): -43.7981 -43.7981 -43.7808 -43.7808 -20.5810 -20.5810 -20.5319 -20.5319 -19.9610 -19.9610 -19.9142 -19.9142 -19.8810 -19.8810 -19.8546 -19.8546 1.1361 1.1361 4.0259 4.0259 4.9189 4.9189 6.7624 6.7624 7.5540 7.5540 8.1719 8.1719 9.5025 9.5025 10.1947 10.1947 10.5764 10.5764 11.2704 11.2704 11.8489 11.8489 12.1151 12.1151 12.7702 12.7702 13.6087 13.6087 14.6854 14.6854 14.9310 14.9310 k = 0.3372 0.2536 0.3322 ( 3630 PWs) bands (ev): -43.7983 -43.7983 -43.7806 -43.7806 -20.5816 -20.5816 -20.5310 -20.5310 -19.9614 -19.9614 -19.9143 -19.9143 -19.8803 -19.8803 -19.8547 -19.8547 1.0642 1.0642 4.1320 4.1320 4.9446 4.9446 6.7727 6.7727 7.5686 7.5686 8.2093 8.2093 9.4830 9.4830 10.1492 10.1492 10.6138 10.6138 11.2519 11.2519 11.7618 11.7618 12.0423 12.0423 12.6880 12.6880 13.6313 13.6313 14.7425 14.7425 14.9505 14.9505 k = 0.3256 0.2449 0.3207 ( 3633 PWs) bands (ev): -43.7986 -43.7986 -43.7803 -43.7803 -20.5823 -20.5823 -20.5301 -20.5301 -19.9619 -19.9619 -19.9143 -19.9143 -19.8795 -19.8795 -19.8548 -19.8548 0.9936 0.9936 4.2389 4.2389 4.9720 4.9720 6.7835 6.7835 7.5847 7.5847 8.2477 8.2477 9.4662 9.4662 10.1011 10.1011 10.6481 10.6481 11.2333 11.2333 11.6738 11.6738 11.9679 11.9679 12.6055 12.6055 13.6596 13.6596 14.7988 14.7988 14.9702 14.9702 k = 0.3140 0.2362 0.3092 ( 3632 PWs) bands (ev): -43.7988 -43.7988 -43.7801 -43.7801 -20.5829 -20.5829 -20.5292 -20.5292 -19.9624 -19.9624 -19.9144 -19.9144 -19.8787 -19.8787 -19.8548 -19.8548 0.9245 0.9245 4.3464 4.3464 5.0011 5.0011 6.7946 6.7946 7.6021 7.6021 8.2866 8.2866 9.4525 9.4525 10.0507 10.0507 10.6780 10.6780 11.2143 11.2143 11.5864 11.5864 11.8930 11.8930 12.5232 12.5232 13.6926 13.6926 14.8538 14.8538 14.9903 14.9903 k = 0.3023 0.2274 0.2978 ( 3634 PWs) bands (ev): -43.7991 -43.7991 -43.7798 -43.7798 -20.5835 -20.5835 -20.5283 -20.5283 -19.9629 -19.9629 -19.9144 -19.9144 -19.8779 -19.8779 -19.8549 -19.8549 0.8571 0.8571 4.4541 4.4541 5.0318 5.0318 6.8060 6.8060 7.6208 7.6208 8.3257 8.3257 9.4421 9.4421 9.9983 9.9983 10.7020 10.7020 11.1943 11.1943 11.5019 11.5019 11.8189 11.8189 12.4415 12.4415 13.7295 13.7295 14.9068 14.9068 15.0113 15.0113 k = 0.2907 0.2187 0.2863 ( 3628 PWs) bands (ev): -43.7993 -43.7993 -43.7796 -43.7796 -20.5841 -20.5841 -20.5273 -20.5273 -19.9633 -19.9633 -19.9144 -19.9144 -19.8771 -19.8771 -19.8549 -19.8549 0.7915 0.7915 4.5617 4.5617 5.0642 5.0642 6.8177 6.8177 7.6408 7.6408 8.3644 8.3644 9.4353 9.4353 9.9442 9.9442 10.7184 10.7184 11.1710 11.1710 11.4243 11.4243 11.7466 11.7466 12.3606 12.3606 13.7694 13.7694 14.9568 14.9568 15.0339 15.0339 k = 0.2791 0.2099 0.2749 ( 3631 PWs) bands (ev): -43.7996 -43.7996 -43.7793 -43.7793 -20.5847 -20.5847 -20.5264 -20.5264 -19.9639 -19.9639 -19.9144 -19.9144 -19.8763 -19.8763 -19.8550 -19.8550 0.7279 0.7279 4.6689 4.6689 5.0982 5.0982 6.8297 6.8297 7.6617 7.6617 8.4022 8.4022 9.4323 9.4323 9.8887 9.8887 10.7260 10.7260 11.1389 11.1389 11.3605 11.3605 11.6771 11.6771 12.2809 12.2809 13.8116 13.8116 15.0024 15.0024 15.0595 15.0595 k = 0.2674 0.2012 0.2634 ( 3636 PWs) bands (ev): -43.7998 -43.7998 -43.7791 -43.7791 -20.5854 -20.5854 -20.5255 -20.5255 -19.9644 -19.9644 -19.9144 -19.9144 -19.8755 -19.8755 -19.8551 -19.8551 0.6662 0.6662 4.7752 4.7752 5.1341 5.1341 6.8417 6.8417 7.6834 7.6834 8.4386 8.4386 9.4335 9.4335 9.8318 9.8318 10.7239 10.7239 11.0915 11.0915 11.3184 11.3184 11.6112 11.6112 12.2024 12.2024 13.8555 13.8555 15.0412 15.0412 15.0901 15.0901 k = 0.2558 0.1924 0.2520 ( 3632 PWs) bands (ev): -43.8001 -43.8001 -43.7789 -43.7789 -20.5860 -20.5860 -20.5246 -20.5246 -19.9650 -19.9650 -19.9144 -19.9144 -19.8747 -19.8747 -19.8551 -19.8551 0.6067 0.6067 4.8802 4.8802 5.1721 5.1721 6.8538 6.8538 7.7057 7.7057 8.4732 8.4732 9.4389 9.4389 9.7739 9.7739 10.7119 10.7119 11.0285 11.0285 11.2988 11.2988 11.5495 11.5495 12.1254 12.1254 13.9004 13.9004 15.0733 15.0733 15.1258 15.1258 k = 0.2442 0.1837 0.2405 ( 3634 PWs) bands (ev): -43.8003 -43.8003 -43.7786 -43.7786 -20.5866 -20.5866 -20.5237 -20.5237 -19.9655 -19.9655 -19.9143 -19.9143 -19.8740 -19.8740 -19.8551 -19.8551 0.5495 0.5495 4.9827 4.9827 5.2130 5.2130 6.8660 6.8660 7.7281 7.7281 8.5053 8.5053 9.4486 9.4486 9.7153 9.7153 10.6906 10.6906 10.9562 10.9562 11.2951 11.2951 11.4926 11.4926 12.0498 12.0498 13.9460 13.9460 15.1016 15.1016 15.1638 15.1638 k = 0.2326 0.1749 0.2291 ( 3634 PWs) bands (ev): -43.8006 -43.8006 -43.7784 -43.7784 -20.5872 -20.5872 -20.5228 -20.5228 -19.9661 -19.9661 -19.9143 -19.9143 -19.8733 -19.8733 -19.8551 -19.8551 0.4945 0.4945 5.0806 5.0806 5.2587 5.2587 6.8781 6.8781 7.7504 7.7504 8.5346 8.5346 9.4620 9.4620 9.6569 9.6569 10.6615 10.6615 10.8807 10.8807 11.3005 11.3005 11.4409 11.4409 11.9758 11.9758 13.9917 13.9917 15.1289 15.1289 15.2015 15.2015 k = 0.2209 0.1662 0.2176 ( 3631 PWs) bands (ev): -43.8008 -43.8008 -43.7782 -43.7782 -20.5877 -20.5877 -20.5220 -20.5220 -19.9666 -19.9666 -19.9142 -19.9142 -19.8726 -19.8726 -19.8551 -19.8551 0.4418 0.4418 5.1696 5.1696 5.3132 5.3132 6.8902 6.8902 7.7719 7.7719 8.5608 8.5608 9.4763 9.4763 9.6015 9.6015 10.6261 10.6261 10.8057 10.8057 11.3104 11.3104 11.3947 11.3947 11.9036 11.9036 14.0371 14.0371 15.1566 15.1566 15.2381 15.2381 k = 0.2093 0.1574 0.2062 ( 3631 PWs) bands (ev): -43.8010 -43.8010 -43.7780 -43.7780 -20.5883 -20.5883 -20.5211 -20.5211 -19.9672 -19.9672 -19.9141 -19.9141 -19.8719 -19.8719 -19.8551 -19.8551 0.3916 0.3916 5.2438 5.2438 5.3822 5.3822 6.9022 6.9022 7.7923 7.7923 8.5837 8.5837 9.4780 9.4780 9.5627 9.5627 10.5863 10.5863 10.7330 10.7330 11.3193 11.3193 11.3562 11.3562 11.8334 11.8334 14.0818 14.0818 15.1852 15.1852 15.2734 15.2734 k = 0.1977 0.1487 0.1947 ( 3627 PWs) bands (ev): -43.8012 -43.8012 -43.7778 -43.7778 -20.5887 -20.5887 -20.5203 -20.5203 -19.9677 -19.9677 -19.9140 -19.9140 -19.8713 -19.8713 -19.8550 -19.8550 0.3438 0.3438 5.3023 5.3023 5.4661 5.4661 6.9141 6.9141 7.8107 7.8107 8.6034 8.6034 9.4418 9.4418 9.5658 9.5658 10.5435 10.5435 10.6644 10.6644 11.3062 11.3062 11.3441 11.3441 11.7657 11.7657 14.1253 14.1253 15.2152 15.2152 15.3074 15.3074 k = 0.1860 0.1399 0.1833 ( 3626 PWs) bands (ev): -43.8014 -43.8014 -43.7776 -43.7776 -20.5892 -20.5892 -20.5195 -20.5195 -19.9682 -19.9682 -19.9139 -19.9139 -19.8707 -19.8707 -19.8550 -19.8550 0.2985 0.2985 5.3510 5.3510 5.5587 5.5587 6.9259 6.9259 7.8265 7.8265 8.6200 8.6200 9.3853 9.3853 9.5927 9.5927 10.4986 10.4986 10.6012 10.6012 11.2760 11.2760 11.3510 11.3510 11.7016 11.7016 14.1675 14.1675 15.2468 15.2468 15.3401 15.3401 k = 0.1744 0.1312 0.1718 ( 3631 PWs) bands (ev): -43.8016 -43.8016 -43.7774 -43.7774 -20.5897 -20.5897 -20.5188 -20.5188 -19.9687 -19.9687 -19.9138 -19.9138 -19.8702 -19.8702 -19.8549 -19.8549 0.2558 0.2558 5.3948 5.3948 5.6549 5.6549 6.9375 6.9375 7.8391 7.8391 8.6338 8.6338 9.3242 9.3242 9.6277 9.6277 10.4519 10.4519 10.5453 10.5453 11.2471 11.2471 11.3552 11.3552 11.6430 11.6430 14.2079 14.2079 15.2799 15.2799 15.3717 15.3717 k = 0.1628 0.1224 0.1604 ( 3630 PWs) bands (ev): -43.8018 -43.8018 -43.7772 -43.7772 -20.5902 -20.5902 -20.5181 -20.5181 -19.9692 -19.9692 -19.9137 -19.9137 -19.8697 -19.8697 -19.8548 -19.8548 0.2156 0.2156 5.4358 5.4358 5.7521 5.7521 6.9490 6.9490 7.8475 7.8475 8.6453 8.6453 9.2620 9.2620 9.6671 9.6671 10.4033 10.4033 10.4984 10.4984 11.2212 11.2212 11.3508 11.3508 11.5934 11.5934 14.2463 14.2463 15.3145 15.3145 15.4021 15.4021 k = 0.1512 0.1137 0.1489 ( 3629 PWs) bands (ev): -43.8020 -43.8020 -43.7770 -43.7770 -20.5906 -20.5906 -20.5174 -20.5174 -19.9697 -19.9697 -19.9135 -19.9135 -19.8693 -19.8693 -19.8547 -19.8547 0.1781 0.1781 5.4749 5.4749 5.8489 5.8489 6.9605 6.9605 7.8511 7.8511 8.6549 8.6549 9.2000 9.2000 9.7093 9.7093 10.3532 10.3532 10.4612 10.4612 11.1982 11.1982 11.3326 11.3326 11.5571 11.5571 14.2825 14.2825 15.3505 15.3505 15.4314 15.4314 k = 0.1395 0.1050 0.1374 ( 3633 PWs) bands (ev): -43.8022 -43.8022 -43.7769 -43.7769 -20.5910 -20.5910 -20.5168 -20.5168 -19.9701 -19.9701 -19.9134 -19.9134 -19.8689 -19.8689 -19.8545 -19.8545 0.1433 0.1433 5.5124 5.5124 5.9447 5.9447 6.9718 6.9718 7.8492 7.8492 8.6629 8.6629 9.1391 9.1391 9.7534 9.7534 10.3031 10.3031 10.4333 10.4333 11.1780 11.1780 11.2984 11.2984 11.5364 11.5364 14.3163 14.3163 15.3873 15.3873 15.4598 15.4598 k = 0.1279 0.0962 0.1260 ( 3633 PWs) bands (ev): -43.8023 -43.8023 -43.7767 -43.7767 -20.5914 -20.5914 -20.5162 -20.5162 -19.9705 -19.9705 -19.9133 -19.9133 -19.8686 -19.8686 -19.8544 -19.8544 0.1111 0.1111 5.5482 5.5482 6.0389 6.0389 6.9831 6.9831 7.8411 7.8411 8.6700 8.6700 9.0800 9.0800 9.7988 9.7988 10.2543 10.2543 10.4136 10.4136 11.1598 11.1598 11.2518 11.2518 11.5280 11.5280 14.3476 14.3476 15.4242 15.4242 15.4877 15.4877 k = 0.1163 0.0875 0.1145 ( 3636 PWs) bands (ev): -43.8025 -43.8025 -43.7766 -43.7766 -20.5917 -20.5917 -20.5157 -20.5157 -19.9709 -19.9709 -19.9132 -19.9132 -19.8683 -19.8683 -19.8542 -19.8542 0.0816 0.0816 5.5822 5.5822 6.1310 6.1310 6.9945 6.9945 7.8267 7.8267 8.6763 8.6763 9.0235 9.0235 9.8449 9.8449 10.2081 10.2081 10.4010 10.4010 11.1423 11.1423 11.1993 11.1993 11.5267 11.5267 14.3763 14.3763 15.4596 15.4596 15.5159 15.5159 k = 0.1047 0.0787 0.1031 ( 3634 PWs) bands (ev): -43.8026 -43.8026 -43.7765 -43.7765 -20.5920 -20.5920 -20.5152 -20.5152 -19.9713 -19.9713 -19.9131 -19.9131 -19.8681 -19.8681 -19.8541 -19.8541 0.0549 0.0549 5.6141 5.6141 6.2206 6.2206 7.0061 7.0061 7.8057 7.8057 8.6821 8.6821 8.9702 8.9702 9.8914 9.8914 10.1651 10.1651 10.3946 10.3946 11.1158 11.1158 11.1541 11.1541 11.5289 11.5289 14.4022 14.4022 15.4915 15.4915 15.5458 15.5458 k = 0.0930 0.0700 0.0916 ( 3638 PWs) bands (ev): -43.8027 -43.8027 -43.7763 -43.7763 -20.5923 -20.5923 -20.5147 -20.5147 -19.9716 -19.9716 -19.9130 -19.9130 -19.8679 -19.8679 -19.8539 -19.8539 0.0309 0.0309 5.6437 5.6437 6.3068 6.3068 7.0179 7.0179 7.7785 7.7785 8.6875 8.6875 8.9208 8.9208 9.9377 9.9377 10.1260 10.1260 10.3932 10.3932 11.0653 11.0653 11.1335 11.1335 11.5325 11.5325 14.4254 14.4254 15.5177 15.5177 15.5785 15.5785 k = 0.0814 0.0612 0.0802 ( 3638 PWs) bands (ev): -43.8028 -43.8028 -43.7762 -43.7762 -20.5925 -20.5925 -20.5144 -20.5144 -19.9719 -19.9719 -19.9129 -19.9129 -19.8678 -19.8678 -19.8538 -19.8538 0.0098 0.0098 5.6708 5.6708 6.3888 6.3888 7.0303 7.0303 7.7456 7.7456 8.6926 8.6926 8.8759 8.8759 9.9832 9.9832 10.0916 10.0916 10.3957 10.3957 11.0063 11.0063 11.1232 11.1232 11.5366 11.5366 14.4459 14.4459 15.5377 15.5377 15.6130 15.6130 k = 0.0698 0.0525 0.0687 ( 3638 PWs) bands (ev): -43.8029 -43.8029 -43.7762 -43.7762 -20.5927 -20.5927 -20.5140 -20.5140 -19.9721 -19.9721 -19.9128 -19.9128 -19.8677 -19.8677 -19.8536 -19.8536 -0.0086 -0.0086 5.6950 5.6950 6.4656 6.4656 7.0436 7.0436 7.7079 7.7079 8.6973 8.6973 8.8360 8.8360 10.0233 10.0233 10.0665 10.0665 10.4008 10.4008 10.9467 10.9467 11.1164 11.1164 11.5406 11.5406 14.4636 14.4636 15.5523 15.5523 15.6470 15.6470 k = 0.0581 0.0437 0.0573 ( 3642 PWs) bands (ev): -43.8030 -43.8030 -43.7761 -43.7761 -20.5929 -20.5929 -20.5137 -20.5137 -19.9724 -19.9724 -19.9127 -19.9127 -19.8676 -19.8676 -19.8535 -19.8535 -0.0242 -0.0242 5.7160 5.7160 6.5356 6.5356 7.0580 7.0580 7.6670 7.6670 8.7015 8.7015 8.8015 8.8015 10.0245 10.0245 10.0838 10.0838 10.4073 10.4073 10.8889 10.8889 11.1117 11.1117 11.5443 11.5443 14.4785 14.4785 15.5619 15.5619 15.6780 15.6780 k = 0.0465 0.0350 0.0458 ( 3643 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5931 -20.5931 -20.5135 -20.5135 -19.9726 -19.9726 -19.9126 -19.9126 -19.8675 -19.8675 -19.8534 -19.8534 -0.0370 -0.0370 5.7336 5.7336 6.5970 6.5970 7.0738 7.0738 7.6248 7.6248 8.7051 8.7051 8.7730 8.7730 10.0054 10.0054 10.1239 10.1239 10.4142 10.4142 10.8347 10.8347 11.1084 11.1084 11.5474 11.5474 14.4908 14.4908 15.5670 15.5670 15.7035 15.7035 k = 0.0349 0.0262 0.0344 ( 3641 PWs) bands (ev): -43.8031 -43.8031 -43.7760 -43.7760 -20.5932 -20.5932 -20.5133 -20.5133 -19.9727 -19.9727 -19.9126 -19.9126 -19.8675 -19.8675 -19.8533 -19.8533 -0.0469 -0.0469 5.7476 5.7476 6.6475 6.6475 7.0905 7.0905 7.5843 7.5843 8.7077 8.7077 8.7508 8.7508 9.9889 9.9889 10.1623 10.1623 10.4205 10.4205 10.7864 10.7864 11.1064 11.1064 11.5500 11.5500 14.5002 14.5002 15.5684 15.5684 15.7216 15.7216 k = 0.0233 0.0175 0.0229 ( 3639 PWs) bands (ev): -43.8031 -43.8031 -43.7759 -43.7759 -20.5933 -20.5933 -20.5132 -20.5132 -19.9728 -19.9728 -19.9125 -19.9125 -19.8674 -19.8674 -19.8532 -19.8532 -0.0540 -0.0540 5.7577 5.7577 6.6852 6.6852 7.1067 7.1067 7.5493 7.5493 8.7091 8.7091 8.7354 8.7354 9.9767 9.9767 10.1946 10.1946 10.4255 10.4255 10.7470 10.7470 11.1051 11.1051 11.5518 11.5518 14.5070 14.5070 15.5675 15.5675 15.7321 15.7321 k = 0.0116 0.0087 0.0115 ( 3629 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5130 -20.5130 -19.9728 -19.9728 -19.9125 -19.9125 -19.8674 -19.8674 -19.8531 -19.8531 -0.0583 -0.0583 5.7638 5.7638 6.7084 6.7084 7.1191 7.1191 7.5248 7.5248 8.7091 8.7091 8.7269 8.7269 9.9693 9.9693 10.2167 10.2167 10.4288 10.4288 10.7207 10.7207 11.1045 11.1045 11.5529 11.5529 14.5111 14.5111 15.5660 15.5660 15.7368 15.7368 k = 0.0000 0.0000 0.0000 ( 3625 PWs) bands (ev): -43.8032 -43.8032 -43.7759 -43.7759 -20.5933 -20.5933 -20.5130 -20.5130 -19.9728 -19.9728 -19.9124 -19.9124 -19.8674 -19.8674 -19.8531 -19.8531 -0.0597 -0.0597 5.7659 5.7659 6.7162 6.7162 7.1239 7.1239 7.5159 7.5159 8.7087 8.7087 8.7245 8.7245 9.9668 9.9668 10.2246 10.2246 10.4299 10.4299 10.7113 10.7113 11.1043 11.1043 11.5533 11.5533 14.5124 14.5124 15.5654 15.5654 15.7381 15.7381 Writing output data file TiSi2.save init_run : 3.24s CPU 13.07s WALL ( 1 calls) electrons : 930.46s CPU 943.61s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.64s WALL ( 1 calls) Called by electrons: c_bands : 930.43s CPU 943.34s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.96s WALL ( 1 calls) v_h : 0.03s CPU 0.10s WALL ( 1 calls) v_xc : 0.16s CPU 0.65s WALL ( 1 calls) newd : 0.59s CPU 0.66s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.15s WALL ( 427 calls) cegterg : 842.20s CPU 849.15s WALL ( 1229 calls) Called by sum_band: Called by *egterg: h_psi : 385.22s CPU 396.27s WALL ( 22558 calls) s_psi : 30.51s CPU 31.76s WALL ( 22558 calls) g_psi : 0.81s CPU 0.85s WALL ( 20902 calls) cdiaghg : 319.74s CPU 315.45s WALL ( 21329 calls) cegterg:over : 67.63s CPU 63.05s WALL ( 20902 calls) cegterg:upda : 11.01s CPU 17.03s WALL ( 20902 calls) cegterg:last : 9.47s CPU 10.59s WALL ( 2937 calls) Called by h_psi: h_psi:vloc : 316.54s CPU 326.82s WALL ( 22558 calls) h_psi:vnl : 68.39s CPU 68.56s WALL ( 22558 calls) add_vuspsi : 19.84s CPU 26.05s WALL ( 22558 calls) General routines calbec : 48.48s CPU 42.35s WALL ( 22558 calls) fft : 0.63s CPU 1.53s WALL ( 19 calls) ffts : 0.02s CPU 0.03s WALL ( 4 calls) fftw : 290.08s CPU 291.68s WALL ( 1700580 calls) interpolate : 0.08s CPU 0.10s WALL ( 4 calls) davcio : 0.02s CPU 5.06s WALL ( 854 calls) Parallel routines fft_scatter : 186.14s CPU 181.44s WALL ( 1700603 calls) PWSCF : 16m43.95s CPU 19m 9.67s WALL This run was terminated on: 12:14:47 23Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=