Program PWSCF v.5.1.1 starts on 16Jul2015 at 14:28:48 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./HgO.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 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 49 22 6 974 291 49 Max 50 23 7 977 300 51 Sum 1577 713 223 31201 9473 1623 bravais-lattice index = 14 lattice parameter (alat) = 6.9389 a.u. unit-cell volume = 217.6802 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.938928 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.593462 celldm(5)= -0.538951 celldm(6)= 0.132412 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.132412 0.991195 0.000000 ) a(3) = ( -0.538951 -0.526736 0.657329 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.133589 0.712862 ) b(2) = ( 0.000000 1.008884 0.808447 ) b(3) = ( 0.000000 0.000000 1.521308 ) PseudoPot. # 1 for Hg read from file: /home/autes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 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 1279 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 O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) O 6.00 15.99940 O( 1.00) No symmetry found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class: E 1 -E -1 Cartesian axes number of k points= 529 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018904 k( 2) = ( -0.0052269 0.0059716 0.0084514), wk = 0.0018904 k( 3) = ( -0.0104539 0.0119432 0.0169028), wk = 0.0018904 k( 4) = ( -0.0156808 0.0179149 0.0253542), wk = 0.0018904 k( 5) = ( -0.0209077 0.0238865 0.0338056), wk = 0.0018904 k( 6) = ( -0.0261346 0.0298581 0.0422570), wk = 0.0018904 k( 7) = ( -0.0313616 0.0358297 0.0507083), wk = 0.0018904 k( 8) = ( -0.0365885 0.0418014 0.0591597), wk = 0.0018904 k( 9) = ( -0.0418154 0.0477730 0.0676111), wk = 0.0018904 k( 10) = ( -0.0470424 0.0537446 0.0760625), wk = 0.0018904 k( 11) = ( -0.0522693 0.0597162 0.0845139), wk = 0.0018904 k( 12) = ( -0.0574962 0.0656878 0.0929653), wk = 0.0018904 k( 13) = ( -0.0627232 0.0716595 0.1014167), wk = 0.0018904 k( 14) = ( -0.0679501 0.0776311 0.1098681), wk = 0.0018904 k( 15) = ( -0.0731770 0.0836027 0.1183195), wk = 0.0018904 k( 16) = ( -0.0784040 0.0895743 0.1267709), wk = 0.0018904 k( 17) = ( -0.0836309 0.0955460 0.1352222), wk = 0.0018904 k( 18) = ( -0.0888578 0.1015176 0.1436736), wk = 0.0018904 k( 19) = ( -0.0940847 0.1074892 0.1521250), wk = 0.0018904 k( 20) = ( -0.0993117 0.1134608 0.1605764), wk = 0.0018904 k( 21) = ( -0.1045386 0.1194325 0.1690278), wk = 0.0018904 k( 22) = ( -0.1097655 0.1254041 0.1774792), wk = 0.0018904 k( 23) = ( -0.1149925 0.1313757 0.1859306), wk = 0.0018904 k( 24) = ( -0.1202194 0.1373473 0.1943820), wk = 0.0018904 k( 25) = ( -0.1254463 0.1433189 0.2028334), wk = 0.0018904 k( 26) = ( -0.1306732 0.1492906 0.2112848), wk = 0.0018904 k( 27) = ( -0.1359002 0.1552622 0.2197361), wk = 0.0018904 k( 28) = ( -0.1411271 0.1612338 0.2281875), wk = 0.0018904 k( 29) = ( -0.1463540 0.1672054 0.2366389), wk = 0.0018904 k( 30) = ( -0.1515810 0.1731771 0.2450903), wk = 0.0018904 k( 31) = ( -0.1568079 0.1791487 0.2535417), wk = 0.0018904 k( 32) = ( -0.1620348 0.1851203 0.2619931), wk = 0.0018904 k( 33) = ( -0.1672618 0.1910919 0.2704445), wk = 0.0018904 k( 34) = ( -0.1724887 0.1970635 0.2788959), wk = 0.0018904 k( 35) = ( -0.1777156 0.2030352 0.2873473), wk = 0.0018904 k( 36) = ( -0.1829426 0.2090068 0.2957987), wk = 0.0018904 k( 37) = ( -0.1881695 0.2149784 0.3042501), wk = 0.0018904 k( 38) = ( -0.1933964 0.2209500 0.3127014), wk = 0.0018904 k( 39) = ( -0.1986233 0.2269217 0.3211528), wk = 0.0018904 k( 40) = ( -0.2038503 0.2328933 0.3296042), wk = 0.0018904 k( 41) = ( -0.2090772 0.2388649 0.3380556), wk = 0.0018904 k( 42) = ( -0.2143041 0.2448365 0.3465070), wk = 0.0018904 k( 43) = ( -0.2195311 0.2508082 0.3549584), wk = 0.0018904 k( 44) = ( -0.2247580 0.2567798 0.3634098), wk = 0.0018904 k( 45) = ( -0.2299849 0.2627514 0.3718612), wk = 0.0018904 k( 46) = ( -0.2352119 0.2687230 0.3803126), wk = 0.0018904 k( 47) = ( -0.2404388 0.2746946 0.3887640), wk = 0.0018904 k( 48) = ( -0.2456657 0.2806663 0.3972153), wk = 0.0018904 k( 49) = ( -0.2508926 0.2866379 0.4056667), wk = 0.0018904 k( 50) = ( -0.2561196 0.2926095 0.4141181), wk = 0.0018904 k( 51) = ( -0.2613465 0.2985811 0.4225695), wk = 0.0018904 k( 52) = ( -0.2665734 0.3045528 0.4310209), wk = 0.0018904 k( 53) = ( -0.2718004 0.3105244 0.4394723), wk = 0.0018904 k( 54) = ( -0.2770273 0.3164960 0.4479237), wk = 0.0018904 k( 55) = ( -0.2822542 0.3224676 0.4563751), wk = 0.0018904 k( 56) = ( -0.2874812 0.3284392 0.4648265), wk = 0.0018904 k( 57) = ( -0.2927081 0.3344109 0.4732779), wk = 0.0018904 k( 58) = ( -0.2979350 0.3403825 0.4817292), wk = 0.0018904 k( 59) = ( -0.3031619 0.3463541 0.4901806), wk = 0.0018904 k( 60) = ( -0.3083889 0.3523257 0.4986320), wk = 0.0018904 k( 61) = ( -0.3136158 0.3582974 0.5070834), wk = 0.0018904 k( 62) = ( -0.3188427 0.3642690 0.5155348), wk = 0.0018904 k( 63) = ( -0.3240696 0.3702406 0.5239862), wk = 0.0018904 k( 64) = ( -0.3292966 0.3762122 0.5324376), wk = 0.0018904 k( 65) = ( -0.3345235 0.3821838 0.5408890), wk = 0.0018904 k( 66) = ( -0.3397504 0.3881555 0.5493404), wk = 0.0018904 k( 67) = ( -0.3397504 0.3881555 0.5493404), wk = 0.0018904 k( 68) = ( -0.3342610 0.3818839 0.5571668), wk = 0.0018904 k( 69) = ( -0.3287715 0.3756124 0.5649932), wk = 0.0018904 k( 70) = ( -0.3232821 0.3693408 0.5728197), wk = 0.0018904 k( 71) = ( -0.3177926 0.3630693 0.5806461), wk = 0.0018904 k( 72) = ( -0.3123032 0.3567977 0.5884726), wk = 0.0018904 k( 73) = ( -0.3068137 0.3505262 0.5962990), wk = 0.0018904 k( 74) = ( -0.3013243 0.3442546 0.6041254), wk = 0.0018904 k( 75) = ( -0.2958348 0.3379831 0.6119519), wk = 0.0018904 k( 76) = ( -0.2903454 0.3317115 0.6197783), wk = 0.0018904 k( 77) = ( -0.2848559 0.3254400 0.6276048), wk = 0.0018904 k( 78) = ( -0.2793665 0.3191684 0.6354312), wk = 0.0018904 k( 79) = ( -0.2738770 0.3128969 0.6432576), wk = 0.0018904 k( 80) = ( -0.2683876 0.3066253 0.6510841), wk = 0.0018904 k( 81) = ( -0.2628981 0.3003538 0.6589105), wk = 0.0018904 k( 82) = ( -0.2574087 0.2940823 0.6667370), wk = 0.0018904 k( 83) = ( -0.2519192 0.2878107 0.6745634), wk = 0.0018904 k( 84) = ( -0.2464298 0.2815392 0.6823898), wk = 0.0018904 k( 85) = ( -0.2409403 0.2752676 0.6902163), wk = 0.0018904 k( 86) = ( -0.2354508 0.2689961 0.6980427), wk = 0.0018904 k( 87) = ( -0.2299614 0.2627245 0.7058692), wk = 0.0018904 k( 88) = ( -0.2244719 0.2564530 0.7136956), wk = 0.0018904 k( 89) = ( -0.2189825 0.2501814 0.7215220), wk = 0.0018904 k( 90) = ( -0.2134930 0.2439099 0.7293485), wk = 0.0018904 k( 91) = ( -0.2080036 0.2376383 0.7371749), wk = 0.0018904 k( 92) = ( -0.2025141 0.2313668 0.7450013), wk = 0.0018904 k( 93) = ( -0.1970247 0.2250952 0.7528278), wk = 0.0018904 k( 94) = ( -0.1915352 0.2188237 0.7606542), wk = 0.0018904 k( 95) = ( -0.1915352 0.2188237 0.7606542), wk = 0.0018904 k( 96) = ( -0.1838738 0.2100707 0.7606542), wk = 0.0018904 k( 97) = ( -0.1762124 0.2013178 0.7606542), wk = 0.0018904 k( 98) = ( -0.1685510 0.1925648 0.7606542), wk = 0.0018904 k( 99) = ( -0.1608896 0.1838119 0.7606542), wk = 0.0018904 k( 100) = ( -0.1532282 0.1750589 0.7606542), wk = 0.0018904 k( 101) = ( -0.1455668 0.1663060 0.7606542), wk = 0.0018904 k( 102) = ( -0.1379054 0.1575531 0.7606542), wk = 0.0018904 k( 103) = ( -0.1302440 0.1488001 0.7606542), wk = 0.0018904 k( 104) = ( -0.1225825 0.1400472 0.7606542), wk = 0.0018904 k( 105) = ( -0.1149211 0.1312942 0.7606542), wk = 0.0018904 k( 106) = ( -0.1072597 0.1225413 0.7606542), wk = 0.0018904 k( 107) = ( -0.0995983 0.1137883 0.7606542), wk = 0.0018904 k( 108) = ( -0.0919369 0.1050354 0.7606542), wk = 0.0018904 k( 109) = ( -0.0842755 0.0962824 0.7606542), wk = 0.0018904 k( 110) = ( -0.0766141 0.0875295 0.7606542), wk = 0.0018904 k( 111) = ( -0.0689527 0.0787765 0.7606542), wk = 0.0018904 k( 112) = ( -0.0612913 0.0700236 0.7606542), wk = 0.0018904 k( 113) = ( -0.0536299 0.0612706 0.7606542), wk = 0.0018904 k( 114) = ( -0.0459685 0.0525177 0.7606542), wk = 0.0018904 k( 115) = ( -0.0383071 0.0437647 0.7606542), wk = 0.0018904 k( 116) = ( -0.0306456 0.0350118 0.7606542), wk = 0.0018904 k( 117) = ( -0.0229842 0.0262588 0.7606542), wk = 0.0018904 k( 118) = ( -0.0153228 0.0175059 0.7606542), wk = 0.0018904 k( 119) = ( -0.0076614 0.0087529 0.7606542), wk = 0.0018904 k( 120) = ( 0.0000000 0.0000000 0.7606542), wk = 0.0018904 k( 121) = ( 0.0000000 0.0000000 0.7606542), wk = 0.0018904 k( 122) = ( 0.0086207 0.0075456 0.7606542), wk = 0.0018904 k( 123) = ( 0.0172414 0.0150913 0.7606542), wk = 0.0018904 k( 124) = ( 0.0258621 0.0226369 0.7606542), wk = 0.0018904 k( 125) = ( 0.0344828 0.0301826 0.7606542), wk = 0.0018904 k( 126) = ( 0.0431035 0.0377282 0.7606542), wk = 0.0018904 k( 127) = ( 0.0517241 0.0452739 0.7606542), wk = 0.0018904 k( 128) = ( 0.0603448 0.0528195 0.7606542), wk = 0.0018904 k( 129) = ( 0.0689655 0.0603652 0.7606542), wk = 0.0018904 k( 130) = ( 0.0775862 0.0679108 0.7606542), wk = 0.0018904 k( 131) = ( 0.0862069 0.0754564 0.7606542), wk = 0.0018904 k( 132) = ( 0.0948276 0.0830021 0.7606542), wk = 0.0018904 k( 133) = ( 0.1034483 0.0905477 0.7606542), wk = 0.0018904 k( 134) = ( 0.1120690 0.0980934 0.7606542), wk = 0.0018904 k( 135) = ( 0.1206897 0.1056390 0.7606542), wk = 0.0018904 k( 136) = ( 0.1293103 0.1131847 0.7606542), wk = 0.0018904 k( 137) = ( 0.1379310 0.1207303 0.7606542), wk = 0.0018904 k( 138) = ( 0.1465517 0.1282760 0.7606542), wk = 0.0018904 k( 139) = ( 0.1551724 0.1358216 0.7606542), wk = 0.0018904 k( 140) = ( 0.1637931 0.1433672 0.7606542), wk = 0.0018904 k( 141) = ( 0.1724138 0.1509129 0.7606542), wk = 0.0018904 k( 142) = ( 0.1810345 0.1584585 0.7606542), wk = 0.0018904 k( 143) = ( 0.1896552 0.1660042 0.7606542), wk = 0.0018904 k( 144) = ( 0.1982759 0.1735498 0.7606542), wk = 0.0018904 k( 145) = ( 0.2068966 0.1810955 0.7606542), wk = 0.0018904 k( 146) = ( 0.2155172 0.1886411 0.7606542), wk = 0.0018904 k( 147) = ( 0.2241379 0.1961868 0.7606542), wk = 0.0018904 k( 148) = ( 0.2327586 0.2037324 0.7606542), wk = 0.0018904 k( 149) = ( 0.2413793 0.2112780 0.7606542), wk = 0.0018904 k( 150) = ( 0.2500000 0.2188237 0.7606542), wk = 0.0018904 k( 151) = ( 0.2500000 0.2188237 0.7606542), wk = 0.0018904 k( 152) = ( 0.2444444 0.2251708 0.7527335), wk = 0.0018904 k( 153) = ( 0.2388889 0.2315178 0.7448129), wk = 0.0018904 k( 154) = ( 0.2333333 0.2378649 0.7368922), wk = 0.0018904 k( 155) = ( 0.2277778 0.2442120 0.7289715), wk = 0.0018904 k( 156) = ( 0.2222222 0.2505590 0.7210508), wk = 0.0018904 k( 157) = ( 0.2166667 0.2569061 0.7131301), wk = 0.0018904 k( 158) = ( 0.2111111 0.2632532 0.7052094), wk = 0.0018904 k( 159) = ( 0.2055556 0.2696002 0.6972888), wk = 0.0018904 k( 160) = ( 0.2000000 0.2759473 0.6893681), wk = 0.0018904 k( 161) = ( 0.1944444 0.2822944 0.6814474), wk = 0.0018904 k( 162) = ( 0.1888889 0.2886414 0.6735267), wk = 0.0018904 k( 163) = ( 0.1833333 0.2949885 0.6656060), wk = 0.0018904 k( 164) = ( 0.1777778 0.3013356 0.6576853), wk = 0.0018904 k( 165) = ( 0.1722222 0.3076826 0.6497646), wk = 0.0018904 k( 166) = ( 0.1666667 0.3140297 0.6418440), wk = 0.0018904 k( 167) = ( 0.1611111 0.3203768 0.6339233), wk = 0.0018904 k( 168) = ( 0.1555556 0.3267238 0.6260026), wk = 0.0018904 k( 169) = ( 0.1500000 0.3330709 0.6180819), wk = 0.0018904 k( 170) = ( 0.1444444 0.3394180 0.6101612), wk = 0.0018904 k( 171) = ( 0.1388889 0.3457651 0.6022405), wk = 0.0018904 k( 172) = ( 0.1333333 0.3521121 0.5943199), wk = 0.0018904 k( 173) = ( 0.1277778 0.3584592 0.5863992), wk = 0.0018904 k( 174) = ( 0.1222222 0.3648063 0.5784785), wk = 0.0018904 k( 175) = ( 0.1166667 0.3711533 0.5705578), wk = 0.0018904 k( 176) = ( 0.1111111 0.3775004 0.5626371), wk = 0.0018904 k( 177) = ( 0.1055556 0.3838475 0.5547164), wk = 0.0018904 k( 178) = ( 0.1000000 0.3901945 0.5467958), wk = 0.0018904 k( 179) = ( 0.0944444 0.3965416 0.5388751), wk = 0.0018904 k( 180) = ( 0.0888889 0.4028887 0.5309544), wk = 0.0018904 k( 181) = ( 0.0833333 0.4092357 0.5230337), wk = 0.0018904 k( 182) = ( 0.0777778 0.4155828 0.5151130), wk = 0.0018904 k( 183) = ( 0.0722222 0.4219299 0.5071923), wk = 0.0018904 k( 184) = ( 0.0666667 0.4282769 0.4992716), wk = 0.0018904 k( 185) = ( 0.0611111 0.4346240 0.4913510), wk = 0.0018904 k( 186) = ( 0.0555556 0.4409711 0.4834303), wk = 0.0018904 k( 187) = ( 0.0500000 0.4473181 0.4755096), wk = 0.0018904 k( 188) = ( 0.0444444 0.4536652 0.4675889), wk = 0.0018904 k( 189) = ( 0.0388889 0.4600123 0.4596682), wk = 0.0018904 k( 190) = ( 0.0333333 0.4663594 0.4517475), wk = 0.0018904 k( 191) = ( 0.0277778 0.4727064 0.4438269), wk = 0.0018904 k( 192) = ( 0.0222222 0.4790535 0.4359062), wk = 0.0018904 k( 193) = ( 0.0166667 0.4854006 0.4279855), wk = 0.0018904 k( 194) = ( 0.0111111 0.4917476 0.4200648), wk = 0.0018904 k( 195) = ( 0.0055556 0.4980947 0.4121441), wk = 0.0018904 k( 196) = ( 0.0000000 0.5044418 0.4042234), wk = 0.0018904 k( 197) = ( 0.0000000 0.5044418 0.4042234), wk = 0.0018904 k( 198) = ( 0.0099927 0.5078619 0.3999553), wk = 0.0018904 k( 199) = ( 0.0199853 0.5112821 0.3956871), wk = 0.0018904 k( 200) = ( 0.0299780 0.5147023 0.3914190), wk = 0.0018904 k( 201) = ( 0.0399706 0.5181225 0.3871509), wk = 0.0018904 k( 202) = ( 0.0499633 0.5215427 0.3828827), wk = 0.0018904 k( 203) = ( 0.0599560 0.5249629 0.3786146), wk = 0.0018904 k( 204) = ( 0.0699486 0.5283831 0.3743464), wk = 0.0018904 k( 205) = ( 0.0799413 0.5318032 0.3700783), wk = 0.0018904 k( 206) = ( 0.0899339 0.5352234 0.3658101), wk = 0.0018904 k( 207) = ( 0.0999266 0.5386436 0.3615420), wk = 0.0018904 k( 208) = ( 0.1099193 0.5420638 0.3572738), wk = 0.0018904 k( 209) = ( 0.1199119 0.5454840 0.3530057), wk = 0.0018904 k( 210) = ( 0.1299046 0.5489042 0.3487375), wk = 0.0018904 k( 211) = ( 0.1398972 0.5523244 0.3444694), wk = 0.0018904 k( 212) = ( 0.1498899 0.5557445 0.3402013), wk = 0.0018904 k( 213) = ( 0.1598826 0.5591647 0.3359331), wk = 0.0018904 k( 214) = ( 0.1698752 0.5625849 0.3316650), wk = 0.0018904 k( 215) = ( 0.1798679 0.5660051 0.3273968), wk = 0.0018904 k( 216) = ( 0.1898605 0.5694253 0.3231287), wk = 0.0018904 k( 217) = ( 0.1998532 0.5728455 0.3188605), wk = 0.0018904 k( 218) = ( 0.2098459 0.5762657 0.3145924), wk = 0.0018904 k( 219) = ( 0.2198385 0.5796858 0.3103242), wk = 0.0018904 k( 220) = ( 0.2298312 0.5831060 0.3060561), wk = 0.0018904 k( 221) = ( 0.2398238 0.5865262 0.3017879), wk = 0.0018904 k( 222) = ( 0.2498165 0.5899464 0.2975198), wk = 0.0018904 k( 223) = ( 0.2598092 0.5933666 0.2932517), wk = 0.0018904 k( 224) = ( 0.2698018 0.5967868 0.2889835), wk = 0.0018904 k( 225) = ( 0.2797945 0.6002069 0.2847154), wk = 0.0018904 k( 226) = ( 0.2897871 0.6036271 0.2804472), wk = 0.0018904 k( 227) = ( 0.2997798 0.6070473 0.2761791), wk = 0.0018904 k( 228) = ( 0.3097725 0.6104675 0.2719109), wk = 0.0018904 k( 229) = ( 0.3197651 0.6138877 0.2676428), wk = 0.0018904 k( 230) = ( 0.3297578 0.6173079 0.2633746), wk = 0.0018904 k( 231) = ( 0.3397504 0.6207281 0.2591065), wk = 0.0018904 k( 232) = ( 0.3397504 0.6207281 0.2591065), wk = 0.0018904 k( 233) = ( 0.3449198 0.6148222 0.2507482), wk = 0.0018904 k( 234) = ( 0.3500891 0.6089164 0.2423899), wk = 0.0018904 k( 235) = ( 0.3552585 0.6030106 0.2340317), wk = 0.0018904 k( 236) = ( 0.3604278 0.5971047 0.2256734), wk = 0.0018904 k( 237) = ( 0.3655971 0.5911989 0.2173151), wk = 0.0018904 k( 238) = ( 0.3707665 0.5852931 0.2089569), wk = 0.0018904 k( 239) = ( 0.3759358 0.5793873 0.2005986), wk = 0.0018904 k( 240) = ( 0.3811052 0.5734814 0.1922403), wk = 0.0018904 k( 241) = ( 0.3862745 0.5675756 0.1838820), wk = 0.0018904 k( 242) = ( 0.3914438 0.5616698 0.1755238), wk = 0.0018904 k( 243) = ( 0.3966132 0.5557639 0.1671655), wk = 0.0018904 k( 244) = ( 0.4017825 0.5498581 0.1588072), wk = 0.0018904 k( 245) = ( 0.4069519 0.5439523 0.1504489), wk = 0.0018904 k( 246) = ( 0.4121212 0.5380465 0.1420907), wk = 0.0018904 k( 247) = ( 0.4172905 0.5321406 0.1337324), wk = 0.0018904 k( 248) = ( 0.4224599 0.5262348 0.1253741), wk = 0.0018904 k( 249) = ( 0.4276292 0.5203290 0.1170158), wk = 0.0018904 k( 250) = ( 0.4327986 0.5144232 0.1086576), wk = 0.0018904 k( 251) = ( 0.4379679 0.5085173 0.1002993), wk = 0.0018904 k( 252) = ( 0.4431372 0.5026115 0.0919410), wk = 0.0018904 k( 253) = ( 0.4483066 0.4967057 0.0835827), wk = 0.0018904 k( 254) = ( 0.4534759 0.4907998 0.0752245), wk = 0.0018904 k( 255) = ( 0.4586453 0.4848940 0.0668662), wk = 0.0018904 k( 256) = ( 0.4638146 0.4789882 0.0585079), wk = 0.0018904 k( 257) = ( 0.4689840 0.4730823 0.0501496), wk = 0.0018904 k( 258) = ( 0.4741533 0.4671765 0.0417914), wk = 0.0018904 k( 259) = ( 0.4793226 0.4612707 0.0334331), wk = 0.0018904 k( 260) = ( 0.4844920 0.4553649 0.0250748), wk = 0.0018904 k( 261) = ( 0.4896613 0.4494590 0.0167165), wk = 0.0018904 k( 262) = ( 0.4948307 0.4435532 0.0083583), wk = 0.0018904 k( 263) = ( 0.5000000 0.4376474 0.0000000), wk = 0.0018904 k( 264) = ( 0.5000000 0.4376474 0.0000000), wk = 0.0018904 k( 265) = ( 0.4912281 0.4299694 0.0000000), wk = 0.0018904 k( 266) = ( 0.4824561 0.4222913 0.0000000), wk = 0.0018904 k( 267) = ( 0.4736842 0.4146133 0.0000000), wk = 0.0018904 k( 268) = ( 0.4649123 0.4069353 0.0000000), wk = 0.0018904 k( 269) = ( 0.4561404 0.3992573 0.0000000), wk = 0.0018904 k( 270) = ( 0.4473684 0.3915792 0.0000000), wk = 0.0018904 k( 271) = ( 0.4385965 0.3839012 0.0000000), wk = 0.0018904 k( 272) = ( 0.4298246 0.3762232 0.0000000), wk = 0.0018904 k( 273) = ( 0.4210526 0.3685452 0.0000000), wk = 0.0018904 k( 274) = ( 0.4122807 0.3608671 0.0000000), wk = 0.0018904 k( 275) = ( 0.4035088 0.3531891 0.0000000), wk = 0.0018904 k( 276) = ( 0.3947368 0.3455111 0.0000000), wk = 0.0018904 k( 277) = ( 0.3859649 0.3378331 0.0000000), wk = 0.0018904 k( 278) = ( 0.3771930 0.3301550 0.0000000), wk = 0.0018904 k( 279) = ( 0.3684211 0.3224770 0.0000000), wk = 0.0018904 k( 280) = ( 0.3596491 0.3147990 0.0000000), wk = 0.0018904 k( 281) = ( 0.3508772 0.3071210 0.0000000), wk = 0.0018904 k( 282) = ( 0.3421053 0.2994429 0.0000000), wk = 0.0018904 k( 283) = ( 0.3333333 0.2917649 0.0000000), wk = 0.0018904 k( 284) = ( 0.3245614 0.2840869 0.0000000), wk = 0.0018904 k( 285) = ( 0.3157895 0.2764089 0.0000000), wk = 0.0018904 k( 286) = ( 0.3070175 0.2687308 0.0000000), wk = 0.0018904 k( 287) = ( 0.2982456 0.2610528 0.0000000), wk = 0.0018904 k( 288) = ( 0.2894737 0.2533748 0.0000000), wk = 0.0018904 k( 289) = ( 0.2807018 0.2456968 0.0000000), wk = 0.0018904 k( 290) = ( 0.2719298 0.2380187 0.0000000), wk = 0.0018904 k( 291) = ( 0.2631579 0.2303407 0.0000000), wk = 0.0018904 k( 292) = ( 0.2543860 0.2226627 0.0000000), wk = 0.0018904 k( 293) = ( 0.2456140 0.2149847 0.0000000), wk = 0.0018904 k( 294) = ( 0.2368421 0.2073067 0.0000000), wk = 0.0018904 k( 295) = ( 0.2280702 0.1996286 0.0000000), wk = 0.0018904 k( 296) = ( 0.2192983 0.1919506 0.0000000), wk = 0.0018904 k( 297) = ( 0.2105263 0.1842726 0.0000000), wk = 0.0018904 k( 298) = ( 0.2017544 0.1765946 0.0000000), wk = 0.0018904 k( 299) = ( 0.1929825 0.1689165 0.0000000), wk = 0.0018904 k( 300) = ( 0.1842105 0.1612385 0.0000000), wk = 0.0018904 k( 301) = ( 0.1754386 0.1535605 0.0000000), wk = 0.0018904 k( 302) = ( 0.1666667 0.1458825 0.0000000), wk = 0.0018904 k( 303) = ( 0.1578947 0.1382044 0.0000000), wk = 0.0018904 k( 304) = ( 0.1491228 0.1305264 0.0000000), wk = 0.0018904 k( 305) = ( 0.1403509 0.1228484 0.0000000), wk = 0.0018904 k( 306) = ( 0.1315790 0.1151704 0.0000000), wk = 0.0018904 k( 307) = ( 0.1228070 0.1074923 0.0000000), wk = 0.0018904 k( 308) = ( 0.1140351 0.0998143 0.0000000), wk = 0.0018904 k( 309) = ( 0.1052632 0.0921363 0.0000000), wk = 0.0018904 k( 310) = ( 0.0964912 0.0844583 0.0000000), wk = 0.0018904 k( 311) = ( 0.0877193 0.0767802 0.0000000), wk = 0.0018904 k( 312) = ( 0.0789474 0.0691022 0.0000000), wk = 0.0018904 k( 313) = ( 0.0701754 0.0614242 0.0000000), wk = 0.0018904 k( 314) = ( 0.0614035 0.0537462 0.0000000), wk = 0.0018904 k( 315) = ( 0.0526316 0.0460681 0.0000000), wk = 0.0018904 k( 316) = ( 0.0438597 0.0383901 0.0000000), wk = 0.0018904 k( 317) = ( 0.0350877 0.0307121 0.0000000), wk = 0.0018904 k( 318) = ( 0.0263158 0.0230341 0.0000000), wk = 0.0018904 k( 319) = ( 0.0175439 0.0153560 0.0000000), wk = 0.0018904 k( 320) = ( 0.0087719 0.0076780 0.0000000), wk = 0.0018904 k( 321) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018904 k( 322) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018904 k( 323) = ( 0.0055839 -0.0063794 0.0079611), wk = 0.0018904 k( 324) = ( 0.0111678 -0.0127589 0.0159221), wk = 0.0018904 k( 325) = ( 0.0167517 -0.0191383 0.0238832), wk = 0.0018904 k( 326) = ( 0.0223355 -0.0255177 0.0318443), wk = 0.0018904 k( 327) = ( 0.0279194 -0.0318972 0.0398054), wk = 0.0018904 k( 328) = ( 0.0335033 -0.0382766 0.0477664), wk = 0.0018904 k( 329) = ( 0.0390872 -0.0446560 0.0557275), wk = 0.0018904 k( 330) = ( 0.0446711 -0.0510355 0.0636886), wk = 0.0018904 k( 331) = ( 0.0502550 -0.0574149 0.0716497), wk = 0.0018904 k( 332) = ( 0.0558389 -0.0637943 0.0796107), wk = 0.0018904 k( 333) = ( 0.0614227 -0.0701738 0.0875718), wk = 0.0018904 k( 334) = ( 0.0670066 -0.0765532 0.0955329), wk = 0.0018904 k( 335) = ( 0.0725905 -0.0829326 0.1034940), wk = 0.0018904 k( 336) = ( 0.0781744 -0.0893121 0.1114551), wk = 0.0018904 k( 337) = ( 0.0837583 -0.0956915 0.1194161), wk = 0.0018904 k( 338) = ( 0.0893422 -0.1020710 0.1273772), wk = 0.0018904 k( 339) = ( 0.0949260 -0.1084504 0.1353383), wk = 0.0018904 k( 340) = ( 0.1005099 -0.1148298 0.1432994), wk = 0.0018904 k( 341) = ( 0.1060938 -0.1212092 0.1512604), wk = 0.0018904 k( 342) = ( 0.1116777 -0.1275887 0.1592215), wk = 0.0018904 k( 343) = ( 0.1172616 -0.1339681 0.1671826), wk = 0.0018904 k( 344) = ( 0.1228455 -0.1403476 0.1751437), wk = 0.0018904 k( 345) = ( 0.1284294 -0.1467270 0.1831047), wk = 0.0018904 k( 346) = ( 0.1340133 -0.1531064 0.1910658), wk = 0.0018904 k( 347) = ( 0.1395971 -0.1594859 0.1990269), wk = 0.0018904 k( 348) = ( 0.1451810 -0.1658653 0.2069880), wk = 0.0018904 k( 349) = ( 0.1507649 -0.1722447 0.2149490), wk = 0.0018904 k( 350) = ( 0.1563488 -0.1786242 0.2229101), wk = 0.0018904 k( 351) = ( 0.1619327 -0.1850036 0.2308712), wk = 0.0018904 k( 352) = ( 0.1675166 -0.1913830 0.2388322), wk = 0.0018904 k( 353) = ( 0.1731004 -0.1977625 0.2467933), wk = 0.0018904 k( 354) = ( 0.1786843 -0.2041419 0.2547544), wk = 0.0018904 k( 355) = ( 0.1842682 -0.2105213 0.2627155), wk = 0.0018904 k( 356) = ( 0.1898521 -0.2169008 0.2706766), wk = 0.0018904 k( 357) = ( 0.1954360 -0.2232802 0.2786376), wk = 0.0018904 k( 358) = ( 0.2010199 -0.2296596 0.2865987), wk = 0.0018904 k( 359) = ( 0.2066038 -0.2360391 0.2945598), wk = 0.0018904 k( 360) = ( 0.2121877 -0.2424185 0.3025209), wk = 0.0018904 k( 361) = ( 0.2177715 -0.2487979 0.3104819), wk = 0.0018904 k( 362) = ( 0.2233554 -0.2551774 0.3184430), wk = 0.0018904 k( 363) = ( 0.2289393 -0.2615568 0.3264041), wk = 0.0018904 k( 364) = ( 0.2345232 -0.2679362 0.3343652), wk = 0.0018904 k( 365) = ( 0.2401071 -0.2743157 0.3423262), wk = 0.0018904 k( 366) = ( 0.2456910 -0.2806951 0.3502873), wk = 0.0018904 k( 367) = ( 0.2512748 -0.2870746 0.3582484), wk = 0.0018904 k( 368) = ( 0.2568587 -0.2934540 0.3662095), wk = 0.0018904 k( 369) = ( 0.2624426 -0.2998334 0.3741705), wk = 0.0018904 k( 370) = ( 0.2680265 -0.3062128 0.3821316), wk = 0.0018904 k( 371) = ( 0.2736104 -0.3125923 0.3900927), wk = 0.0018904 k( 372) = ( 0.2791943 -0.3189717 0.3980538), wk = 0.0018904 k( 373) = ( 0.2847782 -0.3253512 0.4060148), wk = 0.0018904 k( 374) = ( 0.2903620 -0.3317306 0.4139759), wk = 0.0018904 k( 375) = ( 0.2959459 -0.3381100 0.4219370), wk = 0.0018904 k( 376) = ( 0.3015298 -0.3444895 0.4298981), wk = 0.0018904 k( 377) = ( 0.3071137 -0.3508689 0.4378591), wk = 0.0018904 k( 378) = ( 0.3126976 -0.3572483 0.4458202), wk = 0.0018904 k( 379) = ( 0.3182815 -0.3636278 0.4537813), wk = 0.0018904 k( 380) = ( 0.3238654 -0.3700072 0.4617424), wk = 0.0018904 k( 381) = ( 0.3294492 -0.3763866 0.4697034), wk = 0.0018904 k( 382) = ( 0.3350331 -0.3827661 0.4776645), wk = 0.0018904 k( 383) = ( 0.3406170 -0.3891455 0.4856256), wk = 0.0018904 k( 384) = ( 0.3462009 -0.3955249 0.4935867), wk = 0.0018904 k( 385) = ( 0.3517848 -0.4019044 0.5015477), wk = 0.0018904 k( 386) = ( 0.3517848 -0.4019044 0.5015477), wk = 0.0018904 k( 387) = ( 0.3561441 -0.3920482 0.4972796), wk = 0.0018904 k( 388) = ( 0.3605033 -0.3821920 0.4930114), wk = 0.0018904 k( 389) = ( 0.3648626 -0.3723358 0.4887433), wk = 0.0018904 k( 390) = ( 0.3692219 -0.3624797 0.4844752), wk = 0.0018904 k( 391) = ( 0.3735811 -0.3526235 0.4802070), wk = 0.0018904 k( 392) = ( 0.3779404 -0.3427673 0.4759389), wk = 0.0018904 k( 393) = ( 0.3822997 -0.3329111 0.4716707), wk = 0.0018904 k( 394) = ( 0.3866590 -0.3230550 0.4674026), wk = 0.0018904 k( 395) = ( 0.3910182 -0.3131988 0.4631344), wk = 0.0018904 k( 396) = ( 0.3953775 -0.3033426 0.4588663), wk = 0.0018904 k( 397) = ( 0.3997368 -0.2934864 0.4545981), wk = 0.0018904 k( 398) = ( 0.4040960 -0.2836303 0.4503300), wk = 0.0018904 k( 399) = ( 0.4084553 -0.2737741 0.4460619), wk = 0.0018904 k( 400) = ( 0.4128146 -0.2639179 0.4417937), wk = 0.0018904 k( 401) = ( 0.4171739 -0.2540617 0.4375256), wk = 0.0018904 k( 402) = ( 0.4215331 -0.2442055 0.4332574), wk = 0.0018904 k( 403) = ( 0.4258924 -0.2343494 0.4289893), wk = 0.0018904 k( 404) = ( 0.4302517 -0.2244932 0.4247211), wk = 0.0018904 k( 405) = ( 0.4346109 -0.2146370 0.4204530), wk = 0.0018904 k( 406) = ( 0.4389702 -0.2047808 0.4161848), wk = 0.0018904 k( 407) = ( 0.4433295 -0.1949247 0.4119167), wk = 0.0018904 k( 408) = ( 0.4476888 -0.1850685 0.4076485), wk = 0.0018904 k( 409) = ( 0.4520480 -0.1752123 0.4033804), wk = 0.0018904 k( 410) = ( 0.4564073 -0.1653561 0.3991123), wk = 0.0018904 k( 411) = ( 0.4607666 -0.1555000 0.3948441), wk = 0.0018904 k( 412) = ( 0.4651258 -0.1456438 0.3905760), wk = 0.0018904 k( 413) = ( 0.4694851 -0.1357876 0.3863078), wk = 0.0018904 k( 414) = ( 0.4738444 -0.1259314 0.3820397), wk = 0.0018904 k( 415) = ( 0.4782036 -0.1160753 0.3777715), wk = 0.0018904 k( 416) = ( 0.4825629 -0.1062191 0.3735034), wk = 0.0018904 k( 417) = ( 0.4869222 -0.0963629 0.3692352), wk = 0.0018904 k( 418) = ( 0.4912815 -0.0865067 0.3649671), wk = 0.0018904 k( 419) = ( 0.4956407 -0.0766506 0.3606989), wk = 0.0018904 k( 420) = ( 0.5000000 -0.0667944 0.3564308), wk = 0.0018904 k( 421) = ( 0.5000000 -0.0667944 0.3564308), wk = 0.0018904 k( 422) = ( 0.4947917 -0.0608440 0.3648521), wk = 0.0018904 k( 423) = ( 0.4895833 -0.0548936 0.3732735), wk = 0.0018904 k( 424) = ( 0.4843750 -0.0489433 0.3816948), wk = 0.0018904 k( 425) = ( 0.4791667 -0.0429929 0.3901161), wk = 0.0018904 k( 426) = ( 0.4739583 -0.0370425 0.3985374), wk = 0.0018904 k( 427) = ( 0.4687500 -0.0310921 0.4069587), wk = 0.0018904 k( 428) = ( 0.4635417 -0.0251417 0.4153800), wk = 0.0018904 k( 429) = ( 0.4583333 -0.0191914 0.4238014), wk = 0.0018904 k( 430) = ( 0.4531250 -0.0132410 0.4322227), wk = 0.0018904 k( 431) = ( 0.4479167 -0.0072906 0.4406440), wk = 0.0018904 k( 432) = ( 0.4427083 -0.0013402 0.4490653), wk = 0.0018904 k( 433) = ( 0.4375000 0.0046101 0.4574867), wk = 0.0018904 k( 434) = ( 0.4322917 0.0105605 0.4659080), wk = 0.0018904 k( 435) = ( 0.4270833 0.0165109 0.4743293), wk = 0.0018904 k( 436) = ( 0.4218750 0.0224613 0.4827506), wk = 0.0018904 k( 437) = ( 0.4166667 0.0284116 0.4911719), wk = 0.0018904 k( 438) = ( 0.4114583 0.0343620 0.4995933), wk = 0.0018904 k( 439) = ( 0.4062500 0.0403124 0.5080146), wk = 0.0018904 k( 440) = ( 0.4010417 0.0462628 0.5164359), wk = 0.0018904 k( 441) = ( 0.3958333 0.0522132 0.5248572), wk = 0.0018904 k( 442) = ( 0.3906250 0.0581635 0.5332786), wk = 0.0018904 k( 443) = ( 0.3854167 0.0641139 0.5416999), wk = 0.0018904 k( 444) = ( 0.3802083 0.0700643 0.5501212), wk = 0.0018904 k( 445) = ( 0.3750000 0.0760147 0.5585425), wk = 0.0018904 k( 446) = ( 0.3697917 0.0819650 0.5669638), wk = 0.0018904 k( 447) = ( 0.3645833 0.0879154 0.5753852), wk = 0.0018904 k( 448) = ( 0.3593750 0.0938658 0.5838065), wk = 0.0018904 k( 449) = ( 0.3541667 0.0998162 0.5922278), wk = 0.0018904 k( 450) = ( 0.3489583 0.1057665 0.6006491), wk = 0.0018904 k( 451) = ( 0.3437500 0.1117169 0.6090704), wk = 0.0018904 k( 452) = ( 0.3385417 0.1176673 0.6174918), wk = 0.0018904 k( 453) = ( 0.3333333 0.1236177 0.6259131), wk = 0.0018904 k( 454) = ( 0.3281250 0.1295680 0.6343344), wk = 0.0018904 k( 455) = ( 0.3229167 0.1355184 0.6427557), wk = 0.0018904 k( 456) = ( 0.3177083 0.1414688 0.6511771), wk = 0.0018904 k( 457) = ( 0.3125000 0.1474192 0.6595984), wk = 0.0018904 k( 458) = ( 0.3072917 0.1533695 0.6680197), wk = 0.0018904 k( 459) = ( 0.3020833 0.1593199 0.6764410), wk = 0.0018904 k( 460) = ( 0.2968750 0.1652703 0.6848623), wk = 0.0018904 k( 461) = ( 0.2916667 0.1712207 0.6932837), wk = 0.0018904 k( 462) = ( 0.2864583 0.1771711 0.7017050), wk = 0.0018904 k( 463) = ( 0.2812500 0.1831214 0.7101263), wk = 0.0018904 k( 464) = ( 0.2760417 0.1890718 0.7185476), wk = 0.0018904 k( 465) = ( 0.2708333 0.1950222 0.7269690), wk = 0.0018904 k( 466) = ( 0.2656250 0.2009726 0.7353903), wk = 0.0018904 k( 467) = ( 0.2604167 0.2069229 0.7438116), wk = 0.0018904 k( 468) = ( 0.2552083 0.2128733 0.7522329), wk = 0.0018904 k( 469) = ( 0.2500000 0.2188237 0.7606542), wk = 0.0018904 k( 470) = ( 0.1915352 -0.2188237 0.7606542), wk = 0.0018904 k( 471) = ( 0.1967046 -0.2247295 0.7522960), wk = 0.0018904 k( 472) = ( 0.2018739 -0.2306353 0.7439377), wk = 0.0018904 k( 473) = ( 0.2070433 -0.2365412 0.7355794), wk = 0.0018904 k( 474) = ( 0.2122126 -0.2424470 0.7272211), wk = 0.0018904 k( 475) = ( 0.2173819 -0.2483528 0.7188629), wk = 0.0018904 k( 476) = ( 0.2225513 -0.2542587 0.7105046), wk = 0.0018904 k( 477) = ( 0.2277206 -0.2601645 0.7021463), wk = 0.0018904 k( 478) = ( 0.2328900 -0.2660703 0.6937880), wk = 0.0018904 k( 479) = ( 0.2380593 -0.2719761 0.6854298), wk = 0.0018904 k( 480) = ( 0.2432286 -0.2778820 0.6770715), wk = 0.0018904 k( 481) = ( 0.2483980 -0.2837878 0.6687132), wk = 0.0018904 k( 482) = ( 0.2535673 -0.2896936 0.6603549), wk = 0.0018904 k( 483) = ( 0.2587367 -0.2955995 0.6519967), wk = 0.0018904 k( 484) = ( 0.2639060 -0.3015053 0.6436384), wk = 0.0018904 k( 485) = ( 0.2690753 -0.3074111 0.6352801), wk = 0.0018904 k( 486) = ( 0.2742447 -0.3133169 0.6269218), wk = 0.0018904 k( 487) = ( 0.2794140 -0.3192228 0.6185636), wk = 0.0018904 k( 488) = ( 0.2845834 -0.3251286 0.6102053), wk = 0.0018904 k( 489) = ( 0.2897527 -0.3310344 0.6018470), wk = 0.0018904 k( 490) = ( 0.2949220 -0.3369403 0.5934887), wk = 0.0018904 k( 491) = ( 0.3000914 -0.3428461 0.5851305), wk = 0.0018904 k( 492) = ( 0.3052607 -0.3487519 0.5767722), wk = 0.0018904 k( 493) = ( 0.3104301 -0.3546577 0.5684139), wk = 0.0018904 k( 494) = ( 0.3155994 -0.3605636 0.5600557), wk = 0.0018904 k( 495) = ( 0.3207687 -0.3664694 0.5516974), wk = 0.0018904 k( 496) = ( 0.3259381 -0.3723752 0.5433391), wk = 0.0018904 k( 497) = ( 0.3311074 -0.3782810 0.5349808), wk = 0.0018904 k( 498) = ( 0.3362768 -0.3841869 0.5266226), wk = 0.0018904 k( 499) = ( 0.3414461 -0.3900927 0.5182643), wk = 0.0018904 k( 500) = ( 0.3466154 -0.3959985 0.5099060), wk = 0.0018904 k( 501) = ( 0.3517848 -0.4019044 0.5015477), wk = 0.0018904 k( 502) = ( 0.6482152 0.2683156 0.2113139), wk = 0.0018904 k( 503) = ( 0.6427258 0.2745872 0.2034874), wk = 0.0018904 k( 504) = ( 0.6372363 0.2808587 0.1956610), wk = 0.0018904 k( 505) = ( 0.6317469 0.2871302 0.1878346), wk = 0.0018904 k( 506) = ( 0.6262574 0.2934018 0.1800081), wk = 0.0018904 k( 507) = ( 0.6207679 0.2996733 0.1721817), wk = 0.0018904 k( 508) = ( 0.6152785 0.3059449 0.1643552), wk = 0.0018904 k( 509) = ( 0.6097891 0.3122164 0.1565288), wk = 0.0018904 k( 510) = ( 0.6042996 0.3184880 0.1487024), wk = 0.0018904 k( 511) = ( 0.5988101 0.3247595 0.1408759), wk = 0.0018904 k( 512) = ( 0.5933207 0.3310311 0.1330495), wk = 0.0018904 k( 513) = ( 0.5878312 0.3373026 0.1252230), wk = 0.0018904 k( 514) = ( 0.5823418 0.3435742 0.1173966), wk = 0.0018904 k( 515) = ( 0.5768523 0.3498457 0.1095702), wk = 0.0018904 k( 516) = ( 0.5713629 0.3561173 0.1017437), wk = 0.0018904 k( 517) = ( 0.5658734 0.3623888 0.0939173), wk = 0.0018904 k( 518) = ( 0.5603840 0.3686604 0.0860908), wk = 0.0018904 k( 519) = ( 0.5548945 0.3749319 0.0782644), wk = 0.0018904 k( 520) = ( 0.5494051 0.3812035 0.0704380), wk = 0.0018904 k( 521) = ( 0.5439156 0.3874750 0.0626115), wk = 0.0018904 k( 522) = ( 0.5384262 0.3937465 0.0547851), wk = 0.0018904 k( 523) = ( 0.5329367 0.4000181 0.0469586), wk = 0.0018904 k( 524) = ( 0.5274473 0.4062896 0.0391322), wk = 0.0018904 k( 525) = ( 0.5219578 0.4125612 0.0313058), wk = 0.0018904 k( 526) = ( 0.5164684 0.4188327 0.0234793), wk = 0.0018904 k( 527) = ( 0.5109789 0.4251043 0.0156529), wk = 0.0018904 k( 528) = ( 0.5054895 0.4313758 0.0078264), wk = 0.0018904 k( 529) = ( 0.5000000 0.4376474 0.0000000), wk = 0.0018904 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018904 k( 2) = ( -0.0052269 0.0052269 0.0052269), wk = 0.0018904 k( 3) = ( -0.0104539 0.0104539 0.0104539), wk = 0.0018904 k( 4) = ( -0.0156808 0.0156808 0.0156808), wk = 0.0018904 k( 5) = ( -0.0209077 0.0209077 0.0209077), wk = 0.0018904 k( 6) = ( -0.0261346 0.0261346 0.0261346), wk = 0.0018904 k( 7) = ( -0.0313616 0.0313616 0.0313616), wk = 0.0018904 k( 8) = ( -0.0365885 0.0365885 0.0365885), wk = 0.0018904 k( 9) = ( -0.0418154 0.0418154 0.0418154), wk = 0.0018904 k( 10) = ( -0.0470424 0.0470424 0.0470424), wk = 0.0018904 k( 11) = ( -0.0522693 0.0522693 0.0522693), wk = 0.0018904 k( 12) = ( -0.0574962 0.0574962 0.0574962), wk = 0.0018904 k( 13) = ( -0.0627232 0.0627232 0.0627232), wk = 0.0018904 k( 14) = ( -0.0679501 0.0679501 0.0679501), wk = 0.0018904 k( 15) = ( -0.0731770 0.0731770 0.0731770), wk = 0.0018904 k( 16) = ( -0.0784040 0.0784040 0.0784040), wk = 0.0018904 k( 17) = ( -0.0836309 0.0836309 0.0836309), wk = 0.0018904 k( 18) = ( -0.0888578 0.0888578 0.0888578), wk = 0.0018904 k( 19) = ( -0.0940847 0.0940847 0.0940847), wk = 0.0018904 k( 20) = ( -0.0993117 0.0993117 0.0993117), wk = 0.0018904 k( 21) = ( -0.1045386 0.1045386 0.1045386), wk = 0.0018904 k( 22) = ( -0.1097655 0.1097655 0.1097655), wk = 0.0018904 k( 23) = ( -0.1149925 0.1149925 0.1149925), wk = 0.0018904 k( 24) = ( -0.1202194 0.1202194 0.1202194), wk = 0.0018904 k( 25) = ( -0.1254463 0.1254463 0.1254463), wk = 0.0018904 k( 26) = ( -0.1306732 0.1306733 0.1306732), wk = 0.0018904 k( 27) = ( -0.1359002 0.1359002 0.1359002), wk = 0.0018904 k( 28) = ( -0.1411271 0.1411271 0.1411271), wk = 0.0018904 k( 29) = ( -0.1463540 0.1463540 0.1463540), wk = 0.0018904 k( 30) = ( -0.1515810 0.1515810 0.1515810), wk = 0.0018904 k( 31) = ( -0.1568079 0.1568079 0.1568079), wk = 0.0018904 k( 32) = ( -0.1620348 0.1620348 0.1620348), wk = 0.0018904 k( 33) = ( -0.1672618 0.1672618 0.1672618), wk = 0.0018904 k( 34) = ( -0.1724887 0.1724887 0.1724887), wk = 0.0018904 k( 35) = ( -0.1777156 0.1777156 0.1777156), wk = 0.0018904 k( 36) = ( -0.1829426 0.1829426 0.1829425), wk = 0.0018904 k( 37) = ( -0.1881695 0.1881695 0.1881695), wk = 0.0018904 k( 38) = ( -0.1933964 0.1933964 0.1933964), wk = 0.0018904 k( 39) = ( -0.1986233 0.1986233 0.1986233), wk = 0.0018904 k( 40) = ( -0.2038503 0.2038503 0.2038503), wk = 0.0018904 k( 41) = ( -0.2090772 0.2090772 0.2090772), wk = 0.0018904 k( 42) = ( -0.2143041 0.2143041 0.2143041), wk = 0.0018904 k( 43) = ( -0.2195311 0.2195311 0.2195311), wk = 0.0018904 k( 44) = ( -0.2247580 0.2247580 0.2247580), wk = 0.0018904 k( 45) = ( -0.2299849 0.2299849 0.2299849), wk = 0.0018904 k( 46) = ( -0.2352119 0.2352119 0.2352119), wk = 0.0018904 k( 47) = ( -0.2404388 0.2404388 0.2404388), wk = 0.0018904 k( 48) = ( -0.2456657 0.2456657 0.2456657), wk = 0.0018904 k( 49) = ( -0.2508926 0.2508926 0.2508926), wk = 0.0018904 k( 50) = ( -0.2561196 0.2561196 0.2561196), wk = 0.0018904 k( 51) = ( -0.2613465 0.2613465 0.2613465), wk = 0.0018904 k( 52) = ( -0.2665734 0.2665734 0.2665734), wk = 0.0018904 k( 53) = ( -0.2718004 0.2718004 0.2718004), wk = 0.0018904 k( 54) = ( -0.2770273 0.2770273 0.2770273), wk = 0.0018904 k( 55) = ( -0.2822542 0.2822542 0.2822542), wk = 0.0018904 k( 56) = ( -0.2874812 0.2874812 0.2874812), wk = 0.0018904 k( 57) = ( -0.2927081 0.2927081 0.2927081), wk = 0.0018904 k( 58) = ( -0.2979350 0.2979350 0.2979350), wk = 0.0018904 k( 59) = ( -0.3031619 0.3031619 0.3031619), wk = 0.0018904 k( 60) = ( -0.3083889 0.3083889 0.3083889), wk = 0.0018904 k( 61) = ( -0.3136158 0.3136158 0.3136158), wk = 0.0018904 k( 62) = ( -0.3188427 0.3188427 0.3188427), wk = 0.0018904 k( 63) = ( -0.3240696 0.3240696 0.3240696), wk = 0.0018904 k( 64) = ( -0.3292966 0.3292966 0.3292966), wk = 0.0018904 k( 65) = ( -0.3345235 0.3345235 0.3345235), wk = 0.0018904 k( 66) = ( -0.3397504 0.3397504 0.3397504), wk = 0.0018904 k( 67) = ( -0.3397504 0.3397504 0.3397504), wk = 0.0018904 k( 68) = ( -0.3342610 0.3342610 0.3452399), wk = 0.0018904 k( 69) = ( -0.3287715 0.3287715 0.3507293), wk = 0.0018904 k( 70) = ( -0.3232821 0.3232821 0.3562188), wk = 0.0018904 k( 71) = ( -0.3177926 0.3177926 0.3617082), wk = 0.0018904 k( 72) = ( -0.3123032 0.3123032 0.3671977), wk = 0.0018904 k( 73) = ( -0.3068137 0.3068137 0.3726872), wk = 0.0018904 k( 74) = ( -0.3013243 0.3013243 0.3781766), wk = 0.0018904 k( 75) = ( -0.2958348 0.2958348 0.3836661), wk = 0.0018904 k( 76) = ( -0.2903454 0.2903454 0.3891555), wk = 0.0018904 k( 77) = ( -0.2848559 0.2848559 0.3946450), wk = 0.0018904 k( 78) = ( -0.2793665 0.2793665 0.4001344), wk = 0.0018904 k( 79) = ( -0.2738770 0.2738770 0.4056239), wk = 0.0018904 k( 80) = ( -0.2683876 0.2683876 0.4111133), wk = 0.0018904 k( 81) = ( -0.2628981 0.2628981 0.4166028), wk = 0.0018904 k( 82) = ( -0.2574087 0.2574087 0.4220922), wk = 0.0018904 k( 83) = ( -0.2519192 0.2519192 0.4275817), wk = 0.0018904 k( 84) = ( -0.2464298 0.2464298 0.4330711), wk = 0.0018904 k( 85) = ( -0.2409403 0.2409403 0.4385606), wk = 0.0018904 k( 86) = ( -0.2354508 0.2354509 0.4440500), wk = 0.0018904 k( 87) = ( -0.2299614 0.2299614 0.4495395), wk = 0.0018904 k( 88) = ( -0.2244719 0.2244719 0.4550289), wk = 0.0018904 k( 89) = ( -0.2189825 0.2189825 0.4605184), wk = 0.0018904 k( 90) = ( -0.2134930 0.2134930 0.4660079), wk = 0.0018904 k( 91) = ( -0.2080036 0.2080036 0.4714973), wk = 0.0018904 k( 92) = ( -0.2025141 0.2025141 0.4769868), wk = 0.0018904 k( 93) = ( -0.1970247 0.1970247 0.4824762), wk = 0.0018904 k( 94) = ( -0.1915352 0.1915352 0.4879657), wk = 0.0018904 k( 95) = ( -0.1915352 0.1915352 0.4879657), wk = 0.0018904 k( 96) = ( -0.1838738 0.1838738 0.4884470), wk = 0.0018904 k( 97) = ( -0.1762124 0.1762124 0.4889284), wk = 0.0018904 k( 98) = ( -0.1685510 0.1685510 0.4894098), wk = 0.0018904 k( 99) = ( -0.1608896 0.1608896 0.4898911), wk = 0.0018904 k( 100) = ( -0.1532282 0.1532282 0.4903725), wk = 0.0018904 k( 101) = ( -0.1455668 0.1455668 0.4908539), wk = 0.0018904 k( 102) = ( -0.1379054 0.1379054 0.4913353), wk = 0.0018904 k( 103) = ( -0.1302440 0.1302440 0.4918166), wk = 0.0018904 k( 104) = ( -0.1225825 0.1225825 0.4922980), wk = 0.0018904 k( 105) = ( -0.1149211 0.1149211 0.4927794), wk = 0.0018904 k( 106) = ( -0.1072597 0.1072597 0.4932608), wk = 0.0018904 k( 107) = ( -0.0995983 0.0995983 0.4937421), wk = 0.0018904 k( 108) = ( -0.0919369 0.0919369 0.4942235), wk = 0.0018904 k( 109) = ( -0.0842755 0.0842755 0.4947049), wk = 0.0018904 k( 110) = ( -0.0766141 0.0766141 0.4951863), wk = 0.0018904 k( 111) = ( -0.0689527 0.0689527 0.4956676), wk = 0.0018904 k( 112) = ( -0.0612913 0.0612913 0.4961490), wk = 0.0018904 k( 113) = ( -0.0536299 0.0536299 0.4966304), wk = 0.0018904 k( 114) = ( -0.0459685 0.0459685 0.4971118), wk = 0.0018904 k( 115) = ( -0.0383071 0.0383071 0.4975931), wk = 0.0018904 k( 116) = ( -0.0306456 0.0306456 0.4980745), wk = 0.0018904 k( 117) = ( -0.0229842 0.0229842 0.4985559), wk = 0.0018904 k( 118) = ( -0.0153228 0.0153228 0.4990373), wk = 0.0018904 k( 119) = ( -0.0076614 0.0076614 0.4995186), wk = 0.0018904 k( 120) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018904 k( 121) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0018904 k( 122) = ( 0.0086207 0.0086207 0.4913793), wk = 0.0018904 k( 123) = ( 0.0172414 0.0172414 0.4827586), wk = 0.0018904 k( 124) = ( 0.0258621 0.0258621 0.4741379), wk = 0.0018904 k( 125) = ( 0.0344828 0.0344828 0.4655172), wk = 0.0018904 k( 126) = ( 0.0431035 0.0431035 0.4568965), wk = 0.0018904 k( 127) = ( 0.0517241 0.0517241 0.4482759), wk = 0.0018904 k( 128) = ( 0.0603448 0.0603448 0.4396552), wk = 0.0018904 k( 129) = ( 0.0689655 0.0689655 0.4310345), wk = 0.0018904 k( 130) = ( 0.0775862 0.0775862 0.4224138), wk = 0.0018904 k( 131) = ( 0.0862069 0.0862069 0.4137931), wk = 0.0018904 k( 132) = ( 0.0948276 0.0948276 0.4051724), wk = 0.0018904 k( 133) = ( 0.1034483 0.1034483 0.3965517), wk = 0.0018904 k( 134) = ( 0.1120690 0.1120690 0.3879310), wk = 0.0018904 k( 135) = ( 0.1206897 0.1206897 0.3793103), wk = 0.0018904 k( 136) = ( 0.1293103 0.1293103 0.3706897), wk = 0.0018904 k( 137) = ( 0.1379310 0.1379310 0.3620690), wk = 0.0018904 k( 138) = ( 0.1465517 0.1465517 0.3534483), wk = 0.0018904 k( 139) = ( 0.1551724 0.1551724 0.3448276), wk = 0.0018904 k( 140) = ( 0.1637931 0.1637931 0.3362069), wk = 0.0018904 k( 141) = ( 0.1724138 0.1724138 0.3275862), wk = 0.0018904 k( 142) = ( 0.1810345 0.1810345 0.3189655), wk = 0.0018904 k( 143) = ( 0.1896552 0.1896552 0.3103448), wk = 0.0018904 k( 144) = ( 0.1982759 0.1982759 0.3017241), wk = 0.0018904 k( 145) = ( 0.2068966 0.2068966 0.2931035), wk = 0.0018904 k( 146) = ( 0.2155172 0.2155172 0.2844828), wk = 0.0018904 k( 147) = ( 0.2241379 0.2241379 0.2758621), wk = 0.0018904 k( 148) = ( 0.2327586 0.2327586 0.2672414), wk = 0.0018904 k( 149) = ( 0.2413793 0.2413793 0.2586207), wk = 0.0018904 k( 150) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018904 k( 151) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018904 k( 152) = ( 0.2444444 0.2555556 0.2444444), wk = 0.0018904 k( 153) = ( 0.2388889 0.2611111 0.2388889), wk = 0.0018904 k( 154) = ( 0.2333333 0.2666667 0.2333333), wk = 0.0018904 k( 155) = ( 0.2277778 0.2722222 0.2277778), wk = 0.0018904 k( 156) = ( 0.2222222 0.2777778 0.2222222), wk = 0.0018904 k( 157) = ( 0.2166667 0.2833333 0.2166667), wk = 0.0018904 k( 158) = ( 0.2111111 0.2888889 0.2111111), wk = 0.0018904 k( 159) = ( 0.2055556 0.2944444 0.2055556), wk = 0.0018904 k( 160) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0018904 k( 161) = ( 0.1944444 0.3055556 0.1944444), wk = 0.0018904 k( 162) = ( 0.1888889 0.3111111 0.1888889), wk = 0.0018904 k( 163) = ( 0.1833333 0.3166667 0.1833333), wk = 0.0018904 k( 164) = ( 0.1777778 0.3222222 0.1777778), wk = 0.0018904 k( 165) = ( 0.1722222 0.3277778 0.1722222), wk = 0.0018904 k( 166) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0018904 k( 167) = ( 0.1611111 0.3388889 0.1611111), wk = 0.0018904 k( 168) = ( 0.1555556 0.3444444 0.1555556), wk = 0.0018904 k( 169) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0018904 k( 170) = ( 0.1444444 0.3555556 0.1444444), wk = 0.0018904 k( 171) = ( 0.1388889 0.3611111 0.1388889), wk = 0.0018904 k( 172) = ( 0.1333333 0.3666667 0.1333333), wk = 0.0018904 k( 173) = ( 0.1277778 0.3722222 0.1277778), wk = 0.0018904 k( 174) = ( 0.1222222 0.3777778 0.1222222), wk = 0.0018904 k( 175) = ( 0.1166667 0.3833333 0.1166667), wk = 0.0018904 k( 176) = ( 0.1111111 0.3888889 0.1111111), wk = 0.0018904 k( 177) = ( 0.1055556 0.3944444 0.1055556), wk = 0.0018904 k( 178) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0018904 k( 179) = ( 0.0944444 0.4055556 0.0944444), wk = 0.0018904 k( 180) = ( 0.0888889 0.4111111 0.0888889), wk = 0.0018904 k( 181) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0018904 k( 182) = ( 0.0777778 0.4222222 0.0777778), wk = 0.0018904 k( 183) = ( 0.0722222 0.4277778 0.0722222), wk = 0.0018904 k( 184) = ( 0.0666667 0.4333333 0.0666667), wk = 0.0018904 k( 185) = ( 0.0611111 0.4388889 0.0611111), wk = 0.0018904 k( 186) = ( 0.0555556 0.4444444 0.0555556), wk = 0.0018904 k( 187) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0018904 k( 188) = ( 0.0444444 0.4555556 0.0444444), wk = 0.0018904 k( 189) = ( 0.0388889 0.4611111 0.0388889), wk = 0.0018904 k( 190) = ( 0.0333333 0.4666667 0.0333333), wk = 0.0018904 k( 191) = ( 0.0277778 0.4722222 0.0277778), wk = 0.0018904 k( 192) = ( 0.0222222 0.4777778 0.0222222), wk = 0.0018904 k( 193) = ( 0.0166667 0.4833333 0.0166667), wk = 0.0018904 k( 194) = ( 0.0111111 0.4888889 0.0111111), wk = 0.0018904 k( 195) = ( 0.0055556 0.4944444 0.0055556), wk = 0.0018904 k( 196) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018904 k( 197) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0018904 k( 198) = ( 0.0099927 0.5047132 -0.0099927), wk = 0.0018904 k( 199) = ( 0.0199853 0.5094264 -0.0199853), wk = 0.0018904 k( 200) = ( 0.0299780 0.5141397 -0.0299780), wk = 0.0018904 k( 201) = ( 0.0399706 0.5188529 -0.0399706), wk = 0.0018904 k( 202) = ( 0.0499633 0.5235661 -0.0499633), wk = 0.0018904 k( 203) = ( 0.0599560 0.5282793 -0.0599560), wk = 0.0018904 k( 204) = ( 0.0699486 0.5329926 -0.0699486), wk = 0.0018904 k( 205) = ( 0.0799413 0.5377058 -0.0799413), wk = 0.0018904 k( 206) = ( 0.0899339 0.5424190 -0.0899339), wk = 0.0018904 k( 207) = ( 0.0999266 0.5471322 -0.0999266), wk = 0.0018904 k( 208) = ( 0.1099193 0.5518454 -0.1099193), wk = 0.0018904 k( 209) = ( 0.1199119 0.5565587 -0.1199119), wk = 0.0018904 k( 210) = ( 0.1299046 0.5612719 -0.1299046), wk = 0.0018904 k( 211) = ( 0.1398972 0.5659851 -0.1398972), wk = 0.0018904 k( 212) = ( 0.1498899 0.5706983 -0.1498899), wk = 0.0018904 k( 213) = ( 0.1598826 0.5754116 -0.1598826), wk = 0.0018904 k( 214) = ( 0.1698752 0.5801248 -0.1698752), wk = 0.0018904 k( 215) = ( 0.1798679 0.5848380 -0.1798679), wk = 0.0018904 k( 216) = ( 0.1898605 0.5895512 -0.1898605), wk = 0.0018904 k( 217) = ( 0.1998532 0.5942644 -0.1998532), wk = 0.0018904 k( 218) = ( 0.2098459 0.5989777 -0.2098459), wk = 0.0018904 k( 219) = ( 0.2198385 0.6036909 -0.2198385), wk = 0.0018904 k( 220) = ( 0.2298312 0.6084041 -0.2298312), wk = 0.0018904 k( 221) = ( 0.2398238 0.6131173 -0.2398238), wk = 0.0018904 k( 222) = ( 0.2498165 0.6178306 -0.2498165), wk = 0.0018904 k( 223) = ( 0.2598092 0.6225438 -0.2598092), wk = 0.0018904 k( 224) = ( 0.2698018 0.6272570 -0.2698018), wk = 0.0018904 k( 225) = ( 0.2797945 0.6319702 -0.2797945), wk = 0.0018904 k( 226) = ( 0.2897871 0.6366834 -0.2897871), wk = 0.0018904 k( 227) = ( 0.2997798 0.6413967 -0.2997798), wk = 0.0018904 k( 228) = ( 0.3097725 0.6461099 -0.3097725), wk = 0.0018904 k( 229) = ( 0.3197651 0.6508231 -0.3197651), wk = 0.0018904 k( 230) = ( 0.3297578 0.6555363 -0.3297578), wk = 0.0018904 k( 231) = ( 0.3397504 0.6602496 -0.3397504), wk = 0.0018904 k( 232) = ( 0.3397504 0.6602496 -0.3397504), wk = 0.0018904 k( 233) = ( 0.3449198 0.6550802 -0.3449198), wk = 0.0018904 k( 234) = ( 0.3500891 0.6499109 -0.3500891), wk = 0.0018904 k( 235) = ( 0.3552585 0.6447415 -0.3552585), wk = 0.0018904 k( 236) = ( 0.3604278 0.6395722 -0.3604278), wk = 0.0018904 k( 237) = ( 0.3655971 0.6344028 -0.3655971), wk = 0.0018904 k( 238) = ( 0.3707665 0.6292335 -0.3707665), wk = 0.0018904 k( 239) = ( 0.3759358 0.6240642 -0.3759358), wk = 0.0018904 k( 240) = ( 0.3811052 0.6188948 -0.3811052), wk = 0.0018904 k( 241) = ( 0.3862745 0.6137255 -0.3862745), wk = 0.0018904 k( 242) = ( 0.3914438 0.6085561 -0.3914438), wk = 0.0018904 k( 243) = ( 0.3966132 0.6033868 -0.3966132), wk = 0.0018904 k( 244) = ( 0.4017825 0.5982175 -0.4017825), wk = 0.0018904 k( 245) = ( 0.4069519 0.5930481 -0.4069519), wk = 0.0018904 k( 246) = ( 0.4121212 0.5878788 -0.4121212), wk = 0.0018904 k( 247) = ( 0.4172905 0.5827094 -0.4172906), wk = 0.0018904 k( 248) = ( 0.4224599 0.5775401 -0.4224599), wk = 0.0018904 k( 249) = ( 0.4276292 0.5723708 -0.4276292), wk = 0.0018904 k( 250) = ( 0.4327986 0.5672014 -0.4327986), wk = 0.0018904 k( 251) = ( 0.4379679 0.5620321 -0.4379679), wk = 0.0018904 k( 252) = ( 0.4431372 0.5568627 -0.4431373), wk = 0.0018904 k( 253) = ( 0.4483066 0.5516934 -0.4483066), wk = 0.0018904 k( 254) = ( 0.4534759 0.5465241 -0.4534759), wk = 0.0018904 k( 255) = ( 0.4586453 0.5413547 -0.4586453), wk = 0.0018904 k( 256) = ( 0.4638146 0.5361854 -0.4638146), wk = 0.0018904 k( 257) = ( 0.4689840 0.5310160 -0.4689840), wk = 0.0018904 k( 258) = ( 0.4741533 0.5258467 -0.4741533), wk = 0.0018904 k( 259) = ( 0.4793226 0.5206774 -0.4793226), wk = 0.0018904 k( 260) = ( 0.4844920 0.5155080 -0.4844920), wk = 0.0018904 k( 261) = ( 0.4896613 0.5103387 -0.4896613), wk = 0.0018904 k( 262) = ( 0.4948307 0.5051693 -0.4948307), wk = 0.0018904 k( 263) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018904 k( 264) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018904 k( 265) = ( 0.4912281 0.4912281 -0.4912281), wk = 0.0018904 k( 266) = ( 0.4824561 0.4824561 -0.4824561), wk = 0.0018904 k( 267) = ( 0.4736842 0.4736842 -0.4736842), wk = 0.0018904 k( 268) = ( 0.4649123 0.4649123 -0.4649123), wk = 0.0018904 k( 269) = ( 0.4561404 0.4561404 -0.4561404), wk = 0.0018904 k( 270) = ( 0.4473684 0.4473684 -0.4473684), wk = 0.0018904 k( 271) = ( 0.4385965 0.4385965 -0.4385965), wk = 0.0018904 k( 272) = ( 0.4298246 0.4298246 -0.4298246), wk = 0.0018904 k( 273) = ( 0.4210526 0.4210526 -0.4210526), wk = 0.0018904 k( 274) = ( 0.4122807 0.4122807 -0.4122807), wk = 0.0018904 k( 275) = ( 0.4035088 0.4035088 -0.4035088), wk = 0.0018904 k( 276) = ( 0.3947368 0.3947368 -0.3947368), wk = 0.0018904 k( 277) = ( 0.3859649 0.3859649 -0.3859649), wk = 0.0018904 k( 278) = ( 0.3771930 0.3771930 -0.3771930), wk = 0.0018904 k( 279) = ( 0.3684211 0.3684211 -0.3684211), wk = 0.0018904 k( 280) = ( 0.3596491 0.3596491 -0.3596491), wk = 0.0018904 k( 281) = ( 0.3508772 0.3508772 -0.3508772), wk = 0.0018904 k( 282) = ( 0.3421053 0.3421053 -0.3421053), wk = 0.0018904 k( 283) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0018904 k( 284) = ( 0.3245614 0.3245614 -0.3245614), wk = 0.0018904 k( 285) = ( 0.3157895 0.3157895 -0.3157895), wk = 0.0018904 k( 286) = ( 0.3070175 0.3070175 -0.3070175), wk = 0.0018904 k( 287) = ( 0.2982456 0.2982456 -0.2982456), wk = 0.0018904 k( 288) = ( 0.2894737 0.2894737 -0.2894737), wk = 0.0018904 k( 289) = ( 0.2807018 0.2807018 -0.2807018), wk = 0.0018904 k( 290) = ( 0.2719298 0.2719298 -0.2719298), wk = 0.0018904 k( 291) = ( 0.2631579 0.2631579 -0.2631579), wk = 0.0018904 k( 292) = ( 0.2543860 0.2543860 -0.2543860), wk = 0.0018904 k( 293) = ( 0.2456140 0.2456140 -0.2456140), wk = 0.0018904 k( 294) = ( 0.2368421 0.2368421 -0.2368421), wk = 0.0018904 k( 295) = ( 0.2280702 0.2280702 -0.2280702), wk = 0.0018904 k( 296) = ( 0.2192983 0.2192983 -0.2192983), wk = 0.0018904 k( 297) = ( 0.2105263 0.2105263 -0.2105263), wk = 0.0018904 k( 298) = ( 0.2017544 0.2017544 -0.2017544), wk = 0.0018904 k( 299) = ( 0.1929825 0.1929825 -0.1929825), wk = 0.0018904 k( 300) = ( 0.1842105 0.1842105 -0.1842105), wk = 0.0018904 k( 301) = ( 0.1754386 0.1754386 -0.1754386), wk = 0.0018904 k( 302) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0018904 k( 303) = ( 0.1578947 0.1578947 -0.1578947), wk = 0.0018904 k( 304) = ( 0.1491228 0.1491228 -0.1491228), wk = 0.0018904 k( 305) = ( 0.1403509 0.1403509 -0.1403509), wk = 0.0018904 k( 306) = ( 0.1315790 0.1315790 -0.1315790), wk = 0.0018904 k( 307) = ( 0.1228070 0.1228070 -0.1228070), wk = 0.0018904 k( 308) = ( 0.1140351 0.1140351 -0.1140351), wk = 0.0018904 k( 309) = ( 0.1052632 0.1052632 -0.1052632), wk = 0.0018904 k( 310) = ( 0.0964912 0.0964912 -0.0964912), wk = 0.0018904 k( 311) = ( 0.0877193 0.0877193 -0.0877193), wk = 0.0018904 k( 312) = ( 0.0789474 0.0789474 -0.0789474), wk = 0.0018904 k( 313) = ( 0.0701754 0.0701754 -0.0701754), wk = 0.0018904 k( 314) = ( 0.0614035 0.0614035 -0.0614035), wk = 0.0018904 k( 315) = ( 0.0526316 0.0526316 -0.0526316), wk = 0.0018904 k( 316) = ( 0.0438597 0.0438596 -0.0438597), wk = 0.0018904 k( 317) = ( 0.0350877 0.0350877 -0.0350877), wk = 0.0018904 k( 318) = ( 0.0263158 0.0263158 -0.0263158), wk = 0.0018904 k( 319) = ( 0.0175439 0.0175439 -0.0175439), wk = 0.0018904 k( 320) = ( 0.0087719 0.0087719 -0.0087719), wk = 0.0018904 k( 321) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018904 k( 322) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0018904 k( 323) = ( 0.0055839 -0.0055839 0.0055839), wk = 0.0018904 k( 324) = ( 0.0111678 -0.0111678 0.0111678), wk = 0.0018904 k( 325) = ( 0.0167517 -0.0167517 0.0167517), wk = 0.0018904 k( 326) = ( 0.0223355 -0.0223355 0.0223355), wk = 0.0018904 k( 327) = ( 0.0279194 -0.0279194 0.0279194), wk = 0.0018904 k( 328) = ( 0.0335033 -0.0335033 0.0335033), wk = 0.0018904 k( 329) = ( 0.0390872 -0.0390872 0.0390872), wk = 0.0018904 k( 330) = ( 0.0446711 -0.0446711 0.0446711), wk = 0.0018904 k( 331) = ( 0.0502550 -0.0502550 0.0502550), wk = 0.0018904 k( 332) = ( 0.0558389 -0.0558389 0.0558388), wk = 0.0018904 k( 333) = ( 0.0614227 -0.0614227 0.0614227), wk = 0.0018904 k( 334) = ( 0.0670066 -0.0670066 0.0670066), wk = 0.0018904 k( 335) = ( 0.0725905 -0.0725905 0.0725905), wk = 0.0018904 k( 336) = ( 0.0781744 -0.0781744 0.0781744), wk = 0.0018904 k( 337) = ( 0.0837583 -0.0837583 0.0837583), wk = 0.0018904 k( 338) = ( 0.0893422 -0.0893422 0.0893422), wk = 0.0018904 k( 339) = ( 0.0949260 -0.0949260 0.0949260), wk = 0.0018904 k( 340) = ( 0.1005099 -0.1005099 0.1005099), wk = 0.0018904 k( 341) = ( 0.1060938 -0.1060938 0.1060938), wk = 0.0018904 k( 342) = ( 0.1116777 -0.1116777 0.1116777), wk = 0.0018904 k( 343) = ( 0.1172616 -0.1172616 0.1172616), wk = 0.0018904 k( 344) = ( 0.1228455 -0.1228455 0.1228455), wk = 0.0018904 k( 345) = ( 0.1284294 -0.1284294 0.1284294), wk = 0.0018904 k( 346) = ( 0.1340133 -0.1340133 0.1340132), wk = 0.0018904 k( 347) = ( 0.1395971 -0.1395971 0.1395971), wk = 0.0018904 k( 348) = ( 0.1451810 -0.1451810 0.1451810), wk = 0.0018904 k( 349) = ( 0.1507649 -0.1507649 0.1507649), wk = 0.0018904 k( 350) = ( 0.1563488 -0.1563488 0.1563488), wk = 0.0018904 k( 351) = ( 0.1619327 -0.1619327 0.1619327), wk = 0.0018904 k( 352) = ( 0.1675166 -0.1675166 0.1675166), wk = 0.0018904 k( 353) = ( 0.1731004 -0.1731004 0.1731004), wk = 0.0018904 k( 354) = ( 0.1786843 -0.1786843 0.1786843), wk = 0.0018904 k( 355) = ( 0.1842682 -0.1842682 0.1842682), wk = 0.0018904 k( 356) = ( 0.1898521 -0.1898521 0.1898521), wk = 0.0018904 k( 357) = ( 0.1954360 -0.1954360 0.1954360), wk = 0.0018904 k( 358) = ( 0.2010199 -0.2010199 0.2010199), wk = 0.0018904 k( 359) = ( 0.2066038 -0.2066038 0.2066038), wk = 0.0018904 k( 360) = ( 0.2121877 -0.2121877 0.2121877), wk = 0.0018904 k( 361) = ( 0.2177715 -0.2177715 0.2177715), wk = 0.0018904 k( 362) = ( 0.2233554 -0.2233554 0.2233554), wk = 0.0018904 k( 363) = ( 0.2289393 -0.2289393 0.2289393), wk = 0.0018904 k( 364) = ( 0.2345232 -0.2345232 0.2345232), wk = 0.0018904 k( 365) = ( 0.2401071 -0.2401071 0.2401071), wk = 0.0018904 k( 366) = ( 0.2456910 -0.2456910 0.2456910), wk = 0.0018904 k( 367) = ( 0.2512748 -0.2512748 0.2512748), wk = 0.0018904 k( 368) = ( 0.2568587 -0.2568587 0.2568587), wk = 0.0018904 k( 369) = ( 0.2624426 -0.2624426 0.2624426), wk = 0.0018904 k( 370) = ( 0.2680265 -0.2680265 0.2680265), wk = 0.0018904 k( 371) = ( 0.2736104 -0.2736104 0.2736104), wk = 0.0018904 k( 372) = ( 0.2791943 -0.2791943 0.2791943), wk = 0.0018904 k( 373) = ( 0.2847782 -0.2847782 0.2847782), wk = 0.0018904 k( 374) = ( 0.2903620 -0.2903620 0.2903620), wk = 0.0018904 k( 375) = ( 0.2959459 -0.2959459 0.2959459), wk = 0.0018904 k( 376) = ( 0.3015298 -0.3015298 0.3015298), wk = 0.0018904 k( 377) = ( 0.3071137 -0.3071137 0.3071137), wk = 0.0018904 k( 378) = ( 0.3126976 -0.3126976 0.3126976), wk = 0.0018904 k( 379) = ( 0.3182815 -0.3182815 0.3182815), wk = 0.0018904 k( 380) = ( 0.3238654 -0.3238654 0.3238654), wk = 0.0018904 k( 381) = ( 0.3294492 -0.3294492 0.3294492), wk = 0.0018904 k( 382) = ( 0.3350331 -0.3350331 0.3350331), wk = 0.0018904 k( 383) = ( 0.3406170 -0.3406170 0.3406170), wk = 0.0018904 k( 384) = ( 0.3462009 -0.3462009 0.3462009), wk = 0.0018904 k( 385) = ( 0.3517848 -0.3517848 0.3517848), wk = 0.0018904 k( 386) = ( 0.3517848 -0.3517848 0.3517848), wk = 0.0018904 k( 387) = ( 0.3561441 -0.3414382 0.3414382), wk = 0.0018904 k( 388) = ( 0.3605033 -0.3310916 0.3310916), wk = 0.0018904 k( 389) = ( 0.3648626 -0.3207449 0.3207449), wk = 0.0018904 k( 390) = ( 0.3692219 -0.3103983 0.3103983), wk = 0.0018904 k( 391) = ( 0.3735811 -0.3000517 0.3000517), wk = 0.0018904 k( 392) = ( 0.3779404 -0.2897051 0.2897051), wk = 0.0018904 k( 393) = ( 0.3822997 -0.2793585 0.2793585), wk = 0.0018904 k( 394) = ( 0.3866590 -0.2690119 0.2690119), wk = 0.0018904 k( 395) = ( 0.3910182 -0.2586653 0.2586653), wk = 0.0018904 k( 396) = ( 0.3953775 -0.2483187 0.2483187), wk = 0.0018904 k( 397) = ( 0.3997368 -0.2379721 0.2379721), wk = 0.0018904 k( 398) = ( 0.4040960 -0.2276255 0.2276255), wk = 0.0018904 k( 399) = ( 0.4084553 -0.2172788 0.2172788), wk = 0.0018904 k( 400) = ( 0.4128146 -0.2069322 0.2069322), wk = 0.0018904 k( 401) = ( 0.4171739 -0.1965856 0.1965856), wk = 0.0018904 k( 402) = ( 0.4215331 -0.1862390 0.1862390), wk = 0.0018904 k( 403) = ( 0.4258924 -0.1758924 0.1758924), wk = 0.0018904 k( 404) = ( 0.4302517 -0.1655458 0.1655458), wk = 0.0018904 k( 405) = ( 0.4346109 -0.1551992 0.1551992), wk = 0.0018904 k( 406) = ( 0.4389702 -0.1448526 0.1448526), wk = 0.0018904 k( 407) = ( 0.4433295 -0.1345060 0.1345060), wk = 0.0018904 k( 408) = ( 0.4476888 -0.1241593 0.1241593), wk = 0.0018904 k( 409) = ( 0.4520480 -0.1138127 0.1138127), wk = 0.0018904 k( 410) = ( 0.4564073 -0.1034661 0.1034661), wk = 0.0018904 k( 411) = ( 0.4607666 -0.0931195 0.0931195), wk = 0.0018904 k( 412) = ( 0.4651258 -0.0827729 0.0827729), wk = 0.0018904 k( 413) = ( 0.4694851 -0.0724263 0.0724263), wk = 0.0018904 k( 414) = ( 0.4738444 -0.0620797 0.0620797), wk = 0.0018904 k( 415) = ( 0.4782036 -0.0517331 0.0517331), wk = 0.0018904 k( 416) = ( 0.4825629 -0.0413864 0.0413864), wk = 0.0018904 k( 417) = ( 0.4869222 -0.0310398 0.0310398), wk = 0.0018904 k( 418) = ( 0.4912815 -0.0206932 0.0206932), wk = 0.0018904 k( 419) = ( 0.4956407 -0.0103466 0.0103466), wk = 0.0018904 k( 420) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018904 k( 421) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0018904 k( 422) = ( 0.4947917 0.0052083 0.0052083), wk = 0.0018904 k( 423) = ( 0.4895833 0.0104167 0.0104167), wk = 0.0018904 k( 424) = ( 0.4843750 0.0156250 0.0156250), wk = 0.0018904 k( 425) = ( 0.4791667 0.0208333 0.0208333), wk = 0.0018904 k( 426) = ( 0.4739583 0.0260417 0.0260417), wk = 0.0018904 k( 427) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0018904 k( 428) = ( 0.4635417 0.0364583 0.0364583), wk = 0.0018904 k( 429) = ( 0.4583333 0.0416667 0.0416667), wk = 0.0018904 k( 430) = ( 0.4531250 0.0468750 0.0468750), wk = 0.0018904 k( 431) = ( 0.4479167 0.0520833 0.0520833), wk = 0.0018904 k( 432) = ( 0.4427083 0.0572917 0.0572917), wk = 0.0018904 k( 433) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0018904 k( 434) = ( 0.4322917 0.0677083 0.0677083), wk = 0.0018904 k( 435) = ( 0.4270833 0.0729167 0.0729167), wk = 0.0018904 k( 436) = ( 0.4218750 0.0781250 0.0781250), wk = 0.0018904 k( 437) = ( 0.4166667 0.0833333 0.0833333), wk = 0.0018904 k( 438) = ( 0.4114583 0.0885417 0.0885417), wk = 0.0018904 k( 439) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0018904 k( 440) = ( 0.4010417 0.0989583 0.0989583), wk = 0.0018904 k( 441) = ( 0.3958333 0.1041667 0.1041667), wk = 0.0018904 k( 442) = ( 0.3906250 0.1093750 0.1093750), wk = 0.0018904 k( 443) = ( 0.3854167 0.1145833 0.1145833), wk = 0.0018904 k( 444) = ( 0.3802083 0.1197917 0.1197917), wk = 0.0018904 k( 445) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0018904 k( 446) = ( 0.3697917 0.1302083 0.1302083), wk = 0.0018904 k( 447) = ( 0.3645833 0.1354167 0.1354167), wk = 0.0018904 k( 448) = ( 0.3593750 0.1406250 0.1406250), wk = 0.0018904 k( 449) = ( 0.3541667 0.1458333 0.1458333), wk = 0.0018904 k( 450) = ( 0.3489583 0.1510417 0.1510417), wk = 0.0018904 k( 451) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0018904 k( 452) = ( 0.3385417 0.1614583 0.1614583), wk = 0.0018904 k( 453) = ( 0.3333333 0.1666667 0.1666667), wk = 0.0018904 k( 454) = ( 0.3281250 0.1718750 0.1718750), wk = 0.0018904 k( 455) = ( 0.3229167 0.1770833 0.1770833), wk = 0.0018904 k( 456) = ( 0.3177083 0.1822917 0.1822917), wk = 0.0018904 k( 457) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0018904 k( 458) = ( 0.3072917 0.1927083 0.1927083), wk = 0.0018904 k( 459) = ( 0.3020833 0.1979167 0.1979167), wk = 0.0018904 k( 460) = ( 0.2968750 0.2031250 0.2031250), wk = 0.0018904 k( 461) = ( 0.2916667 0.2083333 0.2083333), wk = 0.0018904 k( 462) = ( 0.2864583 0.2135417 0.2135417), wk = 0.0018904 k( 463) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0018904 k( 464) = ( 0.2760417 0.2239583 0.2239583), wk = 0.0018904 k( 465) = ( 0.2708333 0.2291667 0.2291667), wk = 0.0018904 k( 466) = ( 0.2656250 0.2343750 0.2343750), wk = 0.0018904 k( 467) = ( 0.2604167 0.2395833 0.2395833), wk = 0.0018904 k( 468) = ( 0.2552083 0.2447917 0.2447917), wk = 0.0018904 k( 469) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0018904 k( 470) = ( 0.1915352 -0.1915352 0.5120343), wk = 0.0018904 k( 471) = ( 0.1967046 -0.1967046 0.5068650), wk = 0.0018904 k( 472) = ( 0.2018739 -0.2018739 0.5016957), wk = 0.0018904 k( 473) = ( 0.2070433 -0.2070433 0.4965263), wk = 0.0018904 k( 474) = ( 0.2122126 -0.2122126 0.4913570), wk = 0.0018904 k( 475) = ( 0.2173819 -0.2173819 0.4861876), wk = 0.0018904 k( 476) = ( 0.2225513 -0.2225513 0.4810183), wk = 0.0018904 k( 477) = ( 0.2277206 -0.2277206 0.4758490), wk = 0.0018904 k( 478) = ( 0.2328900 -0.2328900 0.4706796), wk = 0.0018904 k( 479) = ( 0.2380593 -0.2380593 0.4655103), wk = 0.0018904 k( 480) = ( 0.2432286 -0.2432286 0.4603409), wk = 0.0018904 k( 481) = ( 0.2483980 -0.2483980 0.4551716), wk = 0.0018904 k( 482) = ( 0.2535673 -0.2535673 0.4500023), wk = 0.0018904 k( 483) = ( 0.2587367 -0.2587367 0.4448329), wk = 0.0018904 k( 484) = ( 0.2639060 -0.2639060 0.4396636), wk = 0.0018904 k( 485) = ( 0.2690753 -0.2690753 0.4344942), wk = 0.0018904 k( 486) = ( 0.2742447 -0.2742447 0.4293249), wk = 0.0018904 k( 487) = ( 0.2794140 -0.2794140 0.4241555), wk = 0.0018904 k( 488) = ( 0.2845834 -0.2845834 0.4189862), wk = 0.0018904 k( 489) = ( 0.2897527 -0.2897527 0.4138169), wk = 0.0018904 k( 490) = ( 0.2949220 -0.2949220 0.4086475), wk = 0.0018904 k( 491) = ( 0.3000914 -0.3000914 0.4034782), wk = 0.0018904 k( 492) = ( 0.3052607 -0.3052607 0.3983089), wk = 0.0018904 k( 493) = ( 0.3104301 -0.3104301 0.3931395), wk = 0.0018904 k( 494) = ( 0.3155994 -0.3155994 0.3879702), wk = 0.0018904 k( 495) = ( 0.3207687 -0.3207687 0.3828008), wk = 0.0018904 k( 496) = ( 0.3259381 -0.3259381 0.3776315), wk = 0.0018904 k( 497) = ( 0.3311074 -0.3311074 0.3724621), wk = 0.0018904 k( 498) = ( 0.3362768 -0.3362768 0.3672928), wk = 0.0018904 k( 499) = ( 0.3414461 -0.3414461 0.3621235), wk = 0.0018904 k( 500) = ( 0.3466154 -0.3466154 0.3569541), wk = 0.0018904 k( 501) = ( 0.3517848 -0.3517848 0.3517848), wk = 0.0018904 k( 502) = ( 0.6482152 0.3517848 -0.3517848), wk = 0.0018904 k( 503) = ( 0.6427258 0.3572742 -0.3572742), wk = 0.0018904 k( 504) = ( 0.6372363 0.3627637 -0.3627637), wk = 0.0018904 k( 505) = ( 0.6317469 0.3682531 -0.3682531), wk = 0.0018904 k( 506) = ( 0.6262574 0.3737426 -0.3737426), wk = 0.0018904 k( 507) = ( 0.6207679 0.3792320 -0.3792321), wk = 0.0018904 k( 508) = ( 0.6152785 0.3847215 -0.3847215), wk = 0.0018904 k( 509) = ( 0.6097891 0.3902109 -0.3902110), wk = 0.0018904 k( 510) = ( 0.6042996 0.3957004 -0.3957004), wk = 0.0018904 k( 511) = ( 0.5988101 0.4011899 -0.4011899), wk = 0.0018904 k( 512) = ( 0.5933207 0.4066793 -0.4066793), wk = 0.0018904 k( 513) = ( 0.5878312 0.4121688 -0.4121688), wk = 0.0018904 k( 514) = ( 0.5823418 0.4176582 -0.4176582), wk = 0.0018904 k( 515) = ( 0.5768523 0.4231477 -0.4231477), wk = 0.0018904 k( 516) = ( 0.5713629 0.4286371 -0.4286371), wk = 0.0018904 k( 517) = ( 0.5658734 0.4341266 -0.4341266), wk = 0.0018904 k( 518) = ( 0.5603840 0.4396160 -0.4396160), wk = 0.0018904 k( 519) = ( 0.5548945 0.4451055 -0.4451055), wk = 0.0018904 k( 520) = ( 0.5494051 0.4505949 -0.4505949), wk = 0.0018904 k( 521) = ( 0.5439156 0.4560844 -0.4560844), wk = 0.0018904 k( 522) = ( 0.5384262 0.4615738 -0.4615738), wk = 0.0018904 k( 523) = ( 0.5329367 0.4670633 -0.4670633), wk = 0.0018904 k( 524) = ( 0.5274473 0.4725527 -0.4725527), wk = 0.0018904 k( 525) = ( 0.5219578 0.4780422 -0.4780422), wk = 0.0018904 k( 526) = ( 0.5164684 0.4835316 -0.4835316), wk = 0.0018904 k( 527) = ( 0.5109789 0.4890211 -0.4890211), wk = 0.0018904 k( 528) = ( 0.5054895 0.4945105 -0.4945105), wk = 0.0018904 k( 529) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0018904 Dense grid: 31201 G-vectors FFT dimensions: ( 45, 45, 45) Smooth grid: 9473 G-vectors FFT dimensions: ( 32, 32, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 88, 26) NL pseudopotentials 0.03 Mb ( 44, 48) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 975) G-vector shells 0.01 Mb ( 902) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.14 Mb ( 88, 104) Each subspace H/S matrix 0.17 Mb ( 104, 104) Each matrix 0.04 Mb ( 48, 2, 26) The potential is recalculated from file : ./HgO.save/charge-density.dat Starting wfc are 26 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 3.7 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.8 secs Computing kpt #: 7 total cpu time spent up to now is 5.1 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.7 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.2 secs Computing kpt #: 12 total cpu time spent up to now is 6.4 secs Computing kpt #: 13 total cpu time spent up to now is 6.7 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.2 secs Computing kpt #: 16 total cpu time spent up to now is 7.5 secs Computing kpt #: 17 total cpu time spent up to now is 7.7 secs Computing kpt #: 18 total cpu time spent up to now is 8.0 secs Computing kpt #: 19 total cpu time spent up to now is 8.3 secs Computing kpt #: 20 total cpu time spent up to now is 8.5 secs Computing kpt #: 21 total cpu time spent up to now is 8.8 secs Computing kpt #: 22 total cpu time spent up to now is 9.1 secs Computing kpt #: 23 total cpu time spent up to now is 9.3 secs Computing kpt #: 24 total cpu time spent up to now is 9.6 secs Computing kpt #: 25 total cpu time spent up to now is 9.9 secs Computing kpt #: 26 total cpu time spent up to now is 10.2 secs Computing kpt #: 27 total cpu time spent up to now is 10.4 secs Computing kpt #: 28 total cpu time spent up to now is 10.7 secs Computing kpt #: 29 total cpu time spent up to now is 11.0 secs Computing kpt #: 30 total cpu time spent up to now is 11.2 secs Computing kpt #: 31 total cpu time spent up to now is 11.5 secs Computing kpt #: 32 total cpu time spent up to now is 11.8 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.3 secs Computing kpt #: 35 total cpu time spent up to now is 12.6 secs Computing kpt #: 36 total cpu time spent up to now is 12.8 secs Computing kpt #: 37 total cpu time spent up to now is 13.1 secs Computing kpt #: 38 total cpu time spent up to now is 13.3 secs Computing kpt #: 39 total cpu time spent up to now is 13.6 secs Computing kpt #: 40 total cpu time spent up to now is 13.8 secs Computing kpt #: 41 total cpu time spent up to now is 14.1 secs Computing kpt #: 42 total cpu time spent up to now is 14.3 secs Computing kpt #: 43 total cpu time spent up to now is 14.6 secs Computing kpt #: 44 total cpu time spent up to now is 14.8 secs Computing kpt #: 45 total cpu time spent up to now is 15.1 secs Computing kpt #: 46 total cpu time spent up to now is 15.3 secs Computing kpt #: 47 total cpu time spent up to now is 15.5 secs Computing kpt #: 48 total cpu time spent up to now is 15.8 secs Computing kpt #: 49 total cpu time spent up to now is 16.0 secs Computing kpt #: 50 total cpu time spent up to now is 16.3 secs Computing kpt #: 51 total cpu time spent up to now is 16.5 secs Computing kpt #: 52 total cpu time spent up to now is 16.7 secs Computing kpt #: 53 total cpu time spent up to now is 17.0 secs Computing kpt #: 54 total cpu time spent up to now is 17.2 secs Computing kpt #: 55 total cpu time spent up to now is 17.5 secs Computing kpt #: 56 total cpu time spent up to now is 17.7 secs Computing kpt #: 57 total cpu time spent up to now is 18.0 secs Computing kpt #: 58 total cpu time spent up to now is 18.2 secs Computing kpt #: 59 total cpu time spent up to now is 18.4 secs Computing kpt #: 60 total cpu time spent up to now is 18.7 secs Computing kpt #: 61 total cpu time spent up to now is 18.9 secs Computing kpt #: 62 total cpu time spent up to now is 19.2 secs Computing kpt #: 63 total cpu time spent up to now is 19.4 secs Computing kpt #: 64 total cpu time spent up to now is 19.6 secs Computing kpt #: 65 total cpu time spent up to now is 19.9 secs Computing kpt #: 66 total cpu time spent up to now is 20.1 secs Computing kpt #: 67 total cpu time spent up to now is 20.3 secs Computing kpt #: 68 total cpu time spent up to now is 20.6 secs Computing kpt #: 69 total cpu time spent up to now is 20.8 secs Computing kpt #: 70 total cpu time spent up to now is 21.1 secs Computing kpt #: 71 total cpu time spent up to now is 21.3 secs Computing kpt #: 72 total cpu time spent up to now is 21.5 secs Computing kpt #: 73 total cpu time spent up to now is 21.8 secs Computing kpt #: 74 total cpu time spent up to now is 22.0 secs Computing kpt #: 75 total cpu time spent up to now is 22.2 secs Computing kpt #: 76 total cpu time spent up to now is 22.5 secs Computing kpt #: 77 total cpu time spent up to now is 22.7 secs Computing kpt #: 78 total cpu time spent up to now is 22.9 secs Computing kpt #: 79 total cpu time spent up to now is 23.1 secs Computing kpt #: 80 total cpu time spent up to now is 23.4 secs Computing kpt #: 81 total cpu time spent up to now is 23.6 secs Computing kpt #: 82 total cpu time spent up to now is 23.8 secs Computing kpt #: 83 total cpu time spent up to now is 24.1 secs Computing kpt #: 84 total cpu time spent up to now is 24.3 secs Computing kpt #: 85 total cpu time spent up to now is 24.5 secs Computing kpt #: 86 total cpu time spent up to now is 24.8 secs Computing kpt #: 87 total cpu time spent up to now is 25.0 secs Computing kpt #: 88 total cpu time spent up to now is 25.2 secs Computing kpt #: 89 total cpu time spent up to now is 25.5 secs Computing kpt #: 90 total cpu time spent up to now is 25.7 secs Computing kpt #: 91 total cpu time spent up to now is 25.9 secs Computing kpt #: 92 total cpu time spent up to now is 26.1 secs Computing kpt #: 93 total cpu time spent up to now is 26.4 secs Computing kpt #: 94 total cpu time spent up to now is 26.6 secs Computing kpt #: 95 total cpu time spent up to now is 26.8 secs Computing kpt #: 96 total cpu time spent up to now is 27.1 secs Computing kpt #: 97 total cpu time spent up to now is 27.3 secs Computing kpt #: 98 total cpu time spent up to now is 27.6 secs Computing kpt #: 99 total cpu time spent up to now is 27.8 secs Computing kpt #: 100 total cpu time spent up to now is 28.0 secs Computing kpt #: 101 total cpu time spent up to now is 28.3 secs Computing kpt #: 102 total cpu time spent up to now is 28.5 secs Computing kpt #: 103 total cpu time spent up to now is 28.8 secs Computing kpt #: 104 total cpu time spent up to now is 29.0 secs Computing kpt #: 105 total cpu time spent up to now is 29.2 secs Computing kpt #: 106 total cpu time spent up to now is 29.5 secs Computing kpt #: 107 total cpu time spent up to now is 29.7 secs Computing kpt #: 108 total cpu time spent up to now is 30.0 secs Computing kpt #: 109 total cpu time spent up to now is 30.2 secs Computing kpt #: 110 total cpu time spent up to now is 30.5 secs Computing kpt #: 111 total cpu time spent up to now is 30.7 secs Computing kpt #: 112 total cpu time spent up to now is 31.0 secs Computing kpt #: 113 total cpu time spent up to now is 31.3 secs Computing kpt #: 114 total cpu time spent up to now is 31.9 secs Computing kpt #: 115 total cpu time spent up to now is 32.3 secs Computing kpt #: 116 total cpu time spent up to now is 32.8 secs Computing kpt #: 117 total cpu time spent up to now is 33.3 secs Computing kpt #: 118 total cpu time spent up to now is 33.8 secs Computing kpt #: 119 total cpu time spent up to now is 34.3 secs Computing kpt #: 120 total cpu time spent up to now is 34.8 secs Computing kpt #: 121 total cpu time spent up to now is 35.3 secs Computing kpt #: 122 total cpu time spent up to now is 35.7 secs Computing kpt #: 123 total cpu time spent up to now is 36.0 secs Computing kpt #: 124 total cpu time spent up to now is 36.2 secs Computing kpt #: 125 total cpu time spent up to now is 36.5 secs Computing kpt #: 126 total cpu time spent up to now is 36.8 secs Computing kpt #: 127 total cpu time spent up to now is 37.0 secs Computing kpt #: 128 total cpu time spent up to now is 37.3 secs Computing kpt #: 129 total cpu time spent up to now is 37.5 secs Computing kpt #: 130 total cpu time spent up to now is 37.8 secs Computing kpt #: 131 total cpu time spent up to now is 38.0 secs Computing kpt #: 132 total cpu time spent up to now is 38.3 secs Computing kpt #: 133 total cpu time spent up to now is 38.5 secs Computing kpt #: 134 total cpu time spent up to now is 38.8 secs Computing kpt #: 135 total cpu time spent up to now is 39.0 secs Computing kpt #: 136 total cpu time spent up to now is 39.2 secs Computing kpt #: 137 total cpu time spent up to now is 39.5 secs Computing kpt #: 138 total cpu time spent up to now is 39.7 secs Computing kpt #: 139 total cpu time spent up to now is 40.0 secs Computing kpt #: 140 total cpu time spent up to now is 40.2 secs Computing kpt #: 141 total cpu time spent up to now is 40.4 secs Computing kpt #: 142 total cpu time spent up to now is 40.7 secs Computing kpt #: 143 total cpu time spent up to now is 40.9 secs Computing kpt #: 144 total cpu time spent up to now is 41.1 secs Computing kpt #: 145 total cpu time spent up to now is 41.4 secs Computing kpt #: 146 total cpu time spent up to now is 41.6 secs Computing kpt #: 147 total cpu time spent up to now is 41.8 secs Computing kpt #: 148 total cpu time spent up to now is 42.0 secs Computing kpt #: 149 total cpu time spent up to now is 42.3 secs Computing kpt #: 150 total cpu time spent up to now is 42.5 secs Computing kpt #: 151 total cpu time spent up to now is 42.7 secs Computing kpt #: 152 total cpu time spent up to now is 43.0 secs Computing kpt #: 153 total cpu time spent up to now is 43.2 secs Computing kpt #: 154 total cpu time spent up to now is 43.4 secs Computing kpt #: 155 total cpu time spent up to now is 43.7 secs Computing kpt #: 156 total cpu time spent up to now is 43.9 secs Computing kpt #: 157 total cpu time spent up to now is 44.1 secs Computing kpt #: 158 total cpu time spent up to now is 44.4 secs Computing kpt #: 159 total cpu time spent up to now is 44.6 secs Computing kpt #: 160 total cpu time spent up to now is 44.8 secs Computing kpt #: 161 total cpu time spent up to now is 45.1 secs Computing kpt #: 162 total cpu time spent up to now is 45.3 secs Computing kpt #: 163 total cpu time spent up to now is 45.5 secs Computing kpt #: 164 total cpu time spent up to now is 45.8 secs Computing kpt #: 165 total cpu time spent up to now is 46.0 secs Computing kpt #: 166 total cpu time spent up to now is 46.2 secs Computing kpt #: 167 total cpu time spent up to now is 46.5 secs Computing kpt #: 168 total cpu time spent up to now is 46.7 secs Computing kpt #: 169 total cpu time spent up to now is 46.9 secs Computing kpt #: 170 total cpu time spent up to now is 47.2 secs Computing kpt #: 171 total cpu time spent up to now is 47.4 secs Computing kpt #: 172 total cpu time spent up to now is 47.6 secs Computing kpt #: 173 total cpu time spent up to now is 47.9 secs Computing kpt #: 174 total cpu time spent up to now is 48.1 secs Computing kpt #: 175 total cpu time spent up to now is 48.4 secs Computing kpt #: 176 total cpu time spent up to now is 48.6 secs Computing kpt #: 177 total cpu time spent up to now is 48.8 secs Computing kpt #: 178 total cpu time spent up to now is 49.1 secs Computing kpt #: 179 total cpu time spent up to now is 49.3 secs Computing kpt #: 180 total cpu time spent up to now is 49.5 secs Computing kpt #: 181 total cpu time spent up to now is 49.7 secs Computing kpt #: 182 total cpu time spent up to now is 50.0 secs Computing kpt #: 183 total cpu time spent up to now is 50.2 secs Computing kpt #: 184 total cpu time spent up to now is 50.4 secs Computing kpt #: 185 total cpu time spent up to now is 50.6 secs Computing kpt #: 186 total cpu time spent up to now is 50.9 secs Computing kpt #: 187 total cpu time spent up to now is 51.1 secs Computing kpt #: 188 total cpu time spent up to now is 51.3 secs Computing kpt #: 189 total cpu time spent up to now is 51.6 secs Computing kpt #: 190 total cpu time spent up to now is 51.8 secs Computing kpt #: 191 total cpu time spent up to now is 52.0 secs Computing kpt #: 192 total cpu time spent up to now is 52.3 secs Computing kpt #: 193 total cpu time spent up to now is 52.5 secs Computing kpt #: 194 total cpu time spent up to now is 52.7 secs Computing kpt #: 195 total cpu time spent up to now is 53.0 secs Computing kpt #: 196 total cpu time spent up to now is 53.2 secs Computing kpt #: 197 total cpu time spent up to now is 53.4 secs Computing kpt #: 198 total cpu time spent up to now is 53.7 secs Computing kpt #: 199 total cpu time spent up to now is 53.9 secs Computing kpt #: 200 total cpu time spent up to now is 54.2 secs Computing kpt #: 201 total cpu time spent up to now is 54.4 secs Computing kpt #: 202 total cpu time spent up to now is 54.6 secs Computing kpt #: 203 total cpu time spent up to now is 54.9 secs Computing kpt #: 204 total cpu time spent up to now is 55.1 secs Computing kpt #: 205 total cpu time spent up to now is 55.3 secs Computing kpt #: 206 total cpu time spent up to now is 55.6 secs Computing kpt #: 207 total cpu time spent up to now is 55.8 secs Computing kpt #: 208 total cpu time spent up to now is 56.1 secs Computing kpt #: 209 total cpu time spent up to now is 56.3 secs Computing kpt #: 210 total cpu time spent up to now is 56.5 secs Computing kpt #: 211 total cpu time spent up to now is 56.8 secs Computing kpt #: 212 total cpu time spent up to now is 57.0 secs Computing kpt #: 213 total cpu time spent up to now is 57.3 secs Computing kpt #: 214 total cpu time spent up to now is 57.5 secs Computing kpt #: 215 total cpu time spent up to now is 57.8 secs Computing kpt #: 216 total cpu time spent up to now is 58.0 secs Computing kpt #: 217 total cpu time spent up to now is 58.2 secs Computing kpt #: 218 total cpu time spent up to now is 58.5 secs Computing kpt #: 219 total cpu time spent up to now is 58.7 secs Computing kpt #: 220 total cpu time spent up to now is 59.0 secs Computing kpt #: 221 total cpu time spent up to now is 59.2 secs Computing kpt #: 222 total cpu time spent up to now is 59.4 secs Computing kpt #: 223 total cpu time spent up to now is 59.7 secs Computing kpt #: 224 total cpu time spent up to now is 59.9 secs Computing kpt #: 225 total cpu time spent up to now is 60.1 secs Computing kpt #: 226 total cpu time spent up to now is 60.4 secs Computing kpt #: 227 total cpu time spent up to now is 60.6 secs Computing kpt #: 228 total cpu time spent up to now is 60.9 secs Computing kpt #: 229 total cpu time spent up to now is 61.1 secs Computing kpt #: 230 total cpu time spent up to now is 61.3 secs Computing kpt #: 231 total cpu time spent up to now is 61.6 secs Computing kpt #: 232 total cpu time spent up to now is 61.8 secs Computing kpt #: 233 total cpu time spent up to now is 62.0 secs Computing kpt #: 234 total cpu time spent up to now is 62.3 secs Computing kpt #: 235 total cpu time spent up to now is 62.5 secs Computing kpt #: 236 total cpu time spent up to now is 62.7 secs Computing kpt #: 237 total cpu time spent up to now is 63.0 secs Computing kpt #: 238 total cpu time spent up to now is 63.2 secs Computing kpt #: 239 total cpu time spent up to now is 63.5 secs Computing kpt #: 240 total cpu time spent up to now is 63.7 secs Computing kpt #: 241 total cpu time spent up to now is 63.9 secs Computing kpt #: 242 total cpu time spent up to now is 64.2 secs Computing kpt #: 243 total cpu time spent up to now is 64.4 secs Computing kpt #: 244 total cpu time spent up to now is 64.7 secs Computing kpt #: 245 total cpu time spent up to now is 64.9 secs Computing kpt #: 246 total cpu time spent up to now is 65.2 secs Computing kpt #: 247 total cpu time spent up to now is 65.4 secs Computing kpt #: 248 total cpu time spent up to now is 65.6 secs Computing kpt #: 249 total cpu time spent up to now is 65.9 secs Computing kpt #: 250 total cpu time spent up to now is 66.1 secs Computing kpt #: 251 total cpu time spent up to now is 66.4 secs Computing kpt #: 252 total cpu time spent up to now is 66.6 secs Computing kpt #: 253 total cpu time spent up to now is 66.9 secs Computing kpt #: 254 total cpu time spent up to now is 67.1 secs Computing kpt #: 255 total cpu time spent up to now is 67.4 secs Computing kpt #: 256 total cpu time spent up to now is 67.6 secs Computing kpt #: 257 total cpu time spent up to now is 67.9 secs Computing kpt #: 258 total cpu time spent up to now is 68.2 secs Computing kpt #: 259 total cpu time spent up to now is 68.4 secs Computing kpt #: 260 total cpu time spent up to now is 68.7 secs Computing kpt #: 261 total cpu time spent up to now is 68.9 secs Computing kpt #: 262 total cpu time spent up to now is 69.2 secs Computing kpt #: 263 total cpu time spent up to now is 69.4 secs Computing kpt #: 264 total cpu time spent up to now is 69.7 secs Computing kpt #: 265 total cpu time spent up to now is 69.9 secs Computing kpt #: 266 total cpu time spent up to now is 70.2 secs Computing kpt #: 267 total cpu time spent up to now is 70.4 secs Computing kpt #: 268 total cpu time spent up to now is 70.7 secs Computing kpt #: 269 total cpu time spent up to now is 70.9 secs Computing kpt #: 270 total cpu time spent up to now is 71.2 secs Computing kpt #: 271 total cpu time spent up to now is 71.5 secs Computing kpt #: 272 total cpu time spent up to now is 71.7 secs Computing kpt #: 273 total cpu time spent up to now is 72.0 secs Computing kpt #: 274 total cpu time spent up to now is 72.2 secs Computing kpt #: 275 total cpu time spent up to now is 72.5 secs Computing kpt #: 276 total cpu time spent up to now is 72.8 secs Computing kpt #: 277 total cpu time spent up to now is 73.0 secs Computing kpt #: 278 total cpu time spent up to now is 73.3 secs Computing kpt #: 279 total cpu time spent up to now is 73.6 secs Computing kpt #: 280 total cpu time spent up to now is 73.8 secs Computing kpt #: 281 total cpu time spent up to now is 74.2 secs Computing kpt #: 282 total cpu time spent up to now is 74.6 secs Computing kpt #: 283 total cpu time spent up to now is 75.0 secs Computing kpt #: 284 total cpu time spent up to now is 75.3 secs Computing kpt #: 285 total cpu time spent up to now is 75.5 secs Computing kpt #: 286 total cpu time spent up to now is 75.8 secs Computing kpt #: 287 total cpu time spent up to now is 76.1 secs Computing kpt #: 288 total cpu time spent up to now is 76.4 secs Computing kpt #: 289 total cpu time spent up to now is 76.6 secs Computing kpt #: 290 total cpu time spent up to now is 76.9 secs Computing kpt #: 291 total cpu time spent up to now is 77.2 secs Computing kpt #: 292 total cpu time spent up to now is 77.5 secs Computing kpt #: 293 total cpu time spent up to now is 78.0 secs Computing kpt #: 294 total cpu time spent up to now is 78.4 secs Computing kpt #: 295 total cpu time spent up to now is 78.7 secs Computing kpt #: 296 total cpu time spent up to now is 78.9 secs Computing kpt #: 297 total cpu time spent up to now is 79.2 secs Computing kpt #: 298 total cpu time spent up to now is 79.4 secs Computing kpt #: 299 total cpu time spent up to now is 79.7 secs Computing kpt #: 300 total cpu time spent up to now is 79.9 secs Computing kpt #: 301 total cpu time spent up to now is 80.2 secs Computing kpt #: 302 total cpu time spent up to now is 80.4 secs Computing kpt #: 303 total cpu time spent up to now is 80.7 secs Computing kpt #: 304 total cpu time spent up to now is 81.0 secs Computing kpt #: 305 total cpu time spent up to now is 81.2 secs Computing kpt #: 306 total cpu time spent up to now is 81.5 secs Computing kpt #: 307 total cpu time spent up to now is 81.7 secs Computing kpt #: 308 total cpu time spent up to now is 82.0 secs Computing kpt #: 309 total cpu time spent up to now is 82.3 secs Computing kpt #: 310 total cpu time spent up to now is 82.5 secs Computing kpt #: 311 total cpu time spent up to now is 82.8 secs Computing kpt #: 312 total cpu time spent up to now is 83.0 secs Computing kpt #: 313 total cpu time spent up to now is 83.3 secs Computing kpt #: 314 total cpu time spent up to now is 83.6 secs Computing kpt #: 315 total cpu time spent up to now is 83.8 secs Computing kpt #: 316 total cpu time spent up to now is 84.1 secs Computing kpt #: 317 total cpu time spent up to now is 84.3 secs Computing kpt #: 318 total cpu time spent up to now is 84.6 secs Computing kpt #: 319 total cpu time spent up to now is 84.8 secs Computing kpt #: 320 total cpu time spent up to now is 85.1 secs Computing kpt #: 321 total cpu time spent up to now is 85.4 secs Computing kpt #: 322 total cpu time spent up to now is 85.6 secs Computing kpt #: 323 total cpu time spent up to now is 85.9 secs Computing kpt #: 324 total cpu time spent up to now is 86.1 secs Computing kpt #: 325 total cpu time spent up to now is 86.4 secs Computing kpt #: 326 total cpu time spent up to now is 86.6 secs Computing kpt #: 327 total cpu time spent up to now is 86.9 secs Computing kpt #: 328 total cpu time spent up to now is 87.2 secs Computing kpt #: 329 total cpu time spent up to now is 87.4 secs Computing kpt #: 330 total cpu time spent up to now is 87.7 secs Computing kpt #: 331 total cpu time spent up to now is 87.9 secs Computing kpt #: 332 total cpu time spent up to now is 88.2 secs Computing kpt #: 333 total cpu time spent up to now is 88.4 secs Computing kpt #: 334 total cpu time spent up to now is 88.7 secs Computing kpt #: 335 total cpu time spent up to now is 88.9 secs Computing kpt #: 336 total cpu time spent up to now is 89.2 secs Computing kpt #: 337 total cpu time spent up to now is 89.4 secs Computing kpt #: 338 total cpu time spent up to now is 89.7 secs Computing kpt #: 339 total cpu time spent up to now is 89.9 secs Computing kpt #: 340 total cpu time spent up to now is 90.2 secs Computing kpt #: 341 total cpu time spent up to now is 90.4 secs Computing kpt #: 342 total cpu time spent up to now is 90.7 secs Computing kpt #: 343 total cpu time spent up to now is 90.9 secs Computing kpt #: 344 total cpu time spent up to now is 91.2 secs Computing kpt #: 345 total cpu time spent up to now is 91.4 secs Computing kpt #: 346 total cpu time spent up to now is 91.7 secs Computing kpt #: 347 total cpu time spent up to now is 91.9 secs Computing kpt #: 348 total cpu time spent up to now is 92.2 secs Computing kpt #: 349 total cpu time spent up to now is 92.4 secs Computing kpt #: 350 total cpu time spent up to now is 92.6 secs Computing kpt #: 351 total cpu time spent up to now is 92.9 secs Computing kpt #: 352 total cpu time spent up to now is 93.1 secs Computing kpt #: 353 total cpu time spent up to now is 93.4 secs Computing kpt #: 354 total cpu time spent up to now is 93.6 secs Computing kpt #: 355 total cpu time spent up to now is 93.8 secs Computing kpt #: 356 total cpu time spent up to now is 94.1 secs Computing kpt #: 357 total cpu time spent up to now is 94.3 secs Computing kpt #: 358 total cpu time spent up to now is 94.5 secs Computing kpt #: 359 total cpu time spent up to now is 94.8 secs Computing kpt #: 360 total cpu time spent up to now is 95.0 secs Computing kpt #: 361 total cpu time spent up to now is 95.2 secs Computing kpt #: 362 total cpu time spent up to now is 95.5 secs Computing kpt #: 363 total cpu time spent up to now is 95.7 secs Computing kpt #: 364 total cpu time spent up to now is 95.9 secs Computing kpt #: 365 total cpu time spent up to now is 96.1 secs Computing kpt #: 366 total cpu time spent up to now is 96.4 secs Computing kpt #: 367 total cpu time spent up to now is 96.6 secs Computing kpt #: 368 total cpu time spent up to now is 96.9 secs Computing kpt #: 369 total cpu time spent up to now is 97.1 secs Computing kpt #: 370 total cpu time spent up to now is 97.3 secs Computing kpt #: 371 total cpu time spent up to now is 97.5 secs Computing kpt #: 372 total cpu time spent up to now is 97.8 secs Computing kpt #: 373 total cpu time spent up to now is 98.0 secs Computing kpt #: 374 total cpu time spent up to now is 98.2 secs Computing kpt #: 375 total cpu time spent up to now is 98.5 secs Computing kpt #: 376 total cpu time spent up to now is 98.7 secs Computing kpt #: 377 total cpu time spent up to now is 99.0 secs Computing kpt #: 378 total cpu time spent up to now is 99.2 secs Computing kpt #: 379 total cpu time spent up to now is 99.4 secs Computing kpt #: 380 total cpu time spent up to now is 99.7 secs Computing kpt #: 381 total cpu time spent up to now is 99.9 secs Computing kpt #: 382 total cpu time spent up to now is 100.1 secs Computing kpt #: 383 total cpu time spent up to now is 100.4 secs Computing kpt #: 384 total cpu time spent up to now is 100.6 secs Computing kpt #: 385 total cpu time spent up to now is 100.8 secs Computing kpt #: 386 total cpu time spent up to now is 101.1 secs Computing kpt #: 387 total cpu time spent up to now is 101.3 secs Computing kpt #: 388 total cpu time spent up to now is 101.6 secs Computing kpt #: 389 total cpu time spent up to now is 101.8 secs Computing kpt #: 390 total cpu time spent up to now is 102.0 secs Computing kpt #: 391 total cpu time spent up to now is 102.3 secs Computing kpt #: 392 total cpu time spent up to now is 102.5 secs Computing kpt #: 393 total cpu time spent up to now is 102.7 secs Computing kpt #: 394 total cpu time spent up to now is 103.0 secs Computing kpt #: 395 total cpu time spent up to now is 103.2 secs Computing kpt #: 396 total cpu time spent up to now is 103.4 secs Computing kpt #: 397 total cpu time spent up to now is 103.7 secs Computing kpt #: 398 total cpu time spent up to now is 103.9 secs Computing kpt #: 399 total cpu time spent up to now is 104.1 secs Computing kpt #: 400 total cpu time spent up to now is 104.4 secs Computing kpt #: 401 total cpu time spent up to now is 104.6 secs Computing kpt #: 402 total cpu time spent up to now is 104.8 secs Computing kpt #: 403 total cpu time spent up to now is 105.1 secs Computing kpt #: 404 total cpu time spent up to now is 105.3 secs Computing kpt #: 405 total cpu time spent up to now is 105.6 secs Computing kpt #: 406 total cpu time spent up to now is 105.8 secs Computing kpt #: 407 total cpu time spent up to now is 106.0 secs Computing kpt #: 408 total cpu time spent up to now is 106.3 secs Computing kpt #: 409 total cpu time spent up to now is 106.5 secs Computing kpt #: 410 total cpu time spent up to now is 106.7 secs Computing kpt #: 411 total cpu time spent up to now is 107.0 secs Computing kpt #: 412 total cpu time spent up to now is 107.2 secs Computing kpt #: 413 total cpu time spent up to now is 107.4 secs Computing kpt #: 414 total cpu time spent up to now is 107.7 secs Computing kpt #: 415 total cpu time spent up to now is 107.9 secs Computing kpt #: 416 total cpu time spent up to now is 108.2 secs Computing kpt #: 417 total cpu time spent up to now is 108.4 secs Computing kpt #: 418 total cpu time spent up to now is 108.7 secs Computing kpt #: 419 total cpu time spent up to now is 108.9 secs Computing kpt #: 420 total cpu time spent up to now is 109.1 secs Computing kpt #: 421 total cpu time spent up to now is 109.4 secs Computing kpt #: 422 total cpu time spent up to now is 109.6 secs Computing kpt #: 423 total cpu time spent up to now is 109.9 secs Computing kpt #: 424 total cpu time spent up to now is 110.1 secs Computing kpt #: 425 total cpu time spent up to now is 110.3 secs Computing kpt #: 426 total cpu time spent up to now is 110.6 secs Computing kpt #: 427 total cpu time spent up to now is 110.8 secs Computing kpt #: 428 total cpu time spent up to now is 111.1 secs Computing kpt #: 429 total cpu time spent up to now is 111.3 secs Computing kpt #: 430 total cpu time spent up to now is 111.5 secs Computing kpt #: 431 total cpu time spent up to now is 111.8 secs Computing kpt #: 432 total cpu time spent up to now is 112.0 secs Computing kpt #: 433 total cpu time spent up to now is 112.2 secs Computing kpt #: 434 total cpu time spent up to now is 112.5 secs Computing kpt #: 435 total cpu time spent up to now is 112.7 secs Computing kpt #: 436 total cpu time spent up to now is 112.9 secs Computing kpt #: 437 total cpu time spent up to now is 113.2 secs Computing kpt #: 438 total cpu time spent up to now is 113.4 secs Computing kpt #: 439 total cpu time spent up to now is 113.7 secs Computing kpt #: 440 total cpu time spent up to now is 113.9 secs Computing kpt #: 441 total cpu time spent up to now is 114.1 secs Computing kpt #: 442 total cpu time spent up to now is 114.4 secs Computing kpt #: 443 total cpu time spent up to now is 114.6 secs Computing kpt #: 444 total cpu time spent up to now is 114.8 secs Computing kpt #: 445 total cpu time spent up to now is 115.1 secs Computing kpt #: 446 total cpu time spent up to now is 115.3 secs Computing kpt #: 447 total cpu time spent up to now is 115.5 secs Computing kpt #: 448 total cpu time spent up to now is 115.8 secs Computing kpt #: 449 total cpu time spent up to now is 116.0 secs Computing kpt #: 450 total cpu time spent up to now is 116.2 secs Computing kpt #: 451 total cpu time spent up to now is 116.5 secs Computing kpt #: 452 total cpu time spent up to now is 116.7 secs Computing kpt #: 453 total cpu time spent up to now is 116.9 secs Computing kpt #: 454 total cpu time spent up to now is 117.1 secs Computing kpt #: 455 total cpu time spent up to now is 117.4 secs Computing kpt #: 456 total cpu time spent up to now is 117.6 secs Computing kpt #: 457 total cpu time spent up to now is 117.8 secs Computing kpt #: 458 total cpu time spent up to now is 118.1 secs Computing kpt #: 459 total cpu time spent up to now is 118.3 secs Computing kpt #: 460 total cpu time spent up to now is 118.5 secs Computing kpt #: 461 total cpu time spent up to now is 118.8 secs Computing kpt #: 462 total cpu time spent up to now is 119.0 secs Computing kpt #: 463 total cpu time spent up to now is 119.2 secs Computing kpt #: 464 total cpu time spent up to now is 119.5 secs Computing kpt #: 465 total cpu time spent up to now is 119.7 secs Computing kpt #: 466 total cpu time spent up to now is 119.9 secs Computing kpt #: 467 total cpu time spent up to now is 120.2 secs Computing kpt #: 468 total cpu time spent up to now is 120.4 secs Computing kpt #: 469 total cpu time spent up to now is 120.6 secs Computing kpt #: 470 total cpu time spent up to now is 120.9 secs Computing kpt #: 471 total cpu time spent up to now is 121.1 secs Computing kpt #: 472 total cpu time spent up to now is 121.3 secs Computing kpt #: 473 total cpu time spent up to now is 121.5 secs Computing kpt #: 474 total cpu time spent up to now is 121.8 secs Computing kpt #: 475 total cpu time spent up to now is 122.0 secs Computing kpt #: 476 total cpu time spent up to now is 122.2 secs Computing kpt #: 477 total cpu time spent up to now is 122.5 secs Computing kpt #: 478 total cpu time spent up to now is 122.7 secs Computing kpt #: 479 total cpu time spent up to now is 122.9 secs Computing kpt #: 480 total cpu time spent up to now is 123.2 secs Computing kpt #: 481 total cpu time spent up to now is 123.4 secs Computing kpt #: 482 total cpu time spent up to now is 123.6 secs Computing kpt #: 483 total cpu time spent up to now is 123.9 secs Computing kpt #: 484 total cpu time spent up to now is 124.1 secs Computing kpt #: 485 total cpu time spent up to now is 124.3 secs Computing kpt #: 486 total cpu time spent up to now is 124.6 secs Computing kpt #: 487 total cpu time spent up to now is 124.8 secs Computing kpt #: 488 total cpu time spent up to now is 125.0 secs Computing kpt #: 489 total cpu time spent up to now is 125.2 secs Computing kpt #: 490 total cpu time spent up to now is 125.5 secs Computing kpt #: 491 total cpu time spent up to now is 125.7 secs Computing kpt #: 492 total cpu time spent up to now is 126.0 secs Computing kpt #: 493 total cpu time spent up to now is 126.2 secs Computing kpt #: 494 total cpu time spent up to now is 126.4 secs Computing kpt #: 495 total cpu time spent up to now is 126.7 secs Computing kpt #: 496 total cpu time spent up to now is 126.9 secs Computing kpt #: 497 total cpu time spent up to now is 127.1 secs Computing kpt #: 498 total cpu time spent up to now is 127.4 secs Computing kpt #: 499 total cpu time spent up to now is 127.6 secs Computing kpt #: 500 total cpu time spent up to now is 127.8 secs Computing kpt #: 501 total cpu time spent up to now is 128.1 secs Computing kpt #: 502 total cpu time spent up to now is 128.3 secs Computing kpt #: 503 total cpu time spent up to now is 128.6 secs Computing kpt #: 504 total cpu time spent up to now is 128.8 secs Computing kpt #: 505 total cpu time spent up to now is 129.1 secs Computing kpt #: 506 total cpu time spent up to now is 129.3 secs Computing kpt #: 507 total cpu time spent up to now is 129.5 secs Computing kpt #: 508 total cpu time spent up to now is 129.8 secs Computing kpt #: 509 total cpu time spent up to now is 130.0 secs Computing kpt #: 510 total cpu time spent up to now is 130.3 secs Computing kpt #: 511 total cpu time spent up to now is 130.5 secs Computing kpt #: 512 total cpu time spent up to now is 130.8 secs Computing kpt #: 513 total cpu time spent up to now is 131.0 secs Computing kpt #: 514 total cpu time spent up to now is 131.2 secs Computing kpt #: 515 total cpu time spent up to now is 131.5 secs Computing kpt #: 516 total cpu time spent up to now is 131.7 secs Computing kpt #: 517 total cpu time spent up to now is 132.0 secs Computing kpt #: 518 total cpu time spent up to now is 132.2 secs Computing kpt #: 519 total cpu time spent up to now is 132.5 secs Computing kpt #: 520 total cpu time spent up to now is 132.7 secs Computing kpt #: 521 total cpu time spent up to now is 133.0 secs Computing kpt #: 522 total cpu time spent up to now is 133.2 secs Computing kpt #: 523 total cpu time spent up to now is 133.5 secs Computing kpt #: 524 total cpu time spent up to now is 133.7 secs Computing kpt #: 525 total cpu time spent up to now is 134.0 secs Computing kpt #: 526 total cpu time spent up to now is 134.2 secs Computing kpt #: 527 total cpu time spent up to now is 134.5 secs Computing kpt #: 528 total cpu time spent up to now is 134.8 secs Computing kpt #: 529 total cpu time spent up to now is 135.0 secs ethr = 5.56E-11, avg # of iterations = 28.7 total cpu time spent up to now is 135.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1199 PWs) bands (ev): -9.1828 -9.1828 1.2773 1.2773 2.0713 2.0713 2.5553 2.5553 3.6619 3.6619 3.9200 3.9200 6.4188 6.4188 7.6528 7.6528 8.2770 8.2770 8.4923 8.4923 20.1930 20.1930 22.1694 22.1694 23.2715 23.2715 k =-0.0052 0.0060 0.0085 ( 1199 PWs) bands (ev): -9.1833 -9.1813 1.2690 1.2860 2.0632 2.0796 2.5376 2.5730 3.6507 3.6726 3.9172 3.9224 6.4091 6.4248 7.6488 7.6580 8.2768 8.2803 8.4675 8.5194 20.1886 20.1966 22.1503 22.1857 23.2432 23.2760 k =-0.0105 0.0119 0.0169 ( 1199 PWs) bands (ev): -9.1830 -9.1790 1.2611 1.2951 2.0551 2.0878 2.5199 2.5907 3.6388 3.6826 3.9140 3.9243 6.3957 6.4270 7.6459 7.6643 8.2801 8.2860 8.4456 8.5481 20.1833 20.1993 22.1288 22.1982 23.1945 23.2560 k =-0.0157 0.0179 0.0254 ( 1199 PWs) bands (ev): -9.1818 -9.1757 1.2535 1.3045 2.0471 2.0961 2.5023 2.6083 3.6263 3.6921 3.9103 3.9258 6.3788 6.4252 7.6442 7.6716 8.2874 8.2936 8.4275 8.5778 20.1767 20.2007 22.1055 22.2055 23.1307 23.2134 k =-0.0209 0.0239 0.0338 ( 1199 PWs) bands (ev): -9.1797 -9.1717 1.2463 1.3142 2.0391 2.1045 2.4848 2.6260 3.6133 3.7010 3.9063 3.9270 6.3584 6.4191 7.6436 7.6800 8.2994 8.3026 8.4139 8.6079 20.1686 20.2004 22.0803 22.2056 23.0589 23.1516 k =-0.0261 0.0299 0.0423 ( 1205 PWs) bands (ev): -9.1767 -9.1668 1.2394 1.3242 2.0313 2.1129 2.4676 2.6436 3.5996 3.7093 3.9020 3.9278 6.3345 6.4087 7.6442 7.6893 8.3124 8.3162 8.4052 8.6378 20.1582 20.1976 22.0534 22.1957 22.9865 23.0753 k =-0.0314 0.0358 0.0507 ( 1201 PWs) bands (ev): -9.1729 -9.1610 1.2329 1.3345 2.0236 2.1213 2.4508 2.6613 3.5853 3.7169 3.8974 3.9283 6.3073 6.3937 7.6458 7.6996 8.3225 8.3383 8.4024 8.6672 20.1448 20.1912 22.0249 22.1732 22.9214 22.9893 k =-0.0366 0.0418 0.0592 ( 1201 PWs) bands (ev): -9.1682 -9.1544 1.2266 1.3449 2.0160 2.1298 2.4345 2.6792 3.5704 3.7237 3.8927 3.9285 6.2769 6.3740 7.6487 7.7106 8.3322 8.3658 8.4061 8.6957 20.1273 20.1801 21.9948 22.1362 22.8694 22.8979 k =-0.0418 0.0478 0.0676 ( 1193 PWs) bands (ev): -9.1626 -9.1471 1.2207 1.3555 2.0085 2.1383 2.4188 2.6973 3.5551 3.7298 3.8881 3.9285 6.2433 6.3495 7.6526 7.7224 8.3410 8.3988 8.4169 8.7229 20.1047 20.1625 21.9636 22.0859 22.8049 22.8338 k =-0.0470 0.0537 0.0761 ( 1193 PWs) bands (ev): -9.1563 -9.1390 1.2150 1.3661 2.0012 2.1469 2.4039 2.7157 3.5392 3.7348 3.8838 3.9283 6.2068 6.3203 7.6575 7.7348 8.3484 8.4351 8.4371 8.7488 20.0756 20.1367 21.9315 22.0261 22.7131 22.8139 k =-0.0523 0.0597 0.0845 ( 1193 PWs) bands (ev): -9.1491 -9.1302 1.2096 1.3766 1.9940 2.1555 2.3899 2.7345 3.5230 3.7386 3.8799 3.9279 6.1677 6.2863 7.6635 7.7478 8.3541 8.4609 8.4804 8.7735 20.0386 20.1007 21.8995 21.9629 22.6248 22.8069 k =-0.0575 0.0657 0.0930 ( 1189 PWs) bands (ev): -9.1412 -9.1206 1.2044 1.3870 1.9870 2.1641 2.3770 2.7537 3.5064 3.7411 3.8768 3.9272 6.1261 6.2480 7.6703 7.7612 8.3579 8.4941 8.5278 8.7973 19.9927 20.0527 21.8683 21.9023 22.5411 22.8089 k =-0.0627 0.0717 0.1014 ( 1189 PWs) bands (ev): -9.1325 -9.1104 1.1995 1.3971 1.9802 2.1727 2.3653 2.7735 3.4897 3.7420 3.8746 3.9264 6.0825 6.2055 7.6780 7.7749 8.3598 8.5346 8.5780 8.8213 19.9367 19.9912 21.8388 21.8495 22.4627 22.8153 k =-0.0680 0.0776 0.1099 ( 1185 PWs) bands (ev): -9.1232 -9.0996 1.1948 1.4069 1.9735 2.1812 2.3551 2.7939 3.4728 3.7413 3.8736 3.9253 6.0371 6.1592 7.6864 7.7889 8.3595 8.5823 8.6284 8.8477 19.8699 19.9154 21.8078 21.8116 22.3897 22.8204 k =-0.0732 0.0836 0.1183 ( 1187 PWs) bands (ev): -9.1131 -9.0882 1.1905 1.4163 1.9669 2.1895 2.3465 2.8150 3.4560 3.7388 3.8739 3.9240 5.9902 6.1096 7.6954 7.8029 8.3568 8.6368 8.6745 8.8805 19.7920 19.8253 21.7788 21.7863 22.3225 22.8126 k =-0.0784 0.0896 0.1268 ( 1191 PWs) bands (ev): -9.1024 -9.0763 1.1864 1.4253 1.9605 2.1975 2.3396 2.8367 3.4394 3.7347 3.8753 3.9224 5.9424 6.0571 7.7049 7.8171 8.3516 8.6980 8.7111 8.9246 19.7033 19.7219 21.7612 21.7625 22.2619 22.7634 k =-0.0836 0.0955 0.1352 ( 1191 PWs) bands (ev): -9.0911 -9.0639 1.1828 1.4337 1.9541 2.2050 2.3348 2.8592 3.4231 3.7292 3.8779 3.9206 5.8938 6.0022 7.7147 7.8311 8.3438 8.7348 8.7655 8.9831 19.6045 19.6064 21.7327 21.7572 22.2101 22.6386 k =-0.0889 0.1015 0.1437 ( 1191 PWs) bands (ev): -9.0792 -9.0510 1.1796 1.4416 1.9479 2.2116 2.3321 2.8824 3.4074 3.7224 3.8813 3.9184 5.8450 5.9455 7.7247 7.8450 8.3333 8.7465 8.8391 9.0547 19.4808 19.4965 21.6951 21.7585 22.1708 22.4624 k =-0.0941 0.1075 0.1521 ( 1191 PWs) bands (ev): -9.0668 -9.0377 1.1769 1.4490 1.9417 2.2172 2.3319 2.9063 3.3924 3.7147 3.8855 3.9159 5.7963 5.8874 7.7348 7.8586 8.3200 8.7488 8.9183 9.1364 19.3468 19.3804 21.6422 21.7562 22.1481 22.2789 k =-0.0993 0.1135 0.1606 ( 1193 PWs) bands (ev): -9.0539 -9.0240 1.1748 1.4559 1.9356 2.2216 2.3340 2.9308 3.3784 3.7061 3.8903 3.9129 5.7479 5.8285 7.7448 7.8718 8.3039 8.7438 9.0029 9.2258 19.2062 19.2576 21.5701 21.7229 22.1285 22.1438 k =-0.1045 0.1194 0.1690 ( 1195 PWs) bands (ev): -9.0406 -9.0101 1.1733 1.4624 1.9296 2.2247 2.3383 2.9558 3.3656 3.6969 3.8955 3.9096 5.7004 5.7692 7.7546 7.8845 8.2851 8.7327 9.0925 9.3215 19.0606 19.1292 21.4779 21.6154 22.0586 22.1568 k =-0.1098 0.1254 0.1775 ( 1195 PWs) bands (ev): -9.0269 -8.9959 1.1726 1.4684 1.9235 2.2267 2.3446 2.9811 3.3543 3.6873 3.9009 3.9057 5.6540 5.7100 7.7640 7.8967 8.2638 8.7164 9.1868 9.4223 18.9114 18.9964 21.3672 21.4416 22.0623 22.1841 k =-0.1150 0.1314 0.1859 ( 1195 PWs) bands (ev): -9.0129 -8.9815 1.1727 1.4742 1.9175 2.2276 2.3522 3.0067 3.3446 3.6774 3.9014 3.9066 5.6090 5.6515 7.7729 7.9082 8.2399 8.6954 9.2854 9.5276 18.7596 18.8602 21.2396 21.2403 22.1010 22.2223 k =-0.1202 0.1373 0.1944 ( 1201 PWs) bands (ev): -8.9986 -8.9669 1.1737 1.4798 1.9114 2.2277 2.3607 3.0322 3.3369 3.6673 3.8965 3.9124 5.5658 5.5940 7.7811 7.9189 8.2137 8.6699 9.3880 9.6369 18.6063 18.7216 21.0278 21.0994 22.1563 22.2683 k =-0.1254 0.1433 0.2028 ( 1201 PWs) bands (ev): -8.9840 -8.9523 1.1756 1.4852 1.9054 2.2273 2.3695 3.0574 3.3315 3.6571 3.8911 3.9183 5.5245 5.5380 7.7884 7.9287 8.1854 8.6402 9.4945 9.7497 18.4522 18.5813 20.8126 20.9468 22.2209 22.3194 k =-0.1307 0.1493 0.2113 ( 1201 PWs) bands (ev): -8.9693 -8.9376 1.1786 1.4906 1.8994 2.2263 2.3783 3.0820 3.3285 3.6470 3.8853 3.9244 5.4839 5.4855 7.7946 7.9376 8.1554 8.6067 9.6044 9.8658 18.2980 18.4402 20.5968 20.7842 22.2914 22.3727 k =-0.1359 0.1553 0.2197 ( 1201 PWs) bands (ev): -8.9544 -8.9229 1.1828 1.4961 1.8933 2.2249 2.3864 3.1055 3.3282 3.6370 3.8789 3.9306 5.4320 5.4489 7.7993 7.9453 8.1240 8.5695 9.7175 9.9847 18.1442 18.2987 20.3816 20.6135 22.3653 22.4248 k =-0.1411 0.1612 0.2282 ( 1201 PWs) bands (ev): -8.9395 -8.9083 1.1882 1.5018 1.8873 2.2231 2.3938 3.1275 3.3307 3.6273 3.8721 3.9371 5.3828 5.4148 7.8023 7.9520 8.0917 8.5289 9.8335 10.1062 17.9913 18.1574 20.1678 20.4362 22.4402 22.4718 k =-0.1464 0.1672 0.2366 ( 1201 PWs) bands (ev): -8.9245 -8.8938 1.1948 1.5077 1.8813 2.2209 2.4001 3.1474 3.3363 3.6182 3.8649 3.9437 5.3366 5.3835 7.8031 7.9573 8.0591 8.4851 9.9522 10.2301 17.8396 18.0168 19.9558 20.2538 22.5093 22.5140 k =-0.1516 0.1732 0.2451 ( 1203 PWs) bands (ev): -8.9095 -8.8795 1.2027 1.5137 1.8753 2.2183 2.4053 3.1646 3.3448 3.6098 3.8574 3.9507 5.2936 5.3550 7.8009 7.9613 8.0272 8.4384 10.0733 10.3560 17.6894 17.8771 19.7460 20.0674 22.5332 22.5835 k =-0.1568 0.1791 0.2535 ( 1203 PWs) bands (ev): -8.8946 -8.8654 1.2121 1.5201 1.8695 2.2151 2.4094 3.1786 3.3564 3.6025 3.8498 3.9581 5.2541 5.3293 7.7949 7.9639 7.9970 8.3892 10.1966 10.4836 17.5411 17.7389 19.5387 19.8782 22.5419 22.6453 k =-0.1620 0.1851 0.2620 ( 1203 PWs) bands (ev): -8.8799 -8.8516 1.2228 1.5266 1.8638 2.2112 2.4127 3.1888 3.3708 3.5966 3.8420 3.9660 5.2182 5.3064 7.7843 7.9650 7.9698 8.3377 10.3219 10.6129 17.3949 17.6023 19.3342 19.6870 22.5363 22.6957 k =-0.1673 0.1911 0.2704 ( 1203 PWs) bands (ev): -8.8653 -8.8381 1.2349 1.5334 1.8583 2.2066 2.4154 3.1946 3.3878 3.5924 3.8343 3.9743 5.1861 5.2862 7.7683 7.9464 7.9645 8.2842 10.4489 10.7433 17.2509 17.4677 19.1325 19.4947 22.5192 22.7316 k =-0.1725 0.1971 0.2789 ( 1211 PWs) bands (ev): -8.8510 -8.8250 1.2483 1.5401 1.8530 2.2009 2.4179 3.1956 3.4073 3.5900 3.8268 3.9830 5.1577 5.2687 7.7469 7.9272 7.9623 8.2292 10.5772 10.8747 17.1094 17.3352 18.9338 19.3017 22.4936 22.7520 k =-0.1777 0.2030 0.2873 ( 1211 PWs) bands (ev): -8.8370 -8.8123 1.2632 1.5469 1.8480 2.1941 2.4210 3.1916 3.4288 3.5897 3.8196 3.9921 5.1330 5.2537 7.7210 7.9117 7.9583 8.1730 10.7069 11.0069 16.9705 17.2051 18.7385 19.1089 22.4621 22.7575 k =-0.1829 0.2090 0.2958 ( 1211 PWs) bands (ev): -8.8232 -8.8000 1.2793 1.5534 1.8435 2.1859 2.4251 3.1828 3.4520 3.5913 3.8129 4.0015 5.1120 5.2411 7.6923 7.8987 7.9525 8.1161 10.8374 11.1395 16.8344 17.0775 18.5468 18.9168 22.4263 22.7503 k =-0.1882 0.2150 0.3043 ( 1211 PWs) bands (ev): -8.8099 -8.7883 1.2966 1.5595 1.8395 2.1764 2.4308 3.1695 3.4764 3.5947 3.8068 4.0108 5.0944 5.2305 7.6621 7.8870 7.9448 8.0589 10.9686 11.2721 16.7011 16.9527 18.3588 18.7258 22.3875 22.7329 k =-0.1934 0.2210 0.3127 ( 1209 PWs) bands (ev): -8.7970 -8.7771 1.3151 1.5651 1.8361 2.1656 2.4387 3.1522 3.5017 3.5997 3.8014 4.0198 5.0800 5.2219 7.6319 7.8758 7.9349 8.0021 11.1003 11.4044 16.5710 16.8307 18.1748 18.5363 22.3464 22.7074 k =-0.1986 0.2269 0.3212 ( 1207 PWs) bands (ev): -8.7845 -8.7664 1.3345 1.5697 1.8334 2.1535 2.4493 3.1314 3.5274 3.6059 3.7968 4.0283 5.0686 5.2150 7.6027 7.8643 7.9216 7.9472 11.2320 11.5360 16.4440 16.7117 17.9951 18.3490 22.3034 22.6758 k =-0.2039 0.2329 0.3296 ( 1203 PWs) bands (ev): -8.7725 -8.7564 1.3547 1.5733 1.8317 2.1404 2.4628 3.1078 3.5529 3.6133 3.7933 4.0359 5.0599 5.2094 7.5753 7.8521 7.8865 7.9132 11.3634 11.6664 16.3203 16.5958 17.8200 18.1641 22.2591 22.6393 k =-0.2091 0.2389 0.3381 ( 1189 PWs) bands (ev): -8.7611 -8.7469 1.3755 1.5754 1.8311 2.1268 2.4796 3.0820 3.5779 3.6215 3.7910 4.0423 5.0534 5.2049 7.5504 7.8340 7.8391 7.8961 11.4942 11.7952 16.2002 16.4831 17.6500 17.9824 22.2136 22.5992 k =-0.2143 0.2448 0.3465 ( 1189 PWs) bands (ev): -8.7503 -8.7382 1.3964 1.5760 1.8319 2.1128 2.4999 3.0546 3.6019 3.6306 3.7898 4.0471 5.0489 5.2012 7.5286 7.7825 7.8249 7.8779 11.6240 11.9217 16.0838 16.3737 17.4851 17.8041 22.1669 22.5561 k =-0.2195 0.2508 0.3550 ( 1189 PWs) bands (ev): -8.7401 -8.7302 1.4172 1.5747 1.8342 2.0990 2.5237 3.0259 3.6244 3.6403 3.7901 4.0501 5.0461 5.1978 7.5102 7.7334 7.8096 7.8578 11.7522 12.0452 15.9713 16.2676 17.3260 17.6298 22.1192 22.5106 k =-0.2248 0.2568 0.3634 ( 1189 PWs) bands (ev): -8.7305 -8.7228 1.4376 1.5713 1.8385 2.0858 2.5511 2.9967 3.6450 3.6508 3.7918 4.0509 5.0445 5.1946 7.4955 7.6873 7.7932 7.8356 11.8783 12.1649 15.8632 16.1649 17.1730 17.4601 22.0706 22.4634 k =-0.2300 0.2628 0.3719 ( 1185 PWs) bands (ev): -8.7216 -8.7162 1.4571 1.5658 1.8449 2.0734 2.5822 2.9671 3.6620 3.6634 3.7951 4.0495 5.0440 5.1912 7.4846 7.6448 7.7757 7.8113 12.0019 12.2799 15.7598 16.0656 17.0268 17.2959 22.0211 22.4147 k =-0.2352 0.2687 0.3803 ( 1189 PWs) bands (ev): -8.7134 -8.7103 1.4752 1.5581 1.8538 2.0623 2.6169 2.9377 3.6741 3.6793 3.7998 4.0455 5.0442 5.1874 7.4774 7.6062 7.7577 7.7847 12.1218 12.3889 15.6616 15.9697 16.8878 17.1378 21.9706 22.3649 k =-0.2404 0.2747 0.3888 ( 1189 PWs) bands (ev): -8.7059 -8.7052 1.4917 1.5482 1.8654 2.0527 2.6550 2.9088 3.6870 3.6928 3.8057 4.0389 5.0450 5.1829 7.4733 7.5721 7.7395 7.7561 12.2377 12.4907 15.5694 15.8773 16.7568 16.9868 21.9193 22.3142 k =-0.2457 0.2807 0.3972 ( 1189 PWs) bands (ev): -8.7008 -8.6992 1.5062 1.5362 1.8797 2.0447 2.6965 2.8807 3.7008 3.7040 3.8124 4.0298 5.0462 5.1774 7.4715 7.5426 7.7221 7.7254 12.3483 12.5839 15.4838 15.7882 16.6344 16.8439 21.8669 22.2628 k =-0.2509 0.2866 0.4057 ( 1189 PWs) bands (ev): -8.6972 -8.6932 1.5185 1.5223 1.8967 2.0385 2.7413 2.8535 3.7133 3.7156 3.8192 4.0182 5.0477 5.1710 7.4704 7.5180 7.6928 7.7070 12.4526 12.6666 15.4058 15.7025 16.5213 16.7103 21.8136 22.2108 k =-0.2561 0.2926 0.4141 ( 1193 PWs) bands (ev): -8.6944 -8.6880 1.5067 1.5287 1.9163 2.0339 2.7890 2.8276 3.7211 3.7314 3.8257 4.0042 5.0494 5.1634 7.4677 7.4982 7.6585 7.6964 12.5493 12.7371 15.3360 15.6203 16.4186 16.5873 21.7593 22.1583 k =-0.2613 0.2986 0.4226 ( 1189 PWs) bands (ev): -8.6923 -8.6835 1.4898 1.5368 1.9380 2.0311 2.8031 2.8395 3.7277 3.7482 3.8315 3.9882 5.0513 5.1548 7.4607 7.4828 7.6230 7.6927 12.6369 12.7937 15.2754 15.5414 16.3273 16.4765 21.7039 22.1054 k =-0.2666 0.3046 0.4310 ( 1189 PWs) bands (ev): -8.6910 -8.6798 1.4718 1.5431 1.9615 2.0299 2.7802 2.8924 3.7333 3.7659 3.8362 3.9706 5.0535 5.1452 7.4471 7.4706 7.5875 7.6979 12.7138 12.8345 15.2242 15.4661 16.2485 16.3793 21.6474 22.0522 k =-0.2718 0.3105 0.4395 ( 1189 PWs) bands (ev): -8.6904 -8.6769 1.4530 1.5477 1.9861 2.0304 2.7590 2.9474 3.7380 3.7838 3.8399 3.9525 5.0560 5.1348 7.4262 7.4588 7.5549 7.7124 12.7784 12.8582 15.1822 15.3944 16.1838 16.2972 21.5897 21.9987 k =-0.2770 0.3165 0.4479 ( 1193 PWs) bands (ev): -8.6905 -8.6748 1.4338 1.5509 2.0112 2.0322 2.7396 3.0039 3.7418 3.8007 3.8427 3.9354 5.0588 5.1239 7.3986 7.4407 7.5316 7.7352 12.8290 12.8642 15.1484 15.3266 16.1347 16.2316 21.5308 21.9450 k =-0.2823 0.3225 0.4564 ( 1191 PWs) bands (ev): -8.6913 -8.6735 1.4143 1.5531 2.0355 2.0364 2.7221 3.0613 3.7446 3.8133 3.8452 3.9234 5.0620 5.1127 7.3654 7.4103 7.5236 7.7648 12.8526 12.8642 15.1212 15.2630 16.1027 16.1837 21.4707 21.8911 k =-0.2875 0.3284 0.4648 ( 1195 PWs) bands (ev): -8.6929 -8.6729 1.3948 1.5545 2.0400 2.0610 2.7066 3.1187 3.7465 3.8158 3.8478 3.9224 5.0657 5.1016 7.3278 7.3696 7.5283 7.7996 12.8241 12.8829 15.0983 15.2037 16.0892 16.1545 21.4094 21.8371 k =-0.2927 0.3344 0.4733 ( 1195 PWs) bands (ev): -8.6951 -8.6730 1.3755 1.5552 2.0458 2.0844 2.6932 3.1750 3.7476 3.8057 3.8514 3.9358 5.0699 5.0910 7.2866 7.3231 7.5411 7.8385 12.7800 12.8844 15.0773 15.1489 16.0950 16.1443 21.3468 21.7830 k =-0.2979 0.3404 0.4817 ( 1191 PWs) bands (ev): -8.6980 -8.6739 1.3567 1.5556 2.0527 2.1061 2.6819 3.2286 3.7489 3.7872 3.8566 3.9596 5.0748 5.0812 7.2423 7.2729 7.5595 7.8805 12.7223 12.8689 15.0566 15.0985 16.1199 16.1529 21.2830 21.7290 k =-0.3032 0.3464 0.4902 ( 1191 PWs) bands (ev): -8.7014 -8.6756 1.3385 1.5556 2.0607 2.1256 2.6727 3.2773 3.7515 3.7648 3.8640 3.9898 5.0727 5.0805 7.1952 7.2199 7.5821 7.9247 12.6529 12.8370 15.0350 15.0525 16.1627 16.1799 21.2181 21.6751 k =-0.3084 0.3523 0.4986 ( 1195 PWs) bands (ev): -8.7055 -8.6779 1.3210 1.5556 2.0696 2.1425 2.6658 3.3182 3.7411 3.7575 3.8743 4.0242 5.0658 5.0871 7.1458 7.1648 7.6079 7.9705 12.5737 12.7901 15.0106 15.0123 16.2217 16.2240 21.1520 21.6215 k =-0.3136 0.3583 0.5071 ( 1191 PWs) bands (ev): -8.7101 -8.6809 1.3043 1.5555 2.0795 2.1564 2.6612 3.3485 3.7173 3.7686 3.8886 4.0619 5.0610 5.0947 7.0943 7.1078 7.6363 8.0173 12.4867 12.7297 14.9725 14.9886 16.2838 16.2946 21.0849 21.5682 k =-0.3188 0.3643 0.5155 ( 1191 PWs) bands (ev): -8.7152 -8.6845 1.2885 1.5555 2.0902 2.1670 2.6589 3.3663 3.6940 3.7851 3.9084 4.1024 5.0587 5.1036 7.0408 7.0490 7.6667 8.0645 12.3934 12.6578 14.9380 14.9644 16.3577 16.3791 21.0170 21.5155 k =-0.3241 0.3702 0.5240 ( 1187 PWs) bands (ev): -8.7209 -8.6888 1.2738 1.5557 2.1018 2.1740 2.6589 3.3712 3.6719 3.8050 3.9355 4.1451 5.0595 5.1140 6.9856 6.9888 7.6986 8.1117 12.2953 12.5761 14.9066 14.9403 16.4439 16.4728 20.9483 21.4637 k =-0.3293 0.3762 0.5324 ( 1187 PWs) bands (ev): -8.7269 -8.6936 1.2600 1.5561 2.1141 2.1775 2.6613 3.3650 3.6512 3.8251 3.9711 4.1897 5.0638 5.1262 6.9272 6.9288 7.7313 8.1583 12.1936 12.4865 14.8783 14.9167 16.5407 16.5739 20.8792 21.4128 k =-0.3345 0.3822 0.5409 ( 1187 PWs) bands (ev): -8.7334 -8.6990 1.2473 1.5566 2.1271 2.1775 2.6658 3.3500 3.6323 3.8436 4.0145 4.2355 5.0724 5.1406 6.8644 6.8705 7.7646 8.2039 12.0894 12.3906 14.8528 14.8941 16.6464 16.6804 20.8097 21.3634 k =-0.3398 0.3882 0.5493 ( 1187 PWs) bands (ev): -8.7403 -8.7049 1.2357 1.5574 2.1406 2.1742 2.6723 3.3285 3.6154 3.8602 4.0629 4.2819 5.0860 5.1575 6.8005 6.8110 7.7979 8.2482 11.9835 12.2899 14.8298 14.8728 16.7597 16.7909 20.7404 21.3156 k =-0.3398 0.3882 0.5493 ( 1187 PWs) bands (ev): -8.7403 -8.7049 1.2357 1.5574 2.1406 2.1742 2.6723 3.3285 3.6154 3.8602 4.0629 4.2819 5.0860 5.1575 6.8005 6.8110 7.7979 8.2482 11.9835 12.2899 14.8298 14.8728 16.7597 16.7909 20.7404 21.3156 k =-0.3343 0.3819 0.5572 ( 1187 PWs) bands (ev): -8.7403 -8.7049 1.2364 1.5573 2.1407 2.1749 2.6722 3.3271 3.6152 3.8598 4.0651 4.2830 5.0864 5.1575 6.8008 6.8114 7.7951 8.2457 11.9848 12.2903 14.8307 14.8736 16.7611 16.7922 20.7299 21.3033 k =-0.3288 0.3756 0.5650 ( 1183 PWs) bands (ev): -8.7403 -8.7049 1.2384 1.5570 2.1408 2.1771 2.6718 3.3230 3.6145 3.8586 4.0717 4.2864 5.0876 5.1574 6.8014 6.8124 7.7866 8.2383 11.9885 12.2916 14.8333 14.8761 16.7653 16.7960 20.6992 21.2671 k =-0.3233 0.3693 0.5728 ( 1189 PWs) bands (ev): -8.7402 -8.7049 1.2417 1.5565 2.1409 2.1807 2.6712 3.3162 3.6134 3.8567 4.0823 4.2919 5.0896 5.1573 6.8026 6.8141 7.7724 8.2259 11.9945 12.2936 14.8376 14.8803 16.7721 16.8022 20.6494 21.2089 k =-0.3178 0.3631 0.5806 ( 1189 PWs) bands (ev): -8.7402 -8.7048 1.2464 1.5558 2.1411 2.1857 2.6703 3.3071 3.6120 3.8544 4.0965 4.2994 5.0925 5.1571 6.8042 6.8165 7.7529 8.2089 12.0026 12.2963 14.8437 14.8863 16.7817 16.8109 20.5829 21.1316 k =-0.3123 0.3568 0.5885 ( 1186 PWs) bands (ev): -8.7402 -8.7048 1.2523 1.5549 2.1414 2.1920 2.6693 3.2959 3.6102 3.8518 4.1137 4.3088 5.0962 5.1570 6.8062 6.8195 7.7282 8.1873 12.0127 12.2993 14.8515 14.8939 16.7938 16.8221 20.5021 21.0382 k =-0.3068 0.3505 0.5963 ( 1188 PWs) bands (ev): -8.7401 -8.7047 1.2595 1.5538 2.1418 2.1997 2.6681 3.2828 3.6083 3.8490 4.1336 4.3200 5.1009 5.1569 6.8087 6.8232 7.6985 8.1614 12.0243 12.3024 14.8611 14.9032 16.8084 16.8355 20.4096 20.9322 k =-0.3013 0.3443 0.6041 ( 1190 PWs) bands (ev): -8.7401 -8.7047 1.2679 1.5525 2.1423 2.2087 2.6669 3.2682 3.6063 3.8461 4.1556 4.3328 5.1066 5.1569 6.8117 6.8275 7.6642 8.1314 12.0372 12.3054 14.8724 14.9142 16.8254 16.8513 20.3082 20.8165 k =-0.2958 0.3380 0.6120 ( 1188 PWs) bands (ev): -8.7401 -8.7046 1.2775 1.5511 2.1429 2.2188 2.6656 3.2524 3.6044 3.8432 4.1793 4.3469 5.1133 5.1571 6.8150 6.8325 7.6257 8.0976 12.0508 12.3079 14.8854 14.9269 16.8444 16.8692 20.2004 20.6940 k =-0.2903 0.3317 0.6198 ( 1186 PWs) bands (ev): -8.7400 -8.7046 1.2882 1.5494 2.1438 2.2300 2.6644 3.2356 3.6025 3.8402 4.2042 4.3622 5.1211 5.1574 6.8188 6.8381 7.5834 8.0604 12.0648 12.3096 14.9001 14.9413 16.8654 16.8891 20.0884 20.5669 k =-0.2849 0.3254 0.6276 ( 1186 PWs) bands (ev): -8.7400 -8.7045 1.3000 1.5475 2.1448 2.2422 2.6634 3.2181 3.6008 3.8372 4.2300 4.3783 5.1302 5.1581 6.8230 6.8443 7.5375 8.0202 12.0787 12.3101 14.9166 14.9574 16.8879 16.9108 19.9744 20.4376 k =-0.2794 0.3192 0.6354 ( 1186 PWs) bands (ev): -8.7399 -8.7044 1.3128 1.5455 2.1460 2.2551 2.6628 3.2001 3.5994 3.8341 4.2563 4.3951 5.1405 5.1592 6.8276 6.8510 7.4886 7.9771 12.0922 12.3091 14.9348 14.9753 16.9116 16.9341 19.8602 20.3076 k =-0.2739 0.3129 0.6433 ( 1184 PWs) bands (ev): -8.7399 -8.7044 1.3265 1.5432 2.1475 2.2686 2.6626 3.1817 3.5984 3.8309 4.2827 4.4122 5.1522 5.1608 6.8326 6.8584 7.4371 7.9317 12.1046 12.3063 14.9546 14.9949 16.9361 16.9586 19.7477 20.1787 k =-0.2684 0.3066 0.6511 ( 1186 PWs) bands (ev): -8.7399 -8.7044 1.3411 1.5408 2.1493 2.2824 2.6632 3.1632 3.5978 3.8276 4.3091 4.4294 5.1630 5.1654 6.8379 6.8662 7.3834 7.8843 12.1157 12.3012 14.9762 15.0162 16.9606 16.9841 19.6385 20.0525 k =-0.2629 0.3004 0.6589 ( 1184 PWs) bands (ev): -8.7399 -8.7044 1.3565 1.5383 2.1515 2.2963 2.6647 3.1447 3.5977 3.8242 4.3349 4.4464 5.1660 5.1802 6.8435 6.8746 7.3279 7.8352 12.1249 12.2937 14.9994 15.0393 16.9846 17.0099 19.5343 19.9302 k =-0.2574 0.2941 0.6667 ( 1187 PWs) bands (ev): -8.7400 -8.7044 1.3725 1.5356 2.1540 2.3098 2.6675 3.1262 3.5980 3.8206 4.3601 4.4629 5.1698 5.1966 6.8493 6.8834 7.2712 7.7849 12.1320 12.2834 15.0243 15.0642 17.0072 17.0356 19.4365 19.8132 k =-0.2519 0.2878 0.6746 ( 1185 PWs) bands (ev): -8.7400 -8.7044 1.3892 1.5328 2.1569 2.3226 2.6719 3.1079 3.5989 3.8168 4.3843 4.4786 5.1747 5.2146 6.8553 6.8928 7.2138 7.7336 12.1366 12.2702 15.0508 15.0908 17.0277 17.0606 19.3467 19.7027 k =-0.2464 0.2815 0.6824 ( 1187 PWs) bands (ev): -8.7401 -8.7045 1.4063 1.5299 2.1603 2.3345 2.6782 3.0899 3.6004 3.8129 4.4073 4.4933 5.1806 5.2342 6.8612 6.9025 7.1563 7.6819 12.1383 12.2538 15.0790 15.1192 17.0450 17.0841 19.2664 19.6001 k =-0.2409 0.2753 0.6902 ( 1185 PWs) bands (ev): -8.7402 -8.7046 1.4238 1.5270 2.1641 2.3448 2.6867 3.0723 3.6025 3.8087 4.4289 4.5066 5.1878 5.2555 6.8666 6.9126 7.0995 7.6300 12.1370 12.2341 15.1087 15.1494 17.0582 17.1053 19.1969 19.5065 k =-0.2355 0.2690 0.6980 ( 1185 PWs) bands (ev): -8.7404 -8.7047 1.4416 1.5240 2.1685 2.3535 2.6975 3.0550 3.6051 3.8043 4.4490 4.5184 5.1963 5.2783 6.8705 6.9231 7.0447 7.5783 12.1323 12.2110 15.1400 15.1813 17.0665 17.1233 19.1395 19.4231 k =-0.2300 0.2627 0.7059 ( 1187 PWs) bands (ev): -8.7406 -8.7049 1.4595 1.5210 2.1734 2.3603 2.7109 3.0382 3.6084 3.7996 4.4674 4.5283 5.2061 5.3025 6.8703 6.9339 6.9952 7.5273 12.1243 12.1845 15.1728 15.2151 17.0690 17.1372 19.0950 19.3511 k =-0.2245 0.2565 0.7137 ( 1189 PWs) bands (ev): -8.7408 -8.7052 1.4774 1.5180 2.1789 2.3651 2.7269 3.0219 3.6122 3.7947 4.4842 4.5362 5.2174 5.3278 6.8588 6.9449 6.9584 7.4772 12.1127 12.1545 15.2070 15.2506 17.0652 17.1462 19.0643 19.2915 k =-0.2190 0.2502 0.7215 ( 1189 PWs) bands (ev): -8.7411 -8.7055 1.4953 1.5151 2.1849 2.3679 2.7452 3.0061 3.6166 3.7896 4.4991 4.5420 5.2299 5.3541 6.8284 6.9425 6.9560 7.4285 12.0975 12.1212 15.2427 15.2879 17.0550 17.1497 19.0475 19.2450 k =-0.2135 0.2439 0.7293 ( 1188 PWs) bands (ev): -8.7415 -8.7058 1.5122 1.5130 2.1915 2.3688 2.7657 2.9909 3.6216 3.7842 4.5124 4.5456 5.2436 5.3809 6.7854 6.9414 6.9671 7.3816 12.0788 12.0846 15.2798 15.3270 17.0387 17.1472 19.0446 19.2121 k =-0.2080 0.2376 0.7372 ( 1185 PWs) bands (ev): -8.7419 -8.7062 1.5093 1.5304 2.1987 2.3681 2.7881 2.9764 3.6271 3.7786 4.5239 4.5470 5.2585 5.4080 6.7390 6.9466 6.9781 7.3370 12.0448 12.0566 15.3181 15.3678 17.0168 17.1387 19.0548 19.1930 k =-0.2025 0.2314 0.7450 ( 1183 PWs) bands (ev): -8.7424 -8.7067 1.5066 1.5473 2.2064 2.3659 2.8121 2.9624 3.6332 3.7727 4.5337 4.5460 5.2742 5.4348 6.6931 6.9547 6.9886 7.2952 12.0022 12.0309 15.3577 15.4103 16.9902 17.1242 19.0774 19.1873 k =-0.1970 0.2251 0.7528 ( 1185 PWs) bands (ev): -8.7429 -8.7072 1.5039 1.5638 2.2145 2.3625 2.8372 2.9491 3.6398 3.7666 4.5419 4.5429 5.2906 5.4608 6.6495 6.9642 6.9982 7.2570 11.9569 12.0020 15.3983 15.4546 16.9599 17.1042 19.1111 19.1944 k =-0.1915 0.2188 0.7607 ( 1187 PWs) bands (ev): -8.7435 -8.7078 1.5014 1.5796 2.2230 2.3581 2.8632 2.9366 3.6468 3.7604 4.5376 4.5485 5.3074 5.4854 6.6092 6.9747 7.0062 7.2233 11.9092 11.9701 15.4399 15.5005 16.9271 17.0796 19.1547 19.2135 k =-0.1915 0.2188 0.7607 ( 1187 PWs) bands (ev): -8.7435 -8.7078 1.5014 1.5796 2.2230 2.3581 2.8632 2.9366 3.6468 3.7604 4.5376 4.5485 5.3074 5.4854 6.6092 6.9747 7.0062 7.2233 11.9092 11.9701 15.4399 15.5005 16.9271 17.0796 19.1547 19.2135 k =-0.1839 0.2101 0.7607 ( 1189 PWs) bands (ev): -8.7417 -8.7068 1.5179 1.6052 2.2328 2.3635 2.8815 2.9535 3.6720 3.7630 4.5358 4.5479 5.2793 5.4521 6.5623 7.0033 7.0156 7.1780 11.8462 11.9221 15.5038 15.5647 16.9016 17.0455 19.2216 19.2703 k =-0.1762 0.2013 0.7607 ( 1189 PWs) bands (ev): -8.7402 -8.7060 1.5353 1.6301 2.2447 2.3692 2.8994 2.9714 3.7000 3.7666 4.5342 4.5472 5.2510 5.4175 6.5169 7.0018 7.0307 7.1538 11.7772 11.8668 15.5702 15.6314 16.8801 17.0142 19.2937 19.3342 k =-0.1686 0.1926 0.7607 ( 1191 PWs) bands (ev): -8.7388 -8.7056 1.5535 1.6540 2.2587 2.3754 2.9168 2.9903 3.7306 3.7713 4.5326 4.5464 5.2226 5.3816 6.4734 6.9628 7.0568 7.1531 11.7030 11.8050 15.6388 15.7005 16.8625 16.9860 19.3705 19.4042 k =-0.1609 0.1838 0.7607 ( 1191 PWs) bands (ev): -8.7377 -8.7055 1.5723 1.6766 2.2751 2.3823 2.9335 3.0100 3.7637 3.7772 4.5311 4.5453 5.1939 5.3445 6.4320 6.9102 7.0815 7.1645 11.6246 11.7374 15.7092 15.7717 16.8488 16.9609 19.4512 19.4795 k =-0.1532 0.1751 0.7607 ( 1188 PWs) bands (ev): -8.7368 -8.7056 1.5916 1.6978 2.2937 2.3901 2.9495 3.0304 3.7843 3.7990 4.5296 4.5441 5.1649 5.3063 6.3929 6.8523 7.1046 7.1797 11.5429 11.6649 15.7811 15.8447 16.8389 16.9393 19.5353 19.5591 k =-0.1456 0.1663 0.7607 ( 1186 PWs) bands (ev): -8.7361 -8.7060 1.6110 1.7173 2.3144 2.3989 2.9645 3.0513 3.7928 3.8364 4.5284 4.5426 5.1358 5.2673 6.3560 6.7923 7.1262 7.1956 11.4590 11.5884 15.8540 15.9189 16.8328 16.9213 19.6218 19.6421 k =-0.1379 0.1576 0.7607 ( 1182 PWs) bands (ev): -8.7356 -8.7067 1.6305 1.7350 2.3371 2.4090 2.9788 3.0725 3.8026 3.8753 4.5272 4.5409 5.1065 5.2279 6.3212 6.7318 7.1464 7.2112 11.3737 11.5088 15.9271 15.9937 16.8307 16.9071 19.7101 19.7276 k =-0.1302 0.1488 0.7607 ( 1182 PWs) bands (ev): -8.7352 -8.7075 1.6497 1.7510 2.3616 2.4203 2.9923 3.0938 3.8139 3.9155 4.5261 4.5388 5.0770 5.1882 6.2886 6.6714 7.1650 7.2258 11.2879 11.4269 15.9996 16.0682 16.8330 16.8972 19.7994 19.8148 k =-0.1226 0.1400 0.7607 ( 1182 PWs) bands (ev): -8.7350 -8.7086 1.6686 1.7652 2.3874 2.4331 3.0050 3.1149 3.8267 3.9564 4.5252 4.5364 5.0476 5.1489 6.2578 6.6116 7.1823 7.2393 11.2025 11.3436 16.0706 16.1415 16.8401 16.8922 19.8890 19.9026 k =-0.1149 0.1313 0.7607 ( 1184 PWs) bands (ev): -8.7348 -8.7098 1.6868 1.7777 2.4143 2.4472 3.0171 3.1355 3.8412 3.9974 4.5245 4.5336 5.0184 5.1104 6.2289 6.5527 7.1981 7.2516 11.1183 11.2599 16.1388 16.2121 16.8526 16.8928 19.9779 19.9902 k =-0.1073 0.1225 0.7607 ( 1184 PWs) bands (ev): -8.7347 -8.7111 1.7043 1.7886 2.4418 2.4627 3.0287 3.1554 3.8573 4.0380 4.5239 4.5304 4.9895 5.0733 6.2017 6.4950 7.2127 7.2626 11.0362 11.1765 16.2029 16.2784 16.8713 16.9003 20.0653 20.0766 k =-0.0996 0.1138 0.7607 ( 1184 PWs) bands (ev): -8.7347 -8.7125 1.7208 1.7981 2.4694 2.4795 3.0399 3.1741 3.8751 4.0774 4.5235 4.5266 4.9614 5.0379 6.1759 6.4388 7.2261 7.2725 10.9567 11.0942 16.2616 16.3385 16.8969 16.9158 20.1504 20.1608 k =-0.0919 0.1050 0.7607 ( 1180 PWs) bands (ev): -8.7347 -8.7140 1.7363 1.8063 2.4967 2.4975 3.0509 3.1914 3.8945 4.1149 4.5223 4.5231 4.9344 5.0050 6.1515 6.3844 7.2382 7.2811 10.8807 11.0139 16.3136 16.3906 16.9299 16.9404 20.2322 20.2418 k =-0.0843 0.0963 0.7607 ( 1180 PWs) bands (ev): -8.7347 -8.7156 1.7507 1.8132 2.5163 2.5233 3.0618 3.2069 3.9156 4.1496 4.5174 4.5228 4.9091 4.9749 6.1283 6.3321 7.2493 7.2887 10.8089 10.9362 16.3583 16.4334 16.9702 16.9746 20.3095 20.3183 k =-0.0766 0.0875 0.7607 ( 1177 PWs) bands (ev): -8.7347 -8.7172 1.7638 1.8191 2.5359 2.5487 3.0727 3.2202 3.9383 4.1808 4.5120 4.5222 4.8859 4.9480 6.1065 6.2822 7.2593 7.2951 10.7418 10.8619 16.3955 16.4668 17.0170 17.0175 20.3813 20.3892 k =-0.0690 0.0788 0.7607 ( 1177 PWs) bands (ev): -8.7346 -8.7188 1.7757 1.8240 2.5557 2.5726 3.0838 3.2311 3.9625 4.2076 4.5063 4.5211 4.8658 4.9246 6.0859 6.2351 7.2683 7.3006 10.6800 10.7918 16.4258 16.4914 17.0675 17.0689 20.4463 20.4531 k =-0.0613 0.0700 0.7607 ( 1179 PWs) bands (ev): -8.7346 -8.7204 1.7864 1.8280 2.5753 2.5946 3.0952 3.2391 3.9879 4.2294 4.5004 4.5191 4.8492 4.9048 6.0666 6.1911 7.2763 7.3051 10.6240 10.7263 16.4501 16.5089 17.1219 17.1238 20.5030 20.5087 k =-0.0536 0.0613 0.7607 ( 1179 PWs) bands (ev): -8.7345 -8.7220 1.7959 1.8312 2.5945 2.6145 3.1071 3.2443 4.0143 4.2456 4.4945 4.5159 4.8368 4.8885 6.0488 6.1506 7.2835 7.3088 10.5743 10.6661 16.4694 16.5208 17.1779 17.1795 20.5503 20.5545 k =-0.0460 0.0525 0.7607 ( 1177 PWs) bands (ev): -8.7342 -8.7235 1.8043 1.8336 2.6126 2.6319 3.1195 3.2463 4.0416 4.2558 4.4891 4.5113 4.8288 4.8754 6.0328 6.1141 7.2899 7.3116 10.5314 10.6118 16.4849 16.5286 17.2326 17.2337 20.5866 20.5893 k =-0.0383 0.0438 0.7607 ( 1177 PWs) bands (ev): -8.7340 -8.7250 1.8115 1.8353 2.6291 2.6467 3.1325 3.2452 4.0693 4.2599 4.4843 4.5055 4.8248 4.8652 6.0188 6.0820 7.2955 7.3135 10.4957 10.5638 16.4972 16.5333 17.2837 17.2842 20.6115 20.6126 k =-0.0306 0.0350 0.7607 ( 1177 PWs) bands (ev): -8.7336 -8.7264 1.8177 1.8363 2.6438 2.6587 3.1460 3.2412 4.0972 4.2581 4.4805 4.4990 4.8242 4.8572 6.0072 6.0544 7.3003 7.3148 10.4673 10.5226 16.5071 16.5357 17.3288 17.3289 20.6252 20.6253 k =-0.0230 0.0263 0.7607 ( 1175 PWs) bands (ev): -8.7331 -8.7276 1.8229 1.8366 2.6561 2.6677 3.1600 3.2345 4.1248 4.2506 4.4780 4.4925 4.8260 4.8510 5.9985 6.0319 7.3045 7.3153 10.4466 10.4885 16.5151 16.5364 17.3660 17.3661 20.6295 20.6303 k =-0.0153 0.0175 0.7607 ( 1174 PWs) bands (ev): -8.7324 -8.7288 1.8272 1.8362 2.6657 2.6737 3.1742 3.2254 4.1516 4.2380 4.4767 4.4867 4.8292 4.8459 5.9932 6.0144 7.3079 7.3152 10.4337 10.4619 16.5216 16.5357 17.3937 17.3940 20.6287 20.6298 k =-0.0077 0.0088 0.7607 ( 1176 PWs) bands (ev): -8.7317 -8.7299 1.8306 1.8351 2.6724 2.6764 3.1882 3.2143 4.1770 4.2210 4.4770 4.4820 4.8331 4.8415 5.9917 6.0019 7.3107 7.3143 10.4288 10.4430 16.5267 16.5338 17.4110 17.4111 20.6267 20.6273 k = 0.0000 0.0000 0.7607 ( 1176 PWs) bands (ev): -8.7309 -8.7309 1.8332 1.8332 2.6760 2.6760 3.2017 3.2017 4.2004 4.2004 4.4787 4.4787 4.8373 4.8373 5.9944 5.9944 7.3128 7.3128 10.4319 10.4319 16.5308 16.5308 17.4168 17.4168 20.6259 20.6259 k = 0.0000 0.0000 0.7607 ( 1176 PWs) bands (ev): -8.7309 -8.7309 1.8332 1.8332 2.6760 2.6760 3.2017 3.2017 4.2004 4.2004 4.4787 4.4787 4.8373 4.8373 5.9944 5.9944 7.3128 7.3128 10.4319 10.4319 16.5308 16.5308 17.4168 17.4168 20.6259 20.6259 k = 0.0086 0.0075 0.7607 ( 1176 PWs) bands (ev): -8.7313 -8.7304 1.8230 1.8438 2.6692 2.6822 3.1875 3.2163 4.1918 4.2084 4.4665 4.4916 4.8371 4.8374 5.9875 5.9963 7.3026 7.3269 10.4292 10.4392 16.5297 16.5324 17.4070 17.4236 20.4967 20.7552 k = 0.0172 0.0151 0.7607 ( 1174 PWs) bands (ev): -8.7318 -8.7298 1.8131 1.8548 2.6620 2.6878 3.1736 3.2312 4.1829 4.2154 4.4553 4.5049 4.8369 4.8376 5.9756 5.9931 7.2963 7.3447 10.4313 10.4511 16.5293 16.5348 17.3943 17.4273 20.3676 20.8844 k = 0.0259 0.0226 0.7607 ( 1176 PWs) bands (ev): -8.7321 -8.7292 1.8036 1.8660 2.6543 2.6927 3.1601 3.2463 4.1737 4.2211 4.4455 4.5184 4.8367 4.8379 5.9591 5.9850 7.2938 7.3657 10.4379 10.4675 16.5293 16.5380 17.3788 17.4277 20.2384 20.9111 k = 0.0345 0.0302 0.7607 ( 1180 PWs) bands (ev): -8.7324 -8.7285 1.7944 1.8775 2.6463 2.6969 3.1469 3.2617 4.1646 4.2252 4.4374 4.5319 4.8365 4.8381 5.9384 5.9723 7.2948 7.3896 10.4493 10.4882 16.5297 16.5419 17.3610 17.4250 20.1090 20.7969 k = 0.0431 0.0377 0.7607 ( 1180 PWs) bands (ev): -8.7327 -8.7278 1.7857 1.8892 2.6380 2.7003 3.1343 3.2773 4.1555 4.2271 4.4315 4.5451 4.8363 4.8384 5.9141 5.9554 7.2990 7.4159 10.4652 10.5131 16.5303 16.5467 17.3412 17.4194 19.9794 20.6793 k = 0.0517 0.0453 0.7607 ( 1178 PWs) bands (ev): -8.7329 -8.7271 1.7773 1.9012 2.6295 2.7029 3.1221 3.2930 4.1467 4.2267 4.4281 4.5580 4.8361 4.8388 5.8868 5.9350 7.3059 7.4439 10.4855 10.5420 16.5310 16.5524 17.3196 17.4110 19.8498 20.5589 k = 0.0603 0.0528 0.7607 ( 1176 PWs) bands (ev): -8.7331 -8.7263 1.7694 1.9133 2.6208 2.7046 3.1105 3.3089 4.1381 4.2237 4.4273 4.5703 4.8358 4.8393 5.8571 5.9116 7.3149 7.4733 10.5102 10.5746 16.5315 16.5590 17.2968 17.4002 19.7202 20.4361 k = 0.0690 0.0604 0.7607 ( 1180 PWs) bands (ev): -8.7332 -8.7256 1.7619 1.9256 2.6121 2.7054 3.0994 3.3250 4.1300 4.2183 4.4289 4.5821 4.8355 4.8398 5.8255 5.8858 7.3257 7.5033 10.5389 10.6106 16.5317 16.5665 17.2731 17.3874 19.5906 20.3112 k = 0.0776 0.0679 0.7607 ( 1182 PWs) bands (ev): -8.7333 -8.7248 1.7548 1.9379 2.6034 2.7054 3.0889 3.3411 4.1222 4.2107 4.4327 4.5930 4.8352 4.8404 5.7927 5.8583 7.3376 7.5337 10.5716 10.6498 16.5312 16.5750 17.2489 17.3730 19.4616 20.1847 k = 0.0862 0.0755 0.7607 ( 1182 PWs) bands (ev): -8.7333 -8.7239 1.7482 1.9504 2.5948 2.7044 3.0790 3.3572 4.1148 4.2012 4.4383 4.6031 4.8348 4.8412 5.7591 5.8296 7.3503 7.5639 10.6078 10.6917 16.5298 16.5845 17.2247 17.3579 19.3331 20.0570 k = 0.0948 0.0830 0.7607 ( 1180 PWs) bands (ev): -8.7333 -8.7231 1.7420 1.9628 2.5864 2.7024 3.0697 3.3734 4.1079 4.1904 4.4452 4.6122 4.8343 4.8420 5.7253 5.8003 7.3634 7.5937 10.6473 10.7360 16.5272 16.5948 17.2009 17.3425 19.2055 19.9284 k = 0.1034 0.0905 0.7607 ( 1180 PWs) bands (ev): -8.7333 -8.7222 1.7362 1.9752 2.5783 2.6995 3.0611 3.3896 4.1016 4.1784 4.4530 4.6203 4.8338 4.8430 5.6918 5.7707 7.3766 7.6227 10.6896 10.7823 16.5230 16.6061 17.1776 17.3279 19.0792 19.7996 k = 0.1121 0.0981 0.7607 ( 1182 PWs) bands (ev): -8.7332 -8.7214 1.7308 1.9874 2.5706 2.6957 3.0531 3.4056 4.0957 4.1657 4.4614 4.6273 4.8332 4.8440 5.6590 5.7413 7.3895 7.6506 10.7345 10.8300 16.5170 16.6181 17.1552 17.3150 18.9545 19.6710 k = 0.1207 0.1056 0.7607 ( 1180 PWs) bands (ev): -8.7331 -8.7206 1.7258 1.9995 2.5634 2.6910 3.0458 3.4216 4.0903 4.1525 4.4702 4.6332 4.8326 4.8451 5.6273 5.7125 7.4020 7.6773 10.7813 10.8786 16.5090 16.6307 17.1338 17.3047 18.8318 19.5431 k = 0.1293 0.1132 0.7607 ( 1182 PWs) bands (ev): -8.7330 -8.7198 1.7213 2.0113 2.5567 2.6854 3.0391 3.4374 4.0854 4.1390 4.4790 4.6380 4.8319 4.8462 5.5969 5.6845 7.4138 7.7026 10.8297 10.9277 16.4990 16.6438 17.1136 17.2978 18.7115 19.4164 k = 0.1379 0.1207 0.7607 ( 1182 PWs) bands (ev): -8.7329 -8.7190 1.7171 2.0228 2.5506 2.6791 3.0330 3.4529 4.0810 4.1255 4.4878 4.6418 4.8312 4.8472 5.5683 5.6577 7.4250 7.7263 10.8790 10.9766 16.4869 16.6569 17.0951 17.2953 18.5940 19.2914 k = 0.1466 0.1283 0.7607 ( 1182 PWs) bands (ev): -8.7327 -8.7182 1.7133 2.0338 2.5453 2.6720 3.0276 3.4681 4.0770 4.1120 4.4962 4.6446 4.8303 4.8483 5.5417 5.6323 7.4354 7.7484 10.9287 11.0248 16.4731 16.6697 17.0789 17.2974 18.4799 19.1687 k = 0.1552 0.1358 0.7607 ( 1184 PWs) bands (ev): -8.7326 -8.7175 1.7099 2.0444 2.5408 2.6643 3.0227 3.4829 4.0733 4.0989 4.5041 4.6465 4.8294 4.8492 5.5171 5.6084 7.4449 7.7688 10.9783 11.0716 16.4577 16.6814 17.0657 17.3043 18.3696 19.0487 k = 0.1638 0.1434 0.7607 ( 1182 PWs) bands (ev): -8.7324 -8.7168 1.7068 2.0544 2.5372 2.6561 3.0184 3.4972 4.0695 4.0866 4.5116 4.6476 4.8285 4.8500 5.4948 5.5862 7.4535 7.7874 11.0270 11.1165 16.4412 16.6915 17.0567 17.3160 18.2637 18.9319 k = 0.1724 0.1509 0.7607 ( 1182 PWs) bands (ev): -8.7322 -8.7161 1.7041 2.0637 2.5346 2.6475 3.0147 3.5109 4.0646 4.0764 4.5183 4.6481 4.8276 4.8507 5.4748 5.5658 7.4613 7.8042 11.0743 11.1588 16.4241 16.6992 17.0531 17.3318 18.1630 18.8189 k = 0.1810 0.1585 0.7607 ( 1182 PWs) bands (ev): -8.7321 -8.7155 1.7017 2.0723 2.5329 2.6385 3.0114 3.5239 4.0564 4.0704 4.5244 4.6481 4.8266 4.8512 5.4572 5.5474 7.4681 7.8193 11.1195 11.1979 16.4069 16.7038 17.0560 17.3509 18.0683 18.7103 k = 0.1897 0.1660 0.7607 ( 1184 PWs) bands (ev): -8.7320 -8.7150 1.6997 2.0801 2.5323 2.6294 3.0086 3.5359 4.0464 4.0674 4.5296 4.6478 4.8256 4.8516 5.4420 5.5310 7.4741 7.8325 11.1620 11.2332 16.3903 16.7053 17.0659 17.3719 17.9809 18.6067 k = 0.1983 0.1735 0.7607 ( 1184 PWs) bands (ev): -8.7318 -8.7146 1.6979 2.0869 2.5327 2.6203 3.0062 3.5469 4.0365 4.0655 4.5341 4.6473 4.8247 4.8519 5.4290 5.5167 7.4792 7.8439 11.2012 11.2643 16.3746 16.7040 17.0830 17.3925 17.9027 18.5090 k = 0.2069 0.1811 0.7607 ( 1182 PWs) bands (ev): -8.7317 -8.7141 1.6965 2.0928 2.5342 2.6113 3.0042 3.5566 4.0276 4.0642 4.5377 4.6467 4.8239 4.8520 5.4183 5.5045 7.4835 7.8536 11.2364 11.2905 16.3605 16.7007 17.1068 17.4090 17.8369 18.4182 k = 0.2155 0.1886 0.7607 ( 1188 PWs) bands (ev): -8.7316 -8.7138 1.6953 2.0977 2.5364 2.6026 3.0026 3.5649 4.0198 4.0633 4.5406 4.6461 4.8231 4.8521 5.4097 5.4945 7.4870 7.8615 11.2672 11.3115 16.3483 16.6964 17.1366 17.4159 17.7878 18.3357 k = 0.2241 0.1962 0.7607 ( 1186 PWs) bands (ev): -8.7315 -8.7135 1.6944 2.1016 2.5393 2.5946 3.0014 3.5716 4.0135 4.0626 4.5427 4.6456 4.8225 4.8522 5.4031 5.4867 7.4896 7.8676 11.2930 11.3269 16.3384 16.6919 17.1716 17.4080 17.7594 18.2638 k = 0.2328 0.2037 0.7607 ( 1186 PWs) bands (ev): -8.7315 -8.7134 1.6938 2.1043 2.5425 2.5878 3.0005 3.5765 4.0088 4.0621 4.5442 4.6452 4.8220 4.8522 5.3985 5.4811 7.4915 7.8720 11.3134 11.3364 16.3311 16.6882 17.2104 17.3841 17.7500 18.2061 k = 0.2414 0.2113 0.7607 ( 1188 PWs) bands (ev): -8.7315 -8.7132 1.6934 2.1060 2.5452 2.5829 3.0000 3.5795 4.0059 4.0618 4.5450 4.6450 4.8217 4.8522 5.3958 5.4778 7.4926 7.8746 11.3280 11.3400 16.3266 16.6857 17.2503 17.3501 17.7514 18.1676 k = 0.2500 0.2188 0.7607 ( 1184 PWs) bands (ev): -8.7314 -8.7132 1.6933 2.1066 2.5463 2.5810 2.9999 3.5806 4.0050 4.0618 4.5452 4.6449 4.8216 4.8522 5.3949 5.4767 7.4930 7.8755 11.3353 11.3388 16.3251 16.6849 17.2762 17.3257 17.7533 18.1540 k = 0.2500 0.2188 0.7607 ( 1184 PWs) bands (ev): -8.7314 -8.7132 1.6933 2.1066 2.5463 2.5810 2.9999 3.5806 4.0050 4.0618 4.5452 4.6449 4.8216 4.8522 5.3949 5.4767 7.4930 7.8755 11.3353 11.3388 16.3251 16.6849 17.2762 17.3257 17.7533 18.1540 k = 0.2444 0.2252 0.7527 ( 1188 PWs) bands (ev): -8.7314 -8.7132 1.6930 2.1061 2.5457 2.5799 2.9996 3.5790 4.0026 4.0611 4.5474 4.6438 4.8176 4.8499 5.4000 5.4820 7.4944 7.8763 11.3378 11.3413 16.3165 16.6651 17.2846 17.3260 17.7662 18.1638 k = 0.2389 0.2315 0.7448 ( 1190 PWs) bands (ev): -8.7312 -8.7130 1.6921 2.1046 2.5437 2.5767 2.9989 3.5742 3.9956 4.0591 4.5538 4.6402 4.8061 4.8436 5.4149 5.4976 7.4983 7.8790 11.3454 11.3490 16.2909 16.6106 17.3061 17.3276 17.8041 18.1925 k = 0.2333 0.2379 0.7369 ( 1190 PWs) bands (ev): -8.7310 -8.7128 1.6907 2.1020 2.5404 2.5713 2.9977 3.5663 3.9844 4.0559 4.5639 4.6337 4.7881 4.8346 5.4385 5.5226 7.5048 7.8833 11.3580 11.3616 16.2496 16.5313 17.3313 17.3336 17.8641 18.2380 k = 0.2278 0.2442 0.7290 ( 1190 PWs) bands (ev): -8.7307 -8.7126 1.6887 2.0985 2.5359 2.5637 2.9960 3.5554 3.9699 4.0513 4.5768 4.6237 4.7652 4.8251 5.4695 5.5554 7.5138 7.8892 11.3756 11.3793 16.1944 16.4360 17.3383 17.3627 17.9416 18.2973 k = 0.2222 0.2506 0.7211 ( 1190 PWs) bands (ev): -8.7302 -8.7122 1.6861 2.0940 2.5299 2.5539 2.9939 3.5417 3.9526 4.0454 4.5914 4.6097 4.7393 4.8167 5.5066 5.5948 7.5251 7.8967 11.3980 11.4018 16.1271 16.3307 17.3493 17.3921 18.0318 18.3675 k = 0.2167 0.2569 0.7131 ( 1188 PWs) bands (ev): -8.7297 -8.7118 1.6829 2.0886 2.5227 2.5420 2.9913 3.5255 3.9334 4.0381 4.5916 4.6058 4.7128 4.8109 5.5487 5.6395 7.5385 7.9056 11.4251 11.4290 16.0500 16.2191 17.3650 17.4223 18.1305 18.4458 k = 0.2111 0.2633 0.7052 ( 1184 PWs) bands (ev): -8.7290 -8.7113 1.6792 2.0821 2.5141 2.5279 2.9883 3.5069 3.9130 4.0296 4.5698 4.6148 4.6911 4.8083 5.5949 5.6886 7.5539 7.9156 11.4568 11.4608 15.9649 16.1036 17.3855 17.4540 18.2345 18.5298 k = 0.2056 0.2696 0.6973 ( 1184 PWs) bands (ev): -8.7283 -8.7108 1.6750 2.0747 2.5041 2.5117 2.9848 3.4862 3.8920 4.0199 4.5450 4.6078 4.6851 4.8087 5.6444 5.7412 7.5709 7.9268 11.4929 11.4970 15.8736 15.9857 17.4110 17.4878 18.3413 18.6175 k = 0.2000 0.2759 0.6894 ( 1184 PWs) bands (ev): -8.7275 -8.7101 1.6702 2.0664 2.4928 2.4934 2.9808 3.4636 3.8709 4.0092 4.5183 4.5842 4.6956 4.8119 5.6968 5.7966 7.5895 7.9389 11.5331 11.5373 15.7774 15.8664 17.4415 17.5243 18.4492 18.7071 k = 0.1944 0.2823 0.6814 ( 1184 PWs) bands (ev): -8.7266 -8.7094 1.6648 2.0572 2.4732 2.4801 2.9765 3.4394 3.8501 3.9975 4.4903 4.5537 4.7130 4.8174 5.7517 5.8544 7.6093 7.9518 11.5772 11.5815 15.6777 15.7465 17.4770 17.5639 18.5567 18.7973 k = 0.1889 0.2886 0.6735 ( 1188 PWs) bands (ev): -8.7257 -8.7087 1.6589 2.0471 2.4511 2.4660 2.9717 3.4139 3.8300 3.9850 4.4618 4.5210 4.7326 4.8248 5.8086 5.9141 7.6301 7.9652 11.6250 11.6293 15.5753 15.6266 17.5174 17.6068 18.6627 18.8868 k = 0.1833 0.2950 0.6656 ( 1188 PWs) bands (ev): -8.7246 -8.7079 1.6525 2.0361 2.4273 2.4506 2.9664 3.3871 3.8109 3.9720 4.4333 4.4878 4.7529 4.8337 5.8674 5.9754 7.6518 7.9791 11.6761 11.6804 15.4712 15.5070 17.5627 17.6534 18.7662 18.9746 k = 0.1778 0.3013 0.6577 ( 1186 PWs) bands (ev): -8.7235 -8.7071 1.6456 2.0241 2.4019 2.4339 2.9606 3.3595 3.7929 3.9586 4.4052 4.4548 4.7734 4.8437 5.9277 6.0380 7.6741 7.9932 11.7303 11.7345 15.3660 15.3882 17.6129 17.7038 18.8666 19.0595 k = 0.1722 0.3077 0.6498 ( 1188 PWs) bands (ev): -8.7223 -8.7062 1.6381 2.0112 2.3752 2.4160 2.9543 3.3312 3.7763 3.9450 4.3778 4.4223 4.7937 4.8548 5.9894 6.1017 7.6969 8.0075 11.7872 11.7913 15.2602 15.2704 17.6678 17.7580 18.9629 19.1409 k = 0.1667 0.3140 0.6418 ( 1184 PWs) bands (ev): -8.7211 -8.7052 1.6302 1.9974 2.3475 2.3969 2.9476 3.3023 3.7611 3.9316 4.3511 4.3906 4.8136 4.8665 6.0522 6.1662 7.7199 8.0218 11.8465 11.8504 15.1540 15.1544 17.7276 17.8161 19.0547 19.2178 k = 0.1611 0.3204 0.6339 ( 1186 PWs) bands (ev): -8.7198 -8.7042 1.6218 1.9827 2.3189 2.3767 2.9403 3.2732 3.7473 3.9183 4.3253 4.3599 4.8331 4.8789 6.1160 6.2313 7.7429 8.0360 11.9077 11.9113 15.0390 15.0489 17.7921 17.8782 19.1411 19.2896 k = 0.1556 0.3267 0.6260 ( 1182 PWs) bands (ev): -8.7184 -8.7032 1.6130 1.9669 2.2899 2.3555 2.9326 3.2439 3.7352 3.9054 4.3006 4.3302 4.8521 4.8916 6.1805 6.2969 7.7660 8.0499 11.9706 11.9738 14.9258 14.9441 17.8614 17.9443 19.2220 19.3557 k = 0.1500 0.3331 0.6181 ( 1178 PWs) bands (ev): -8.7170 -8.7022 1.6037 1.9500 2.2606 2.3335 2.9244 3.2146 3.7246 3.8932 4.2768 4.3018 4.8705 4.9046 6.2456 6.3627 7.7889 8.0636 12.0346 12.0375 14.8145 14.8404 17.9353 18.0143 19.2967 19.4156 k = 0.1444 0.3394 0.6102 ( 1180 PWs) bands (ev): -8.7156 -8.7012 1.5940 1.9320 2.2315 2.3108 2.9156 3.1856 3.7155 3.8815 4.2540 4.2746 4.8884 4.9178 6.3111 6.4286 7.8116 8.0769 12.0995 12.1018 14.7053 14.7379 18.0138 18.0881 19.3652 19.4692 k = 0.1389 0.3458 0.6022 ( 1180 PWs) bands (ev): -8.7142 -8.7001 1.5840 1.9128 2.2028 2.2874 2.9065 3.1569 3.7080 3.8706 4.2322 4.2486 4.9057 4.9310 6.3769 6.4943 7.8339 8.0897 12.1648 12.1665 14.5984 14.6370 18.0967 18.1655 19.4273 19.5161 k = 0.1333 0.3521 0.5943 ( 1178 PWs) bands (ev): -8.7127 -8.6990 1.5735 1.8924 2.1749 2.2637 2.8970 3.1286 3.7018 3.8606 4.2115 4.2240 4.9223 4.9442 6.4427 6.5598 7.8558 8.1020 12.2302 12.2311 14.4940 14.5379 18.1838 18.2462 19.4833 19.5566 k = 0.1278 0.3585 0.5864 ( 1178 PWs) bands (ev): -8.7112 -8.6980 1.5628 1.8707 2.1481 2.2398 2.8871 3.1009 3.6971 3.8513 4.1917 4.2007 4.9384 4.9573 6.5083 6.6248 7.8772 8.1137 12.2951 12.2952 14.3923 14.4409 18.2749 18.3299 19.5335 19.5910 k = 0.1222 0.3648 0.5785 ( 1176 PWs) bands (ev): -8.7097 -8.6969 1.5517 1.8478 2.1226 2.2158 2.8769 3.0738 3.6936 3.8430 4.1728 4.1788 4.9539 4.9702 6.5736 6.6891 7.8981 8.1249 12.3584 12.3593 14.2935 14.3462 18.3695 18.4160 19.5786 19.6198 k = 0.1167 0.3712 0.5706 ( 1180 PWs) bands (ev): -8.7081 -8.6959 1.5405 1.8237 2.0986 2.1918 2.8666 3.0475 3.6914 3.8355 4.1548 4.1581 4.9687 4.9829 6.6384 6.7525 7.9184 8.1354 12.4204 12.4222 14.1978 14.2541 18.4669 18.5037 19.6197 19.6439 k = 0.1111 0.3775 0.5626 ( 1180 PWs) bands (ev): -8.7067 -8.6948 1.5290 1.7987 2.0761 2.1682 2.8561 3.0220 3.6902 3.8288 4.1378 4.1387 4.9830 4.9952 6.7026 6.8149 7.9381 8.1452 12.4807 12.4836 14.1055 14.1648 18.5663 18.5920 19.6582 19.6646 k = 0.1056 0.3838 0.5547 ( 1176 PWs) bands (ev): -8.7051 -8.6938 1.5175 1.7728 2.0553 2.1450 2.8455 2.9973 3.6901 3.8229 4.1206 4.1216 4.9966 5.0072 6.7658 6.8761 7.9572 8.1544 12.5389 12.5430 14.0168 14.0786 18.6665 18.6794 19.6838 19.6961 k = 0.1000 0.3902 0.5468 ( 1178 PWs) bands (ev): -8.7037 -8.6928 1.5059 1.7462 2.0360 2.1224 2.8350 2.9737 3.6909 3.8177 4.1037 4.1062 5.0095 5.0188 6.8279 6.9357 7.9756 8.1629 12.5947 12.5999 13.9320 13.9958 18.7640 18.7654 19.7037 19.7356 k = 0.0944 0.3965 0.5389 ( 1184 PWs) bands (ev): -8.7022 -8.6919 1.4943 1.7194 2.0183 2.1005 2.8246 2.9509 3.6925 3.8132 4.0880 4.0917 5.0219 5.0299 6.8887 6.9938 7.9933 8.1706 12.6476 12.6540 13.8515 13.9167 18.8437 18.8606 19.7274 19.7796 k = 0.0889 0.4029 0.5310 ( 1184 PWs) bands (ev): -8.7008 -8.6910 1.4829 1.6925 2.0020 2.0795 2.8144 2.9293 3.6948 3.8092 4.0735 4.0780 5.0336 5.0406 6.9480 7.0499 8.0103 8.1776 12.6973 12.7049 13.7755 13.8417 18.9160 18.9488 19.7589 19.8310 k = 0.0833 0.4092 0.5230 ( 1184 PWs) bands (ev): -8.6994 -8.6902 1.4716 1.6658 1.9872 2.0594 2.8045 2.9086 3.6978 3.8058 4.0601 4.0652 5.0446 5.0507 7.0056 7.1039 8.0266 8.1839 12.7433 12.7520 13.7046 13.7712 18.9786 19.0258 19.8026 19.8926 k = 0.0778 0.4156 0.5151 ( 1190 PWs) bands (ev): -8.6980 -8.6894 1.4607 1.6395 1.9736 2.0403 2.7949 2.8891 3.7013 3.8028 4.0477 4.0531 5.0550 5.0603 7.0613 7.1556 8.0423 8.1894 12.7852 12.7948 13.6393 13.7056 19.0298 19.0881 19.8624 19.9663 k = 0.0722 0.4219 0.5072 ( 1190 PWs) bands (ev): -8.6967 -8.6886 1.4502 1.6138 1.9613 2.0223 2.7858 2.8707 3.7052 3.8002 4.0364 4.0419 5.0647 5.0694 7.1148 7.2048 8.0572 8.1942 12.8224 12.8327 13.5802 13.6455 19.0693 19.1339 19.9406 20.0531 k = 0.0667 0.4283 0.4993 ( 1190 PWs) bands (ev): -8.6954 -8.6879 1.4403 1.5891 1.9501 2.0055 2.7773 2.8534 3.7095 3.7979 4.0261 4.0314 5.0737 5.0778 7.1659 7.2511 8.0714 8.1983 12.8544 12.8651 13.5279 13.5915 19.0977 19.1638 20.0365 20.1522 k = 0.0611 0.4346 0.4914 ( 1192 PWs) bands (ev): -8.6942 -8.6873 1.4310 1.5654 1.9400 1.9898 2.7693 2.8372 3.7141 3.7957 4.0167 4.0218 5.0821 5.0857 7.2144 7.2944 8.0849 8.2015 12.8808 12.8913 13.4832 13.5440 19.1166 19.1804 20.1474 20.2621 k = 0.0556 0.4410 0.4834 ( 1192 PWs) bands (ev): -8.6930 -8.6867 1.4225 1.5428 1.9310 1.9754 2.7620 2.8223 3.7189 3.7936 4.0082 4.0129 5.0898 5.0929 7.2600 7.3345 8.0977 8.2040 12.9011 12.9108 13.4467 13.5036 19.1279 19.1872 20.2697 20.3805 k = 0.0500 0.4473 0.4755 ( 1190 PWs) bands (ev): -8.6919 -8.6862 1.4148 1.5216 1.9231 1.9623 2.7555 2.8085 3.7239 3.7916 4.0007 4.0049 5.0968 5.0994 7.3026 7.3711 8.1098 8.2058 12.9151 12.9233 13.4186 13.4706 19.1336 19.1870 20.3999 20.5049 k = 0.0444 0.4537 0.4676 ( 1190 PWs) bands (ev): -8.6909 -8.6858 1.4082 1.5019 1.9162 1.9503 2.7497 2.7958 3.7290 3.7896 3.9940 3.9977 5.1030 5.1053 7.3420 7.4041 8.1212 8.2068 12.9230 12.9290 13.3989 13.4450 19.1353 19.1823 20.5346 20.6327 k = 0.0389 0.4600 0.4597 ( 1192 PWs) bands (ev): -8.6899 -8.6855 1.4026 1.4836 1.9104 1.9396 2.7448 2.7844 3.7340 3.7875 3.9882 3.9913 5.1086 5.1106 7.3778 7.4331 8.1319 8.2070 12.9255 12.9291 13.3866 13.4262 19.1344 19.1750 20.6707 20.7610 k = 0.0333 0.4664 0.4517 ( 1194 PWs) bands (ev): -8.6890 -8.6852 1.3983 1.4669 1.9055 1.9301 2.7407 2.7742 3.7391 3.7852 3.9831 3.9857 5.1135 5.1151 7.4099 7.4581 8.1419 8.2064 12.9235 12.9250 13.3803 13.4132 19.1321 19.1663 20.8050 20.8866 k = 0.0278 0.4727 0.4438 ( 1192 PWs) bands (ev): -8.6882 -8.6850 1.3953 1.4520 1.9017 1.9219 2.7376 2.7651 3.7441 3.7827 3.9789 3.9810 5.1176 5.1189 7.4381 7.4788 8.1512 8.2051 12.9184 12.9186 13.3783 13.4048 19.1291 19.1572 20.9339 21.0058 k = 0.0222 0.4791 0.4359 ( 1190 PWs) bands (ev): -8.6875 -8.6850 1.3937 1.4387 1.8989 1.9148 2.7355 2.7573 3.7490 3.7800 3.9755 3.9771 5.1210 5.1220 7.4622 7.4952 8.1598 8.2030 12.9110 12.9123 13.3792 13.3996 19.1264 19.1485 21.0529 21.1139 k = 0.0167 0.4854 0.4280 ( 1194 PWs) bands (ev): -8.6869 -8.6850 1.3936 1.4271 1.8971 1.9089 2.7344 2.7506 3.7537 3.7771 3.9729 3.9741 5.1237 5.1245 7.4821 7.5071 8.1677 8.2002 12.9041 12.9057 13.3815 13.3963 19.1243 19.1407 21.1572 21.2054 k = 0.0111 0.4917 0.4201 ( 1196 PWs) bands (ev): -8.6864 -8.6851 1.3950 1.4172 1.8963 1.9042 2.7343 2.7450 3.7582 3.7739 3.9711 3.9718 5.1256 5.1261 7.4976 7.5144 8.1749 8.1966 12.8986 12.9001 13.3845 13.3941 19.1232 19.1341 21.2408 21.2745 k = 0.0056 0.4981 0.4121 ( 1194 PWs) bands (ev): -8.6859 -8.6853 1.3980 1.4091 1.8967 1.9006 2.7353 2.7407 3.7625 3.7704 3.9701 3.9704 5.1269 5.1271 7.5087 7.5171 8.1814 8.1923 12.8954 12.8962 13.3874 13.3921 19.1236 19.1290 21.2978 21.3152 k = 0.0000 0.5044 0.4042 ( 1200 PWs) bands (ev): -8.6856 -8.6856 1.4027 1.4027 1.8981 1.8981 2.7374 2.7374 3.7666 3.7666 3.9698 3.9698 5.1274 5.1274 7.5152 7.5152 8.1872 8.1872 12.8945 12.8945 13.3899 13.3899 19.1255 19.1255 21.3234 21.3234 k = 0.0000 0.5044 0.4042 ( 1200 PWs) bands (ev): -8.6856 -8.6856 1.4027 1.4027 1.8981 1.8981 2.7374 2.7374 3.7666 3.7666 3.9698 3.9698 5.1274 5.1274 7.5152 7.5152 8.1872 8.1872 12.8945 12.8945 13.3899 13.3899 19.1255 19.1255 21.3234 21.3234 k = 0.0100 0.5079 0.4000 ( 1197 PWs) bands (ev): -8.6862 -8.6849 1.3977 1.4081 1.8887 1.9082 2.7203 2.7555 3.7628 3.7706 3.9666 3.9724 5.1261 5.1283 7.5065 7.5251 8.1807 8.1889 12.8866 12.9062 13.3799 13.4014 19.0636 19.1671 21.2552 21.4031 k = 0.0200 0.5113 0.3957 ( 1197 PWs) bands (ev): -8.6870 -8.6842 1.3931 1.4140 1.8801 1.9190 2.7041 2.7745 3.7593 3.7749 3.9627 3.9743 5.1244 5.1289 7.4991 7.5362 8.1694 8.1857 12.8821 12.9220 13.3710 13.4147 18.9848 19.1855 21.2022 21.4903 k = 0.0300 0.5147 0.3914 ( 1197 PWs) bands (ev): -8.6877 -8.6836 1.3888 1.4202 1.8726 1.9304 2.6889 2.7944 3.7561 3.7794 3.9582 3.9754 5.1225 5.1292 7.4929 7.5483 8.1536 8.1777 12.8803 12.9416 13.3633 13.4302 18.8927 19.1786 21.1663 21.5804 k = 0.0400 0.5181 0.3872 ( 1199 PWs) bands (ev): -8.6885 -8.6830 1.3849 1.4268 1.8660 1.9422 2.6748 2.8152 3.7533 3.7839 3.9531 3.9759 5.1203 5.1291 7.4881 7.5615 8.1333 8.1650 12.8805 12.9649 13.3571 13.4486 18.7901 19.1464 21.1480 21.6693 k = 0.0500 0.5215 0.3829 ( 1197 PWs) bands (ev): -8.6893 -8.6824 1.3813 1.4336 1.8607 1.9545 2.6616 2.8367 3.7509 3.7884 3.9475 3.9758 5.1178 5.1287 7.4845 7.5756 8.1089 8.1477 12.8818 12.9911 13.3529 13.4704 18.6798 19.0905 21.1453 21.7532 k = 0.0600 0.5250 0.3786 ( 1195 PWs) bands (ev): -8.6902 -8.6819 1.3780 1.4407 1.8566 1.9671 2.6496 2.8591 3.7488 3.7929 3.9416 3.9750 5.1150 5.1279 7.4822 7.5905 8.0806 8.1260 12.8833 13.0188 13.3518 13.4963 18.5638 19.0140 21.1552 21.8292 k = 0.0699 0.5284 0.3743 ( 1195 PWs) bands (ev): -8.6910 -8.6814 1.3748 1.4480 1.8539 1.9800 2.6386 2.8822 3.7472 3.7970 3.9354 3.9738 5.1121 5.1269 7.4813 7.6059 8.0489 8.1002 12.8840 13.0459 13.3557 13.5270 18.4439 18.9206 21.1737 21.8948 k = 0.0799 0.5318 0.3701 ( 1193 PWs) bands (ev): -8.6919 -8.6810 1.3717 1.4554 1.8527 1.9931 2.6287 2.9060 3.7460 3.8007 3.9291 3.9723 5.1090 5.1255 7.4816 7.6218 8.0141 8.0706 12.8832 13.0697 13.3671 13.5628 18.3217 18.8139 21.1971 21.9487 k = 0.0899 0.5352 0.3658 ( 1196 PWs) bands (ev): -8.6929 -8.6806 1.3686 1.4627 1.8530 2.0063 2.6199 2.9305 3.7453 3.8038 3.9228 3.9707 5.1058 5.1239 7.4831 7.6376 7.9768 8.0375 12.8800 13.0870 13.3887 13.6041 18.1982 18.6973 21.2221 21.9902 k = 0.0999 0.5386 0.3615 ( 1191 PWs) bands (ev): -8.6938 -8.6803 1.3655 1.4700 1.8550 2.0196 2.6122 2.9557 3.7449 3.8059 3.9167 3.9691 5.1025 5.1221 7.4858 7.6528 7.9378 8.0015 12.8741 13.0961 13.4220 13.6510 18.0746 18.5737 21.2461 22.0197 k = 0.1099 0.5421 0.3573 ( 1191 PWs) bands (ev): -8.6948 -8.6800 1.3623 1.4771 1.8586 2.0329 2.6056 2.9813 3.7450 3.8068 3.9108 3.9680 5.0991 5.1201 7.4897 7.6662 7.8982 7.9631 12.8651 13.0966 13.4669 13.7032 17.9516 18.4454 21.2671 22.0379 k = 0.1199 0.5455 0.3530 ( 1189 PWs) bands (ev): -8.6959 -8.6798 1.3588 1.4841 1.8638 2.0461 2.6001 3.0075 3.7455 3.8064 3.9053 3.9676 5.0956 5.1180 7.4946 7.6754 7.8597 7.9235 12.8528 13.0900 13.5218 13.7607 17.8302 18.3144 21.2839 22.0457 k = 0.1299 0.5489 0.3487 ( 1185 PWs) bands (ev): -8.6970 -8.6796 1.3552 1.4907 1.8707 2.0591 2.5957 3.0341 3.7463 3.8045 3.9000 3.9683 5.0922 5.1159 7.5005 7.6762 7.8248 7.8854 12.8373 13.0776 13.5845 13.8228 17.7109 18.1821 21.2957 22.0443 k = 0.1399 0.5523 0.3445 ( 1185 PWs) bands (ev): -8.6981 -8.6796 1.3513 1.4971 1.8791 2.0719 2.5925 3.0611 3.7474 3.8013 3.8948 3.9704 5.0888 5.1137 7.5072 7.6625 7.7926 7.8560 12.8186 13.0607 13.6536 13.8891 17.5943 18.0497 21.3021 22.0349 k = 0.1499 0.5557 0.3402 ( 1185 PWs) bands (ev): -8.6993 -8.6796 1.3471 1.5031 1.8889 2.0844 2.5903 3.0883 3.7484 3.7971 3.8898 3.9741 5.0854 5.1115 7.5145 7.6331 7.7555 7.8451 12.7967 13.0402 13.7275 13.9590 17.4810 17.9184 21.3030 22.0185 k = 0.1599 0.5592 0.3359 ( 1183 PWs) bands (ev): -8.7005 -8.6797 1.3426 1.5087 1.9001 2.0965 2.5892 3.1156 3.7492 3.7924 3.8848 3.9795 5.0822 5.1094 7.5220 7.5929 7.7119 7.8503 12.7719 13.0168 13.8053 14.0319 17.3715 17.7890 21.2987 21.9961 k = 0.1699 0.5626 0.3317 ( 1183 PWs) bands (ev): -8.7018 -8.6799 1.3378 1.5141 1.9125 2.1081 2.5891 3.1429 3.7490 3.7880 3.8799 3.9865 5.0790 5.1075 7.5284 7.5469 7.6661 7.8640 12.7442 12.9908 13.8859 14.1071 17.2665 17.6624 21.2892 21.9685 k = 0.1799 0.5660 0.3274 ( 1187 PWs) bands (ev): -8.7032 -8.6802 1.3326 1.5190 1.9258 2.1192 2.5900 3.1699 3.7471 3.7849 3.8754 3.9950 5.0760 5.1059 7.4976 7.5305 7.6235 7.8819 12.7138 12.9625 13.9687 14.1839 17.1663 17.5393 21.2750 21.9367 k = 0.1899 0.5694 0.3231 ( 1189 PWs) bands (ev): -8.7047 -8.6806 1.3273 1.5236 1.9400 2.1295 2.5919 3.1965 3.7428 3.7839 3.8717 4.0050 5.0732 5.1045 7.4471 7.5163 7.5963 7.9021 12.6809 12.9321 14.0527 14.2615 17.0716 17.4205 21.2565 21.9012 k = 0.1999 0.5728 0.3189 ( 1189 PWs) bands (ev): -8.7062 -8.6811 1.3216 1.5279 1.9548 2.1392 2.5947 3.2223 3.7364 3.7847 3.8690 4.0162 5.0705 5.1036 7.3959 7.4789 7.5924 7.9237 12.6456 12.8998 14.1373 14.3390 16.9829 17.3067 21.2342 21.8628 k = 0.2098 0.5763 0.3146 ( 1187 PWs) bands (ev): -8.7078 -8.6817 1.3158 1.5319 1.9701 2.1480 2.5983 3.2471 3.7286 3.7866 3.8680 4.0286 5.0681 5.1030 7.3446 7.4306 7.5996 7.9462 12.6081 12.8657 14.2215 14.4158 16.9010 17.1988 21.2084 21.8220 k = 0.2198 0.5797 0.3103 ( 1187 PWs) bands (ev): -8.7096 -8.6825 1.3098 1.5355 1.9857 2.1558 2.6027 3.2705 3.7198 3.7892 3.8690 4.0422 5.0659 5.1030 7.2936 7.3789 7.6106 7.9692 12.5684 12.8298 14.3045 14.4906 16.8265 17.0977 21.1796 21.7794 k = 0.2298 0.5831 0.3061 ( 1187 PWs) bands (ev): -8.7114 -8.6834 1.3036 1.5388 2.0013 2.1628 2.6078 3.2920 3.7107 3.7920 3.8724 4.0569 5.0640 5.1036 7.2434 7.3261 7.6235 7.9926 12.5269 12.7922 14.3852 14.5625 16.7602 17.0042 21.1483 21.7356 k = 0.2398 0.5865 0.3018 ( 1185 PWs) bands (ev): -8.7133 -8.6844 1.2973 1.5418 2.0169 2.1687 2.6135 3.3112 3.7013 3.7950 3.8785 4.0728 5.0625 5.1047 7.1942 7.2731 7.6374 8.0162 12.4836 12.7531 14.4626 14.6304 16.7030 16.9196 21.1148 21.6912 k = 0.2498 0.5899 0.2975 ( 1185 PWs) bands (ev): -8.7154 -8.6857 1.2910 1.5445 2.0323 2.1735 2.6196 3.3277 3.6920 3.7984 3.8873 4.0896 5.0614 5.1066 7.1462 7.2205 7.6520 8.0399 12.4386 12.7125 14.5354 14.6928 16.6558 16.8451 21.0795 21.6466 k = 0.2598 0.5934 0.2933 ( 1187 PWs) bands (ev): -8.7175 -8.6870 1.2846 1.5469 2.0473 2.1773 2.6260 3.3410 3.6827 3.8024 3.8987 4.1076 5.0607 5.1091 7.0997 7.1685 7.6671 8.0637 12.3921 12.6704 14.6026 14.7486 16.6193 16.7818 21.0428 21.6023 k = 0.2698 0.5968 0.2890 ( 1185 PWs) bands (ev): -8.7198 -8.6886 1.2782 1.5491 2.0618 2.1801 2.6326 3.3510 3.6737 3.8073 3.9126 4.1266 5.0606 5.1124 7.0549 7.1175 7.6827 8.0874 12.3444 12.6270 14.6627 14.7964 16.5946 16.7314 21.0052 21.5589 k = 0.2798 0.6002 0.2847 ( 1185 PWs) bands (ev): -8.7223 -8.6903 1.2719 1.5510 2.0757 2.1818 2.6392 3.3573 3.6649 3.8132 3.9288 4.1467 5.0612 5.1164 7.0121 7.0677 7.6986 8.1110 12.2954 12.5823 14.7148 14.8351 16.5823 16.6949 20.9668 21.5168 k = 0.2898 0.6036 0.2804 ( 1185 PWs) bands (ev): -8.7248 -8.6922 1.2656 1.5526 2.0889 2.1824 2.6457 3.3600 3.6563 3.8199 3.9472 4.1676 5.0626 5.1213 6.9713 7.0193 7.7148 8.1345 12.2453 12.5364 14.7579 14.8638 16.5826 16.6735 20.9280 21.4765 k = 0.2998 0.6070 0.2762 ( 1184 PWs) bands (ev): -8.7276 -8.6943 1.2594 1.5540 2.1013 2.1822 2.6520 3.3593 3.6479 3.8275 3.9676 4.1894 5.0648 5.1269 6.9329 6.9725 7.7312 8.1578 12.1943 12.4892 14.7916 14.8822 16.5956 16.6676 20.8893 21.4383 k = 0.3098 0.6105 0.2719 ( 1185 PWs) bands (ev): -8.7305 -8.6966 1.2532 1.5552 2.1128 2.1810 2.6579 3.3555 3.6396 3.8355 3.9897 4.2119 5.0681 5.1333 6.8968 6.9277 7.7478 8.1808 12.1426 12.4410 14.8157 14.8906 16.6209 16.6773 20.8508 21.4028 k = 0.3198 0.6139 0.2676 ( 1183 PWs) bands (ev): -8.7336 -8.6992 1.2473 1.5561 2.1234 2.1792 2.6633 3.3488 3.6315 3.8438 4.0132 4.2350 5.0727 5.1406 6.8632 6.8851 7.7644 8.2036 12.0901 12.3917 14.8303 14.8901 16.6576 16.7019 20.8130 21.3703 k = 0.3298 0.6173 0.2634 ( 1185 PWs) bands (ev): -8.7368 -8.7019 1.2414 1.5569 2.1327 2.1768 2.6682 3.3397 3.6234 3.8521 4.0378 4.2584 5.0786 5.1486 6.8318 6.8454 7.7811 8.2260 12.0371 12.3413 14.8353 14.8830 16.7044 16.7401 20.7761 21.3411 k = 0.3398 0.6207 0.2591 ( 1187 PWs) bands (ev): -8.7403 -8.7049 1.2357 1.5574 2.1406 2.1742 2.6723 3.3285 3.6154 3.8602 4.0629 4.2819 5.0860 5.1575 6.8005 6.8110 7.7979 8.2482 11.9835 12.2899 14.8298 14.8728 16.7597 16.7909 20.7404 21.3156 k = 0.3398 0.6207 0.2591 ( 1187 PWs) bands (ev): -8.7403 -8.7049 1.2357 1.5574 2.1406 2.1742 2.6723 3.3285 3.6154 3.8602 4.0629 4.2819 5.0860 5.1575 6.8005 6.8110 7.7979 8.2482 11.9835 12.2899 14.8298 14.8728 16.7597 16.7909 20.7404 21.3156 k = 0.3449 0.6148 0.2507 ( 1187 PWs) bands (ev): -8.7474 -8.7112 1.2254 1.5583 2.1546 2.1680 2.6805 3.3029 3.6008 3.8752 4.1127 4.3278 5.1050 5.1773 6.7365 6.7511 7.8305 8.2903 11.8779 12.1868 14.8095 14.8531 16.8777 16.9029 20.6721 21.2704 k = 0.3501 0.6089 0.2424 ( 1191 PWs) bands (ev): -8.7548 -8.7180 1.2160 1.5592 2.1595 2.1690 2.6901 3.2742 3.5883 3.8894 4.1620 4.3729 5.1305 5.2006 6.6717 6.6902 7.8624 8.3304 11.7721 12.0812 14.7915 14.8349 17.0008 17.0163 20.6046 21.2277 k = 0.3553 0.6030 0.2340 ( 1191 PWs) bands (ev): -8.7624 -8.7251 1.2077 1.5602 2.1490 2.1838 2.7010 3.2435 3.5782 3.9032 4.2087 4.4164 5.1630 5.2279 6.6063 6.6287 7.8933 8.3682 11.6666 11.9741 14.7755 14.8184 17.1276 17.1303 20.5384 21.1880 k = 0.3604 0.5971 0.2257 ( 1191 PWs) bands (ev): -8.7702 -8.7326 1.2004 1.5608 2.1372 2.1990 2.7127 3.2116 3.5705 3.9170 4.2512 4.4574 5.2031 5.2599 6.5405 6.5665 7.9227 8.4034 11.5617 11.8662 14.7616 14.8034 17.2437 17.2573 20.4738 21.1518 k = 0.3656 0.5912 0.2173 ( 1187 PWs) bands (ev): -8.7781 -8.7403 1.1941 1.5611 2.1247 2.2143 2.7250 3.1792 3.5652 3.9308 4.2885 4.4954 5.2510 5.2968 6.4746 6.5041 7.9506 8.4357 11.4580 11.7580 14.7495 14.7901 17.3558 17.3888 20.4116 21.1197 k = 0.3708 0.5853 0.2090 ( 1179 PWs) bands (ev): -8.7861 -8.7483 1.1887 1.5608 2.1122 2.2299 2.7376 3.1467 3.5624 3.9450 4.3202 4.5296 5.3065 5.3389 6.4087 6.4417 7.9765 8.4650 11.3558 11.6503 14.7391 14.7782 17.4658 17.5213 20.3524 21.0922 k = 0.3759 0.5794 0.2006 ( 1175 PWs) bands (ev): -8.7942 -8.7566 1.1842 1.5596 2.1002 2.2455 2.7501 3.1144 3.5622 3.9595 4.3463 4.5598 5.3689 5.3860 6.3433 6.3797 8.0003 8.4910 11.2554 11.5433 14.7303 14.7679 17.5724 17.6533 20.2971 21.0702 k = 0.3811 0.5735 0.1922 ( 1175 PWs) bands (ev): -8.8024 -8.7649 1.1805 1.5572 2.0895 2.2612 2.7623 3.0827 3.5647 3.9746 4.3670 4.5857 5.4373 5.4377 6.2789 6.3186 8.0217 8.5136 11.1570 11.4375 14.7230 14.7589 17.6752 17.7840 20.2467 21.0541 k = 0.3863 0.5676 0.1839 ( 1175 PWs) bands (ev): -8.8105 -8.7735 1.1775 1.5534 2.0805 2.2767 2.7739 3.0519 3.5698 3.9902 4.3828 4.6074 5.4930 5.5099 6.2164 6.2591 8.0405 8.5324 11.0609 11.3334 14.7170 14.7513 17.7732 17.9119 20.2023 21.0448 k = 0.3914 0.5617 0.1755 ( 1175 PWs) bands (ev): -8.8185 -8.7821 1.1752 1.5479 2.0738 2.2922 2.7846 3.0221 3.5778 4.0064 4.3944 4.6251 5.5503 5.5844 6.1574 6.2027 8.0566 8.5476 10.9674 11.2310 14.7123 14.7448 17.8657 18.0355 20.1654 21.0428 k = 0.3966 0.5558 0.1672 ( 1175 PWs) bands (ev): -8.8264 -8.7907 1.1736 1.5406 2.0697 2.3075 2.7941 2.9934 3.5886 4.0233 4.4025 4.6392 5.6068 5.6566 6.1055 6.1516 8.0698 8.5588 10.8766 11.1309 14.7087 14.7395 17.9522 18.1532 20.1377 21.0488 k = 0.4018 0.5499 0.1588 ( 1175 PWs) bands (ev): -8.8341 -8.7993 1.1726 1.5314 2.0687 2.3225 2.8024 2.9659 3.6023 4.0410 4.4075 4.6501 5.6576 5.7177 6.0687 6.1102 8.0799 8.5660 10.7887 11.0331 14.7061 14.7351 18.0320 18.2628 20.1211 21.0631 k = 0.4070 0.5440 0.1504 ( 1173 PWs) bands (ev): -8.8417 -8.8078 1.1722 1.5203 2.0708 2.3373 2.8092 2.9398 3.6188 4.0595 4.4101 4.6580 5.6948 5.7515 6.0625 6.0860 8.0869 8.5691 10.7040 10.9379 14.7044 14.7317 18.1048 18.3624 20.1177 21.0862 k = 0.4121 0.5380 0.1421 ( 1173 PWs) bands (ev): -8.8490 -8.8162 1.1722 1.5076 2.0759 2.3517 2.8144 2.9148 3.6382 4.0789 4.4108 4.6636 5.7087 5.7459 6.0883 6.0985 8.0907 8.5680 10.6226 10.8457 14.7035 14.7290 18.1703 18.4497 20.1295 21.1181 k = 0.4173 0.5321 0.1337 ( 1176 PWs) bands (ev): -8.8560 -8.8245 1.1727 1.4933 2.0841 2.3658 2.8179 2.8911 3.6603 4.0992 4.4099 4.6670 5.6958 5.7110 6.1200 6.1662 8.0911 8.5627 10.5447 10.7565 14.7033 14.7270 18.2283 18.5230 20.1581 21.1588 k = 0.4225 0.5262 0.1254 ( 1170 PWs) bands (ev): -8.8627 -8.8326 1.1737 1.4777 2.0952 2.3795 2.8197 2.8685 3.6851 4.1204 4.4078 4.6686 5.6621 5.6627 6.1743 6.2499 8.0882 8.5532 10.4705 10.6706 14.7036 14.7257 18.2792 18.5816 20.2045 21.2079 k = 0.4276 0.5203 0.1170 ( 1166 PWs) bands (ev): -8.8691 -8.8404 1.1750 1.4612 2.1088 2.3927 2.8198 2.8471 3.7124 4.1424 4.4047 4.6687 5.6073 5.6180 6.2421 6.3411 8.0819 8.5392 10.4003 10.5882 14.7045 14.7249 18.3231 18.6252 20.2684 21.2650 k = 0.4328 0.5144 0.1087 ( 1162 PWs) bands (ev): -8.8751 -8.8480 1.1768 1.4440 2.1247 2.4054 2.8182 2.8267 3.7420 4.1652 4.4011 4.6675 5.5502 5.5674 6.3175 6.4359 8.0723 8.5210 10.3341 10.5096 14.7057 14.7245 18.3605 18.6549 20.3485 21.3291 k = 0.4380 0.5085 0.1003 ( 1162 PWs) bands (ev): -8.8807 -8.8553 1.1790 1.4265 2.1427 2.4176 2.8073 2.8151 3.7736 4.1886 4.3972 4.6653 5.4927 5.5140 6.3971 6.5321 8.0594 8.4984 10.2723 10.4349 14.7073 14.7245 18.3921 18.6726 20.4430 21.3993 k = 0.4431 0.5026 0.0919 ( 1162 PWs) bands (ev): -8.8859 -8.8622 1.1816 1.4087 2.1624 2.4290 2.7888 2.8105 3.8070 4.2121 4.3934 4.6622 5.4357 5.4597 6.4789 6.6283 8.0435 8.4715 10.2149 10.3645 14.7090 14.7247 18.4185 18.6806 20.5492 21.4743 k = 0.4483 0.4967 0.0836 ( 1162 PWs) bands (ev): -8.8905 -8.8688 1.1847 1.3911 2.1835 2.4396 2.7714 2.8046 3.8420 4.2352 4.3904 4.6583 5.3801 5.4055 6.5616 6.7234 8.0248 8.4402 10.1623 10.2987 14.7109 14.7250 18.4405 18.6808 20.6647 21.5526 k = 0.4535 0.4908 0.0752 ( 1170 PWs) bands (ev): -8.8948 -8.8750 1.1882 1.3737 2.2059 2.4490 2.7550 2.7975 3.8782 4.2566 4.3892 4.6538 5.3265 5.3523 6.6442 6.8164 8.0037 8.4048 10.1146 10.2375 14.7129 14.7255 18.4588 18.6755 20.7870 21.6323 k = 0.4586 0.4849 0.0669 ( 1174 PWs) bands (ev): -8.8985 -8.8807 1.1922 1.3568 2.2291 2.4569 2.7401 2.7894 3.9152 4.2741 4.3917 4.6486 5.2755 5.3008 6.7258 6.9060 7.9810 8.3652 10.0720 10.1813 14.7149 14.7260 18.4742 18.6662 20.9140 21.7114 k = 0.4638 0.4790 0.0585 ( 1170 PWs) bands (ev): -8.9016 -8.8859 1.1968 1.3404 2.2530 2.4628 2.7269 2.7804 3.9527 4.2849 4.4004 4.6428 5.2278 5.2518 6.8058 6.9909 7.9577 8.3219 10.0348 10.1304 14.7169 14.7266 18.4874 18.6544 21.0437 21.7871 k = 0.4690 0.4731 0.0501 ( 1170 PWs) bands (ev): -8.9042 -8.8907 1.2020 1.3248 2.2773 2.4663 2.7158 2.7707 3.9903 4.2876 4.4163 4.6362 5.1839 5.2059 6.8834 7.0691 7.9353 8.2750 10.0030 10.0849 14.7189 14.7271 18.4990 18.6410 21.1742 21.8559 k = 0.4742 0.4672 0.0418 ( 1170 PWs) bands (ev): -8.9063 -8.8949 1.2078 1.3098 2.3016 2.4666 2.7075 2.7606 4.0276 4.2830 4.4378 4.6287 5.1448 5.1640 6.9578 7.1380 7.9161 8.2251 9.9769 10.0450 14.7207 14.7275 18.5094 18.6269 21.3036 21.9132 k = 0.4793 0.4613 0.0334 ( 1170 PWs) bands (ev): -8.9078 -8.8986 1.2143 1.2957 2.3258 2.4633 2.7023 2.7502 4.0640 4.2727 4.4626 4.6197 5.1113 5.1271 7.0279 7.1943 7.9032 8.1730 9.9565 10.0110 14.7223 14.7277 18.5194 18.6126 21.4301 21.9534 k = 0.4845 0.4554 0.0251 ( 1166 PWs) bands (ev): -8.9087 -8.9018 1.2215 1.2825 2.3494 2.4560 2.7004 2.7398 4.0991 4.2580 4.4886 4.6089 5.0843 5.0963 7.0925 7.2342 7.9002 8.1196 9.9420 9.9829 14.7238 14.7278 18.5292 18.5986 21.5515 21.9705 k = 0.4897 0.4495 0.0167 ( 1166 PWs) bands (ev): -8.9090 -8.9044 1.2296 1.2701 2.3721 2.4450 2.7018 2.7298 4.1325 4.2394 4.5143 4.5957 5.0646 5.0727 7.1500 7.2544 7.9103 8.0665 9.9336 9.9608 14.7250 14.7277 18.5392 18.5853 21.6651 21.9596 k = 0.4948 0.4436 0.0084 ( 1170 PWs) bands (ev): -8.9087 -8.9064 1.2384 1.2587 2.3935 2.4306 2.7059 2.7205 4.1635 4.2173 4.5386 4.5796 5.0532 5.0573 7.1981 7.2537 7.9343 8.0159 9.9312 9.9448 14.7260 14.7274 18.5496 18.5726 21.7674 21.9198 k = 0.5000 0.4376 0.0000 ( 1170 PWs) bands (ev): -8.9079 -8.9079 1.2481 1.2481 2.4132 2.4132 2.7124 2.7124 4.1919 4.1919 4.5605 4.5605 5.0507 5.0507 7.2338 7.2338 7.9706 7.9706 9.9349 9.9349 14.7268 14.7268 18.5607 18.5607 21.8541 21.8541 k = 0.5000 0.4376 0.0000 ( 1170 PWs) bands (ev): -8.9079 -8.9079 1.2481 1.2481 2.4132 2.4132 2.7124 2.7124 4.1919 4.1919 4.5605 4.5605 5.0507 5.0507 7.2338 7.2338 7.9706 7.9706 9.9349 9.9349 14.7268 14.7268 18.5607 18.5607 21.8541 21.8541 k = 0.4912 0.4300 0.0000 ( 1170 PWs) bands (ev): -8.9084 -8.9077 1.2470 1.2493 2.4130 2.4135 2.7085 2.7146 4.1883 4.1927 4.5360 4.5826 5.0214 5.0844 7.2329 7.2367 7.9700 7.9722 9.9334 9.9376 14.7154 14.7396 18.5509 18.5740 21.8522 21.8579 k = 0.4825 0.4223 0.0000 ( 1170 PWs) bands (ev): -8.9093 -8.9078 1.2461 1.2506 2.4128 2.4137 2.7029 2.7151 4.1816 4.1909 4.5105 4.6003 4.9982 5.1211 7.2339 7.2415 7.9704 7.9748 9.9330 9.9414 14.7053 14.7537 18.5447 18.5906 21.8523 21.8637 k = 0.4737 0.4146 0.0000 ( 1168 PWs) bands (ev): -8.9106 -8.9084 1.2453 1.2521 2.4128 2.4139 2.6956 2.7140 4.1715 4.1869 4.4853 4.6118 4.9828 5.1600 7.2368 7.2482 7.9718 7.9783 9.9338 9.9462 14.6967 14.7693 18.5419 18.6107 21.8545 21.8716 k = 0.4649 0.4069 0.0000 ( 1172 PWs) bands (ev): -8.9123 -8.9093 1.2447 1.2536 2.4128 2.4141 2.6868 2.7112 4.1576 4.1809 4.4613 4.6155 4.9764 5.2002 7.2416 7.2566 7.9741 7.9827 9.9357 9.9516 14.6898 14.7865 18.5427 18.6341 21.8585 21.8814 k = 0.4561 0.3993 0.0000 ( 1172 PWs) bands (ev): -8.9143 -8.9106 1.2441 1.2553 2.4129 2.4141 2.6764 2.7069 4.1400 4.1731 4.4391 4.6112 4.9795 5.2412 7.2484 7.2669 7.9775 7.9880 9.9385 9.9576 14.6848 14.8056 18.5470 18.6607 21.8645 21.8932 k = 0.4474 0.3916 0.0000 ( 1168 PWs) bands (ev): -8.9166 -8.9122 1.2437 1.2572 2.4132 2.4139 2.6646 2.7012 4.1188 4.1637 4.4190 4.5997 4.9909 5.2825 7.2570 7.2789 7.9819 7.9942 9.9421 9.9638 14.6821 14.8269 18.5547 18.6904 21.8726 21.9071 k = 0.4386 0.3839 0.0000 ( 1170 PWs) bands (ev): -8.9193 -8.9142 1.2433 1.2591 2.4135 2.4136 2.6516 2.6941 4.0943 4.1527 4.4010 4.5829 5.0088 5.3235 7.2676 7.2926 7.9872 8.0012 9.9461 9.9698 14.6821 14.8508 18.5659 18.7233 21.8826 21.9231 k = 0.4298 0.3762 0.0000 ( 1170 PWs) bands (ev): -8.9224 -8.9165 1.2431 1.2611 2.4126 2.4141 2.6376 2.6857 4.0670 4.1404 4.3848 4.5625 5.0312 5.3641 7.2799 7.3080 7.9935 8.0090 9.9503 9.9753 14.6852 14.8777 18.5805 18.7592 21.8945 21.9412 k = 0.4211 0.3685 0.0000 ( 1170 PWs) bands (ev): -8.9257 -8.9193 1.2429 1.2632 2.4111 2.4148 2.6228 2.6761 4.0376 4.1269 4.3701 4.5401 5.0566 5.4040 7.2940 7.3249 8.0008 8.0175 9.9543 9.9800 14.6919 14.9081 18.5985 18.7980 21.9085 21.9613 k = 0.4123 0.3609 0.0000 ( 1170 PWs) bands (ev): -8.9294 -8.9223 1.2428 1.2654 2.4089 2.4156 2.6076 2.6655 4.0066 4.1124 4.3566 4.5168 5.0838 5.4429 7.3098 7.3432 8.0089 8.0266 9.9578 9.9833 14.7026 14.9423 18.6197 18.8396 21.9244 21.9837 k = 0.4035 0.3532 0.0000 ( 1170 PWs) bands (ev): -8.9335 -8.9257 1.2428 1.2677 2.4056 2.4167 2.5924 2.6539 3.9747 4.0969 4.3438 4.4933 5.1120 5.4807 7.3272 7.3630 8.0179 8.0364 9.9602 9.9849 14.7181 14.9811 18.6441 18.8840 21.9423 22.0082 k = 0.3947 0.3455 0.0000 ( 1170 PWs) bands (ev): -8.9378 -8.9295 1.2429 1.2700 2.4009 2.4179 2.5777 2.6414 3.9423 4.0808 4.3315 4.4701 5.1407 5.5171 7.3462 7.3841 8.0277 8.0468 9.9613 9.9843 14.7387 15.0248 18.6717 18.9310 21.9621 22.0349 k = 0.3860 0.3378 0.0000 ( 1170 PWs) bands (ev): -8.9424 -8.9335 1.2430 1.2724 2.3945 2.4193 2.5640 2.6282 3.9098 4.0640 4.3195 4.4474 5.1693 5.5522 7.3665 7.4064 8.0383 8.0577 9.9605 9.9811 14.7652 15.0740 18.7024 18.9808 21.9838 22.0638 k = 0.3772 0.3302 0.0000 ( 1168 PWs) bands (ev): -8.9474 -8.9379 1.2431 1.2748 2.3860 2.4209 2.5519 2.6144 3.8776 4.0467 4.3075 4.4255 5.1978 5.5858 7.3882 7.4298 8.0497 8.0690 9.9574 9.9750 14.7979 15.1291 18.7361 19.0330 22.0073 22.0949 k = 0.3684 0.3225 0.0000 ( 1172 PWs) bands (ev): -8.9526 -8.9427 1.2432 1.2772 2.3751 2.4227 2.5416 2.6001 3.8458 4.0292 4.2954 4.4044 5.2259 5.6179 7.4110 7.4543 8.0617 8.0807 9.9515 9.9656 14.8374 15.1905 18.7728 19.0878 22.0325 22.1283 k = 0.3596 0.3148 0.0000 ( 1170 PWs) bands (ev): -8.9581 -8.9477 1.2434 1.2796 2.3618 2.4247 2.5335 2.5854 3.8149 4.0114 4.2832 4.3842 5.2535 5.6485 7.4349 7.4796 8.0744 8.0928 9.9426 9.9526 14.8841 15.2587 18.8123 19.1451 22.0593 22.1639 k = 0.3509 0.3071 0.0000 ( 1170 PWs) bands (ev): -8.9638 -8.9530 1.2435 1.2820 2.3464 2.4269 2.5275 2.5703 3.7849 3.9936 4.2708 4.3649 5.2806 5.6776 7.4596 7.5058 8.0876 8.1052 9.9302 9.9357 14.9386 15.3340 18.8548 19.2048 22.0875 22.2016 k = 0.3421 0.2994 0.0000 ( 1174 PWs) bands (ev): -8.9698 -8.9586 1.2437 1.2843 2.3291 2.4292 2.5234 2.5551 3.7561 3.9758 4.2581 4.3464 5.3072 5.7053 7.4852 7.5326 8.1014 8.1178 9.9140 9.9147 15.0010 15.4166 18.9000 19.2670 22.1166 22.2412 k = 0.3333 0.2918 0.0000 ( 1174 PWs) bands (ev): -8.9761 -8.9645 1.2438 1.2867 2.3104 2.4317 2.5209 2.5397 3.7285 3.9581 4.2452 4.3287 5.3332 5.7316 7.5113 7.5600 8.1156 8.1305 9.8895 9.8938 15.0717 15.5067 18.9480 19.3316 22.1465 22.2828 k = 0.3246 0.2841 0.0000 ( 1174 PWs) bands (ev): -8.9825 -8.9706 1.2440 1.2889 2.2908 2.4344 2.5197 2.5244 3.7023 3.9406 4.2319 4.3118 5.3588 5.7565 7.5379 7.5879 8.1303 8.1434 9.8600 9.8694 15.1509 15.6044 18.9989 19.3986 22.1765 22.3256 k = 0.3158 0.2764 0.0000 ( 1174 PWs) bands (ev): -8.9892 -8.9770 1.2441 1.2911 2.2706 2.4371 2.5092 2.5195 3.6775 3.9234 4.2184 4.2957 5.3839 5.7803 7.5648 7.6162 8.1453 8.1563 9.8262 9.8408 15.2386 15.7098 19.0524 19.4680 22.2057 22.3689 k = 0.3070 0.2687 0.0000 ( 1172 PWs) bands (ev): -8.9960 -8.9836 1.2442 1.2931 2.2502 2.4398 2.4942 2.5202 3.6544 3.9065 4.2047 4.2802 5.4087 5.8029 7.5920 7.6446 8.1605 8.1693 9.7881 9.8078 15.3348 15.8228 19.1088 19.5398 22.2333 22.4110 k = 0.2982 0.2611 0.0000 ( 1171 PWs) bands (ev): -9.0030 -8.9904 1.2443 1.2951 2.2298 2.4422 2.4797 2.5215 3.6329 3.8899 4.1907 4.2655 5.4331 5.8245 7.6192 7.6733 8.1760 8.1822 9.7459 9.7705 15.4396 15.9434 19.1679 19.6141 22.2580 22.4484 k = 0.2895 0.2534 0.0000 ( 1179 PWs) bands (ev): -9.0102 -8.9974 1.2444 1.2969 2.2098 2.4434 2.4668 2.5233 3.6130 3.8738 4.1765 4.2514 5.4574 5.8453 7.6463 7.7019 8.1916 8.1950 9.6996 9.7290 15.5528 16.0713 19.2297 19.6907 22.2783 22.4752 k = 0.2807 0.2457 0.0000 ( 1181 PWs) bands (ev): -9.0174 -9.0045 1.2444 1.2987 2.1902 2.4398 2.4589 2.5255 3.5950 3.8582 4.1621 4.2379 5.4815 5.8652 7.6732 7.7305 8.2072 8.2078 9.6495 9.6834 15.6741 16.2063 19.2943 19.7699 22.2933 22.4852 k = 0.2719 0.2380 0.0000 ( 1181 PWs) bands (ev): -9.0248 -9.0119 1.2445 1.3002 2.1713 2.4293 2.4583 2.5281 3.5788 3.8430 4.1476 4.2250 5.5056 5.8845 7.6999 7.7589 8.2200 8.2230 9.5958 9.6339 15.8033 16.3482 19.3618 19.8516 22.3021 22.4785 k = 0.2632 0.2303 0.0000 ( 1181 PWs) bands (ev): -9.0323 -9.0193 1.2446 1.3017 2.1532 2.4163 2.4606 2.5308 3.5644 3.8284 4.1330 4.2126 5.5298 5.9033 7.7261 7.7870 8.2323 8.2386 9.5387 9.5807 15.9402 16.4967 19.4321 19.9358 22.3046 22.4603 k = 0.2544 0.2227 0.0000 ( 1181 PWs) bands (ev): -9.0398 -9.0268 1.2446 1.3030 2.1359 2.4028 2.4636 2.5337 3.5519 3.8143 4.1183 4.2008 5.5541 5.9216 7.7519 7.8147 8.2442 8.2541 9.4785 9.5241 16.0842 16.6512 19.5054 20.0225 22.3013 22.4358 k = 0.2456 0.2150 0.0000 ( 1177 PWs) bands (ev): -9.0474 -9.0345 1.2447 1.3041 2.1196 2.3893 2.4669 2.5368 3.5413 3.8007 4.1036 4.1894 5.5787 5.9396 7.7771 7.8419 8.2559 8.2694 9.4155 9.4644 16.2351 16.8114 19.5817 20.1118 22.2933 22.4079 k = 0.2368 0.2073 0.0000 ( 1175 PWs) bands (ev): -9.0550 -9.0421 1.2449 1.3051 2.1044 2.3759 2.4703 2.5399 3.5327 3.7877 4.0889 4.1785 5.6037 5.9574 7.8016 7.8685 8.2672 8.2844 9.3500 9.4018 16.3924 16.9769 19.6611 20.2038 22.2817 22.3781 k = 0.2281 0.1996 0.0000 ( 1175 PWs) bands (ev): -9.0626 -9.0498 1.2450 1.3058 2.0902 2.3628 2.4737 2.5430 3.5259 3.7753 4.0742 4.1680 5.6291 5.9752 7.8254 7.8943 8.2781 8.2991 9.2824 9.3367 16.5556 17.1469 19.7436 20.2983 22.2675 22.3475 k = 0.2193 0.1920 0.0000 ( 1179 PWs) bands (ev): -9.0702 -9.0576 1.2452 1.3064 2.0770 2.3498 2.4771 2.5460 3.5210 3.7636 4.0596 4.1579 5.6550 5.9930 7.8483 7.9193 8.2886 8.3133 9.2130 9.2694 16.7241 17.3210 19.8293 20.3954 22.2519 22.3168 k = 0.2105 0.1843 0.0000 ( 1181 PWs) bands (ev): -9.0777 -9.0653 1.2454 1.3069 2.0650 2.3371 2.4806 2.5491 3.5180 3.7524 4.0451 4.1482 5.6816 6.0109 7.8704 7.9434 8.2986 8.3270 9.1422 9.2003 16.8975 17.4984 19.9185 20.4953 22.2356 22.2863 k = 0.2018 0.1766 0.0000 ( 1181 PWs) bands (ev): -9.0851 -9.0729 1.2458 1.3072 2.0542 2.3245 2.4839 2.5520 3.5168 3.7419 4.0308 4.1387 5.7089 6.0290 7.8915 7.9664 8.3082 8.3402 9.0704 9.1298 17.0751 17.6785 20.0113 20.5977 22.2196 22.2567 k = 0.1930 0.1689 0.0000 ( 1177 PWs) bands (ev): -9.0924 -9.0805 1.2462 1.3073 2.0445 2.3121 2.4873 2.5548 3.5173 3.7320 4.0167 4.1295 5.7370 6.0473 7.9115 7.9881 8.3173 8.3526 8.9980 9.0584 17.2563 17.8603 20.1078 20.7029 22.2046 22.2283 k = 0.1842 0.1612 0.0000 ( 1177 PWs) bands (ev): -9.0996 -9.0880 1.2466 1.3072 2.0360 2.2999 2.4906 2.5574 3.5195 3.7227 4.0029 4.1205 5.7659 6.0661 7.9304 8.0084 8.3257 8.3642 8.9254 8.9863 17.4405 18.0430 20.2081 20.8107 22.1913 22.2014 k = 0.1754 0.1536 0.0000 ( 1181 PWs) bands (ev): -9.1067 -9.0954 1.2472 1.3070 2.0286 2.2878 2.4938 2.5599 3.5233 3.7141 3.9894 4.1117 5.7957 6.0853 7.9479 8.0270 8.3335 8.3748 8.8534 8.9143 17.6269 18.2255 20.3125 20.9210 22.1764 22.1803 k = 0.1667 0.1459 0.0000 ( 1181 PWs) bands (ev): -9.1135 -9.1026 1.2478 1.3066 2.0223 2.2758 2.4970 2.5622 3.5285 3.7062 3.9763 4.1030 5.8265 6.1050 7.9639 8.0436 8.3404 8.3843 8.7825 8.8430 17.8146 18.4067 20.4211 21.0339 22.1540 22.1724 k = 0.1579 0.1382 0.0000 ( 1181 PWs) bands (ev): -9.1202 -9.1097 1.2485 1.3060 2.0171 2.2639 2.5002 2.5642 3.5350 3.6989 3.9636 4.0945 5.8582 6.1252 7.9781 8.0578 8.3463 8.3921 8.7138 8.7732 18.0029 18.5853 20.5340 21.1491 22.1344 22.1686 k = 0.1491 0.1305 0.0000 ( 1181 PWs) bands (ev): -9.1266 -9.1165 1.2494 1.3053 2.0129 2.2521 2.5033 2.5660 3.5427 3.6923 3.9515 4.0859 5.8908 6.1459 7.9903 8.0690 8.3506 8.3977 8.6484 8.7062 18.1908 18.7599 20.6511 21.2663 22.1184 22.1696 k = 0.1404 0.1228 0.0000 ( 1183 PWs) bands (ev): -9.1328 -9.1232 1.2503 1.3045 2.0098 2.2404 2.5065 2.5675 3.5514 3.6864 3.9399 4.0773 5.9244 6.1672 7.9998 8.0762 8.3526 8.4000 8.5885 8.6438 18.3773 18.9293 20.7723 21.3852 22.1067 22.1766 k = 0.1316 0.1152 0.0000 ( 1181 PWs) bands (ev): -9.1387 -9.1296 1.2514 1.3035 2.0078 2.2288 2.5096 2.5688 3.5610 3.6811 3.9290 4.0687 5.9588 6.1889 8.0061 8.0782 8.3511 8.3969 8.5368 8.5893 18.5611 19.0918 20.8969 21.5050 22.1004 22.1909 k = 0.1228 0.1075 0.0000 ( 1181 PWs) bands (ev): -9.1443 -9.1357 1.2526 1.3024 2.0066 2.2173 2.5128 2.5698 3.5712 3.6764 3.9189 4.0599 5.9941 6.2112 8.0080 8.0732 8.3444 8.3853 8.4970 8.5471 18.7411 19.2462 21.0240 21.6242 22.1012 22.2142 k = 0.1140 0.0998 0.0000 ( 1185 PWs) bands (ev): -9.1497 -9.1415 1.2538 1.3011 2.0065 2.2058 2.5159 2.5705 3.5817 3.6724 3.9097 4.0510 6.0301 6.2338 8.0041 8.0593 8.3324 8.3636 8.4716 8.5203 18.9160 19.3912 21.1518 21.7397 22.1122 22.2482 k = 0.1053 0.0921 0.0000 ( 1181 PWs) bands (ev): -9.1546 -9.1470 1.2552 1.2997 2.0072 2.1945 2.5191 2.5709 3.5925 3.6690 3.9015 4.0420 6.0666 6.2567 7.9930 8.0355 8.3182 8.3361 8.4587 8.5068 19.0842 19.5255 21.2783 21.8454 22.1398 22.2951 k = 0.0965 0.0845 0.0000 ( 1185 PWs) bands (ev): -9.1592 -9.1522 1.2566 1.2983 2.0088 2.1832 2.5222 2.5711 3.6032 3.6661 3.8944 4.0327 6.1036 6.2797 7.9734 8.0022 8.3060 8.3097 8.4540 8.5011 19.2443 19.6483 21.4006 21.9308 22.1939 22.3569 k = 0.0877 0.0768 0.0000 ( 1185 PWs) bands (ev): -9.1635 -9.1571 1.2582 1.2967 2.0112 2.1721 2.5254 2.5709 3.6136 3.6639 3.8886 4.0232 6.1406 6.3024 7.9453 7.9620 8.2890 8.2976 8.4538 8.4993 19.3949 19.7589 21.5158 21.9904 22.2798 22.4352 k = 0.0789 0.0691 0.0000 ( 1185 PWs) bands (ev): -9.1673 -9.1615 1.2598 1.2950 2.0144 2.1610 2.5285 2.5704 3.6234 3.6622 3.8843 4.0135 6.1776 6.3247 7.9102 7.9178 8.2752 8.2925 8.4560 8.4991 19.5346 19.8571 21.6218 22.0317 22.3886 22.5300 k = 0.0702 0.0614 0.0000 ( 1185 PWs) bands (ev): -9.1708 -9.1656 1.2615 1.2932 2.0183 2.1502 2.5317 2.5697 3.6324 3.6610 3.8817 4.0036 6.2139 6.3462 7.8708 7.8723 8.2671 8.2896 8.4596 8.4995 19.6621 19.9425 21.7176 22.0650 22.5084 22.6394 k = 0.0614 0.0537 0.0000 ( 1185 PWs) bands (ev): -9.1738 -9.1692 1.2633 1.2914 2.0229 2.1395 2.5348 2.5687 3.6402 3.6603 3.8807 3.9934 6.2493 6.3663 7.8278 7.8296 8.2634 8.2879 8.4638 8.5000 19.7765 20.0154 21.8032 22.0951 22.6319 22.7589 k = 0.0526 0.0461 0.0000 ( 1185 PWs) bands (ev): -9.1765 -9.1725 1.2652 1.2895 2.0281 2.1290 2.5380 2.5675 3.6469 3.6600 3.8816 3.9829 6.2832 6.3845 7.7858 7.7892 8.2626 8.2868 8.4683 8.5003 19.8770 20.0758 21.8799 22.1232 22.7547 22.8822 k = 0.0439 0.0384 0.0000 ( 1197 PWs) bands (ev): -9.1787 -9.1753 1.2671 1.2876 2.0340 2.1186 2.5410 2.5660 3.6522 3.6600 3.8843 3.9723 6.3149 6.4002 7.7477 7.7516 8.2636 8.2858 8.4729 8.5002 19.9635 20.1241 21.9484 22.1484 22.8732 23.0017 k = 0.0351 0.0307 0.0000 ( 1199 PWs) bands (ev): -9.1804 -9.1777 1.2691 1.2856 2.0405 2.1086 2.5441 2.5642 3.6562 3.6603 3.8887 3.9617 6.3439 6.4128 7.7148 7.7184 8.2657 8.2847 8.4773 8.4997 20.0358 20.1606 22.0093 22.1691 22.9841 23.1091 k = 0.0263 0.0230 0.0000 ( 1199 PWs) bands (ev): -9.1817 -9.1797 1.2711 1.2835 2.0475 2.0988 2.5470 2.5623 3.6590 3.6608 3.8948 3.9510 6.3694 6.4215 7.6881 7.6910 8.2684 8.2833 8.4816 8.4986 20.0945 20.1857 22.0627 22.1833 23.0839 23.1957 k = 0.0175 0.0154 0.0000 ( 1199 PWs) bands (ev): -9.1825 -9.1812 1.2732 1.2815 2.0550 2.0893 2.5499 2.5601 3.6608 3.6613 3.9022 3.9403 6.3907 6.4257 7.6684 7.6704 8.2713 8.2816 8.4856 8.4970 20.1398 20.1994 22.1077 22.1889 23.1684 23.2540 k = 0.0088 0.0077 0.0000 ( 1199 PWs) bands (ev): -9.1829 -9.1822 1.2752 1.2794 2.0629 2.0801 2.5527 2.5578 3.6616 3.6617 3.9106 3.9300 6.4074 6.4249 7.6565 7.6575 8.2743 8.2795 8.4891 8.4949 20.1725 20.2019 22.1436 22.1845 23.2328 23.2796 k = 0.0000 0.0000 0.0000 ( 1199 PWs) bands (ev): -9.1828 -9.1828 1.2773 1.2773 2.0713 2.0713 2.5553 2.5553 3.6619 3.6619 3.9200 3.9200 6.4188 6.4188 7.6528 7.6528 8.2770 8.2770 8.4923 8.4923 20.1930 20.1930 22.1694 22.1694 23.2715 23.2715 k = 0.0000 0.0000 0.0000 ( 1199 PWs) bands (ev): -9.1828 -9.1828 1.2773 1.2773 2.0713 2.0713 2.5553 2.5553 3.6619 3.6619 3.9200 3.9200 6.4188 6.4188 7.6528 7.6528 8.2770 8.2770 8.4923 8.4923 20.1930 20.1930 22.1694 22.1694 23.2715 23.2715 k = 0.0056-0.0064 0.0080 ( 1199 PWs) bands (ev): -9.1824 -9.1824 1.2771 1.2771 2.0711 2.0711 2.5551 2.5551 3.6618 3.6618 3.9200 3.9200 6.4153 6.4153 7.6529 7.6529 8.2808 8.2809 8.4952 8.4952 20.1845 20.1845 22.1638 22.1638 23.2691 23.2691 k = 0.0112-0.0128 0.0159 ( 1197 PWs) bands (ev): -9.1814 -9.1814 1.2764 1.2764 2.0703 2.0703 2.5543 2.5543 3.6616 3.6616 3.9202 3.9202 6.4047 6.4047 7.6530 7.6530 8.2920 8.2921 8.5042 8.5043 20.1590 20.1590 22.1468 22.1468 23.2623 23.2623 k = 0.0168-0.0191 0.0239 ( 1197 PWs) bands (ev): -9.1797 -9.1797 1.2753 1.2753 2.0689 2.0689 2.5531 2.5531 3.6611 3.6611 3.9204 3.9204 6.3875 6.3875 7.6532 7.6532 8.3096 8.3097 8.5197 8.5198 20.1172 20.1172 22.1180 22.1180 23.2525 23.2525 k = 0.0223-0.0255 0.0318 ( 1197 PWs) bands (ev): -9.1773 -9.1773 1.2737 1.2737 2.0670 2.0671 2.5514 2.5514 3.6605 3.6605 3.9206 3.9206 6.3644 6.3644 7.6535 7.6535 8.3322 8.3323 8.5426 8.5427 20.0602 20.0602 22.0769 22.0769 23.2413 23.2413 k = 0.0279-0.0319 0.0398 ( 1203 PWs) bands (ev): -9.1743 -9.1743 1.2716 1.2717 2.0646 2.0646 2.5492 2.5492 3.6598 3.6598 3.9210 3.9210 6.3363 6.3363 7.6538 7.6538 8.3579 8.3580 8.5737 8.5738 19.9890 19.9890 22.0228 22.0228 23.2308 23.2308 k = 0.0335-0.0383 0.0478 ( 1199 PWs) bands (ev): -9.1706 -9.1706 1.2691 1.2692 2.0616 2.0617 2.5466 2.5466 3.6589 3.6589 3.9215 3.9215 6.3039 6.3039 7.6542 7.6542 8.3853 8.3854 8.6136 8.6137 19.9052 19.9053 21.9551 21.9551 23.2232 23.2232 k = 0.0391-0.0447 0.0557 ( 1199 PWs) bands (ev): -9.1663 -9.1663 1.2661 1.2662 2.0581 2.0581 2.5435 2.5436 3.6578 3.6578 3.9221 3.9221 6.2682 6.2682 7.6546 7.6546 8.4132 8.4134 8.6624 8.6625 19.8103 19.8103 21.8734 21.8735 23.2202 23.2202 k = 0.0447-0.0510 0.0637 ( 1199 PWs) bands (ev): -9.1613 -9.1613 1.2627 1.2628 2.0540 2.0540 2.5401 2.5402 3.6567 3.6567 3.9227 3.9228 6.2301 6.2301 7.6550 7.6550 8.4413 8.4415 8.7196 8.7197 19.7057 19.7058 21.7779 21.7780 23.2230 23.2230 k = 0.0503-0.0574 0.0716 ( 1199 PWs) bands (ev): -9.1558 -9.1558 1.2588 1.2589 2.0493 2.0493 2.5363 2.5364 3.6554 3.6554 3.9236 3.9236 6.1903 6.1903 7.6554 7.6554 8.4696 8.4697 8.7842 8.7843 19.5930 19.5930 21.6690 21.6690 23.2325 23.2325 k = 0.0558-0.0638 0.0796 ( 1205 PWs) bands (ev): -9.1496 -9.1496 1.2544 1.2545 2.0440 2.0441 2.5321 2.5322 3.6540 3.6541 3.9245 3.9245 6.1497 6.1497 7.6557 7.6557 8.4982 8.4984 8.8551 8.8552 19.4733 19.4734 21.5474 21.5475 23.2488 23.2489 k = 0.0614-0.0702 0.0876 ( 1205 PWs) bands (ev): -9.1429 -9.1429 1.2496 1.2497 2.0382 2.0382 2.5276 2.5277 3.6526 3.6526 3.9256 3.9257 6.1088 6.1088 7.6558 7.6558 8.5275 8.5277 8.9314 8.9315 19.3481 19.3481 21.4143 21.4144 23.2720 23.2720 k = 0.0670-0.0766 0.0955 ( 1205 PWs) bands (ev): -9.1357 -9.1357 1.2443 1.2444 2.0318 2.0318 2.5228 2.5229 3.6511 3.6511 3.9269 3.9270 6.0682 6.0683 7.6558 7.6558 8.5576 8.5578 9.0122 9.0123 19.2183 19.2183 21.2710 21.2710 23.3015 23.3016 k = 0.0726-0.0829 0.1035 ( 1197 PWs) bands (ev): -9.1279 -9.1279 1.2386 1.2387 2.0248 2.0248 2.5178 2.5179 3.6496 3.6496 3.9284 3.9285 6.0285 6.0285 7.6556 7.6556 8.5887 8.5888 9.0968 9.0968 19.0850 19.0850 21.1185 21.1186 23.3368 23.3369 k = 0.0782-0.0893 0.1115 ( 1197 PWs) bands (ev): -9.1196 -9.1196 1.2324 1.2325 2.0172 2.0172 2.5125 2.5126 3.6480 3.6481 3.9302 3.9302 5.9899 5.9900 7.6551 7.6551 8.6207 8.6208 9.1844 9.1844 18.9490 18.9490 20.9584 20.9584 23.3770 23.3770 k = 0.0838-0.0957 0.1194 ( 1197 PWs) bands (ev): -9.1109 -9.1109 1.2258 1.2259 2.0090 2.0091 2.5070 2.5071 3.6465 3.6465 3.9321 3.9322 5.9530 5.9530 7.6543 7.6543 8.6536 8.6537 9.2746 9.2747 18.8110 18.8110 20.7916 20.7916 23.4210 23.4211 k = 0.0893-0.1021 0.1274 ( 1197 PWs) bands (ev): -9.1018 -9.1018 1.2188 1.2189 2.0003 2.0003 2.5013 2.5014 3.6449 3.6450 3.9344 3.9344 5.9179 5.9179 7.6530 7.6531 8.6873 8.6874 9.3670 9.3670 18.6717 18.6718 20.6194 20.6195 23.4675 23.4676 k = 0.0949-0.1085 0.1353 ( 1195 PWs) bands (ev): -9.0922 -9.0922 1.2114 1.2115 1.9910 1.9911 2.4955 2.4956 3.6434 3.6434 3.9369 3.9370 5.8849 5.8849 7.6514 7.6514 8.7218 8.7219 9.4612 9.4612 18.5317 18.5318 20.4428 20.4429 23.5148 23.5149 k = 0.1005-0.1148 0.1433 ( 1197 PWs) bands (ev): -9.0823 -9.0823 1.2037 1.2038 1.9812 1.9813 2.4895 2.4897 3.6418 3.6419 3.9398 3.9399 5.8541 5.8542 7.6492 7.6492 8.7569 8.7569 9.5569 9.5569 18.3914 18.3915 20.2627 20.2628 23.5605 23.5606 k = 0.1061-0.1212 0.1513 ( 1197 PWs) bands (ev): -9.0721 -9.0721 1.1956 1.1957 1.9709 1.9710 2.4835 2.4836 3.6403 3.6404 3.9431 3.9431 5.8259 5.8259 7.6464 7.6464 8.7925 8.7925 9.6538 9.6538 18.2513 18.2514 20.0801 20.0801 23.6014 23.6015 k = 0.1117-0.1276 0.1592 ( 1205 PWs) bands (ev): -9.0616 -9.0616 1.1872 1.1873 1.9601 1.9602 2.4774 2.4775 3.6389 3.6390 3.9467 3.9468 5.8001 5.8001 7.6430 7.6430 8.8283 8.8284 9.7517 9.7517 18.1118 18.1118 19.8956 19.8956 23.6332 23.6333 k = 0.1173-0.1340 0.1672 ( 1205 PWs) bands (ev): -9.0508 -9.0508 1.1786 1.1787 1.9490 1.9490 2.4713 2.4714 3.6376 3.6376 3.9507 3.9508 5.7770 5.7770 7.6389 7.6389 8.8644 8.8645 9.8504 9.8504 17.9730 17.9731 19.7099 19.7100 23.6510 23.6511 k = 0.1228-0.1403 0.1751 ( 1199 PWs) bands (ev): -9.0399 -9.0399 1.1698 1.1699 1.9374 1.9375 2.4653 2.4654 3.6363 3.6364 3.9552 3.9553 5.7565 5.7565 7.6340 7.6340 8.9005 8.9006 9.9499 9.9499 17.8355 17.8355 19.5238 19.5238 23.6501 23.6502 k = 0.1284-0.1467 0.1831 ( 1203 PWs) bands (ev): -9.0287 -9.0287 1.1608 1.1609 1.9255 1.9256 2.4593 2.4594 3.6351 3.6352 3.9601 3.9602 5.7386 5.7386 7.6283 7.6283 8.9364 8.9364 10.0497 10.0497 17.6992 17.6992 19.3377 19.3377 23.6275 23.6276 k = 0.1340-0.1531 0.1911 ( 1203 PWs) bands (ev): -9.0175 -9.0175 1.1517 1.1518 1.9134 1.9135 2.4533 2.4534 3.6340 3.6341 3.9655 3.9655 5.7234 5.7234 7.6216 7.6216 8.9719 8.9720 10.1500 10.1500 17.5645 17.5646 19.1522 19.1523 23.5842 23.5843 k = 0.1396-0.1595 0.1990 ( 1207 PWs) bands (ev): -9.0061 -9.0061 1.1425 1.1426 1.9011 1.9012 2.4475 2.4476 3.6331 3.6332 3.9712 3.9713 5.7107 5.7108 7.6140 7.6140 9.0069 9.0070 10.2506 10.2506 17.4316 17.4316 18.9678 18.9678 23.5236 23.5238 k = 0.1452-0.1659 0.2070 ( 1207 PWs) bands (ev): -8.9947 -8.9947 1.1334 1.1335 1.8888 1.8888 2.4419 2.4420 3.6323 3.6324 3.9775 3.9776 5.7006 5.7006 7.6053 7.6053 9.0412 9.0413 10.3513 10.3513 17.3005 17.3005 18.7849 18.7849 23.4504 23.4505 k = 0.1508-0.1722 0.2149 ( 1203 PWs) bands (ev): -8.9834 -8.9834 1.1243 1.1244 1.8764 1.8764 2.4365 2.4366 3.6316 3.6317 3.9841 3.9842 5.6930 5.6930 7.5955 7.5955 9.0747 9.0747 10.4521 10.4521 17.1714 17.1714 18.6039 18.6039 23.3685 23.3686 k = 0.1563-0.1786 0.2229 ( 1207 PWs) bands (ev): -8.9720 -8.9720 1.1152 1.1153 1.8640 1.8641 2.4313 2.4314 3.6311 3.6312 3.9912 3.9913 5.6877 5.6877 7.5845 7.5845 9.1070 9.1070 10.5529 10.5530 17.0443 17.0443 18.4252 18.4253 23.2814 23.2815 k = 0.1619-0.1850 0.2309 ( 1203 PWs) bands (ev): -8.9607 -8.9607 1.1064 1.1064 1.8519 1.8519 2.4265 2.4266 3.6308 3.6309 3.9986 3.9987 5.6846 5.6846 7.5722 7.5722 9.1381 9.1381 10.6537 10.6537 16.9194 16.9195 18.2492 18.2493 23.1914 23.1915 k = 0.1675-0.1914 0.2388 ( 1195 PWs) bands (ev): -8.9496 -8.9496 1.0977 1.0978 1.8400 1.8400 2.4219 2.4220 3.6307 3.6308 4.0064 4.0065 5.6837 5.6837 7.5587 7.5587 9.1677 9.1678 10.7544 10.7544 16.7968 16.7968 18.0763 18.0763 23.1004 23.1005 k = 0.1731-0.1978 0.2468 ( 1195 PWs) bands (ev): -8.9386 -8.9386 1.0893 1.0893 1.8284 1.8285 2.4177 2.4178 3.6307 3.6308 4.0145 4.0146 5.6848 5.6849 7.5437 7.5437 9.1958 9.1958 10.8549 10.8550 16.6763 16.6763 17.9066 17.9066 23.0094 23.0095 k = 0.1787-0.2041 0.2548 ( 1191 PWs) bands (ev): -8.9279 -8.9279 1.0812 1.0813 1.8174 1.8174 2.4139 2.4140 3.6310 3.6311 4.0228 4.0229 5.6878 5.6879 7.5274 7.5274 9.2222 9.2222 10.9552 10.9553 16.5580 16.5580 17.7406 17.7406 22.9195 22.9196 k = 0.1843-0.2105 0.2627 ( 1191 PWs) bands (ev): -8.9173 -8.9173 1.0735 1.0735 1.8068 1.8068 2.4105 2.4105 3.6315 3.6316 4.0314 4.0315 5.6926 5.6927 7.5095 7.5095 9.2466 9.2466 11.0552 11.0553 16.4418 16.4418 17.5786 17.5786 22.8313 22.8314 k = 0.1899-0.2169 0.2707 ( 1191 PWs) bands (ev): -8.9071 -8.9071 1.0661 1.0662 1.7969 1.7970 2.4075 2.4076 3.6322 3.6323 4.0402 4.0403 5.6991 5.6991 7.4902 7.4902 9.2690 9.2690 11.1549 11.1549 16.3278 16.3278 17.4208 17.4209 22.7454 22.7455 k = 0.1954-0.2233 0.2786 ( 1191 PWs) bands (ev): -8.8972 -8.8972 1.0593 1.0593 1.7877 1.7878 2.4050 2.4051 3.6331 3.6332 4.0491 4.0492 5.7070 5.7070 7.4692 7.4693 9.2891 9.2892 11.2541 11.2541 16.2158 16.2159 17.2677 17.2678 22.6621 22.6622 k = 0.2010-0.2297 0.2866 ( 1187 PWs) bands (ev): -8.8876 -8.8876 1.0529 1.0530 1.7794 1.7795 2.4030 2.4031 3.6342 3.6344 4.0581 4.0582 5.7164 5.7164 7.4467 7.4467 9.3070 9.3070 11.3527 11.3528 16.1060 16.1060 17.1196 17.1196 22.5818 22.5818 k = 0.2066-0.2360 0.2946 ( 1183 PWs) bands (ev): -8.8785 -8.8785 1.0472 1.0472 1.7720 1.7721 2.4016 2.4016 3.6356 3.6357 4.0672 4.0673 5.7270 5.7271 7.4226 7.4226 9.3224 9.3224 11.4507 11.4508 15.9981 15.9981 16.9766 16.9767 22.5047 22.5047 k = 0.2122-0.2424 0.3025 ( 1183 PWs) bands (ev): -8.8697 -8.8697 1.0419 1.0420 1.7656 1.7657 2.4006 2.4007 3.6371 3.6373 4.0763 4.0765 5.7389 5.7389 7.3968 7.3968 9.3353 9.3353 11.5479 11.5480 15.8922 15.8922 16.8393 16.8393 22.4310 22.4310 k = 0.2178-0.2488 0.3105 ( 1187 PWs) bands (ev): -8.8614 -8.8614 1.0373 1.0374 1.7603 1.7604 2.4003 2.4003 3.6389 3.6391 4.0855 4.0856 5.7518 5.7518 7.3693 7.3693 9.3455 9.3456 11.6441 11.6442 15.7882 15.7882 16.7077 16.7077 22.3608 22.3609 k = 0.2234-0.2552 0.3184 ( 1183 PWs) bands (ev): -8.8536 -8.8536 1.0334 1.0334 1.7561 1.7562 2.4005 2.4006 3.6409 3.6411 4.0946 4.0947 5.7657 5.7657 7.3401 7.3401 9.3531 9.3531 11.7391 11.7392 15.6863 15.6863 16.5822 16.5823 22.2943 22.2944 k = 0.2289-0.2616 0.3264 ( 1183 PWs) bands (ev): -8.8462 -8.8462 1.0301 1.0302 1.7530 1.7532 2.4013 2.4014 3.6431 3.6432 4.1036 4.1037 5.7804 5.7805 7.3092 7.3092 9.3578 9.3578 11.8325 11.8325 15.5864 15.5864 16.4631 16.4631 22.2316 22.2316 k = 0.2345-0.2679 0.3344 ( 1181 PWs) bands (ev): -8.8394 -8.8394 1.0275 1.0276 1.7513 1.7514 2.4027 2.4028 3.6454 3.6456 4.1126 4.1127 5.7960 5.7961 7.2766 7.2766 9.3597 9.3598 11.9239 11.9240 15.4890 15.4890 16.3504 16.3505 22.1726 22.1727 k = 0.2401-0.2743 0.3423 ( 1179 PWs) bands (ev): -8.8331 -8.8331 1.0257 1.0258 1.7508 1.7509 2.4047 2.4048 3.6480 3.6482 4.1216 4.1217 5.8124 5.8124 7.2423 7.2423 9.3587 9.3588 12.0129 12.0130 15.3942 15.3942 16.2444 16.2444 22.1176 22.1176 k = 0.2457-0.2807 0.3503 ( 1179 PWs) bands (ev): -8.8274 -8.8274 1.0246 1.0247 1.7516 1.7518 2.4073 2.4074 3.6507 3.6509 4.1304 4.1305 5.8294 5.8294 7.2063 7.2063 9.3549 9.3549 12.0990 12.0990 15.3027 15.3027 16.1451 16.1451 22.0663 22.0664 k = 0.2513-0.2871 0.3582 ( 1175 PWs) bands (ev): -8.8222 -8.8222 1.0242 1.0243 1.7538 1.7540 2.4105 2.4106 3.6536 3.6538 4.1392 4.1393 5.8471 5.8471 7.1687 7.1687 9.3481 9.3482 12.1813 12.1813 15.2151 15.2151 16.0525 16.0525 22.0190 22.0190 k = 0.2569-0.2935 0.3662 ( 1175 PWs) bands (ev): -8.8176 -8.8176 1.0246 1.0247 1.7573 1.7575 2.4143 2.4144 3.6567 3.6568 4.1479 4.1480 5.8654 5.8654 7.1294 7.1294 9.3385 9.3385 12.2589 12.2589 15.1322 15.1322 15.9666 15.9666 21.9753 21.9754 k = 0.2624-0.2998 0.3742 ( 1177 PWs) bands (ev): -8.8136 -8.8136 1.0257 1.0258 1.7622 1.7624 2.4187 2.4188 3.6599 3.6601 4.1565 4.1567 5.8843 5.8843 7.0886 7.0886 9.3259 9.3260 12.3307 12.3308 15.0551 15.0551 15.8873 15.8874 21.9354 21.9355 k = 0.2680-0.3062 0.3821 ( 1179 PWs) bands (ev): -8.8101 -8.8101 1.0275 1.0276 1.7684 1.7687 2.4237 2.4237 3.6633 3.6635 4.1651 4.1653 5.9037 5.9037 7.0461 7.0461 9.3105 9.3106 12.3957 12.3957 14.9850 14.9850 15.8147 15.8148 21.8992 21.8993 k = 0.2736-0.3126 0.3901 ( 1181 PWs) bands (ev): -8.8072 -8.8072 1.0300 1.0302 1.7760 1.7763 2.4292 2.4292 3.6669 3.6670 4.1737 4.1739 5.9237 5.9237 7.0022 7.0022 9.2924 9.2924 12.4522 12.4523 14.9231 14.9232 15.7487 15.7488 21.8666 21.8666 k = 0.2792-0.3190 0.3981 ( 1181 PWs) bands (ev): -8.8049 -8.8049 1.0333 1.0334 1.7850 1.7852 2.4352 2.4353 3.6706 3.6708 4.1824 4.1825 5.9442 5.9443 6.9568 6.9568 9.2715 9.2715 12.4989 12.4990 14.8708 14.8709 15.6894 15.6895 21.8375 21.8375 k = 0.2848-0.3254 0.4060 ( 1177 PWs) bands (ev): -8.8032 -8.8032 1.0372 1.0374 1.7952 1.7955 2.4418 2.4419 3.6746 3.6748 4.1910 4.1912 5.9653 5.9654 6.9101 6.9101 9.2480 9.2480 12.5343 12.5344 14.8293 14.8293 15.6370 15.6371 21.8117 21.8118 k = 0.2904-0.3317 0.4140 ( 1173 PWs) bands (ev): -8.8020 -8.8020 1.0418 1.0419 1.8068 1.8071 2.4489 2.4489 3.6788 3.6790 4.1998 4.1999 5.9870 5.9870 6.8620 6.8620 9.2219 9.2220 12.5571 12.5572 14.7993 14.7994 15.5917 15.5918 21.7893 21.7893 k = 0.2959-0.3381 0.4219 ( 1173 PWs) bands (ev): -8.8013 -8.8013 1.0469 1.0471 1.8195 1.8199 2.4564 2.4565 3.6833 3.6835 4.2086 4.2088 6.0092 6.0093 6.8127 6.8128 9.1934 9.1934 12.5662 12.5663 14.7812 14.7812 15.5542 15.5543 21.7699 21.7699 k = 0.3015-0.3445 0.4299 ( 1177 PWs) bands (ev): -8.8012 -8.8012 1.0526 1.0528 1.8335 1.8338 2.4643 2.4644 3.6880 3.6882 4.2177 4.2178 6.0320 6.0321 6.7624 6.7624 9.1625 9.1626 12.5612 12.5612 14.7743 14.7743 15.5252 15.5253 21.7535 21.7535 k = 0.3071-0.3509 0.4379 ( 1177 PWs) bands (ev): -8.8016 -8.8016 1.0588 1.0590 1.8486 1.8489 2.4727 2.4727 3.6931 3.6933 4.2269 4.2270 6.0554 6.0554 6.7110 6.7110 9.1295 9.1295 12.5422 12.5422 14.7772 14.7773 15.5059 15.5060 21.7399 21.7399 k = 0.3127-0.3572 0.4458 ( 1177 PWs) bands (ev): -8.8025 -8.8025 1.0656 1.0658 1.8647 1.8651 2.4813 2.4814 3.6985 3.6987 4.2363 4.2364 6.0792 6.0793 6.6588 6.6588 9.0944 9.0944 12.5098 12.5098 14.7876 14.7876 15.4980 15.4981 21.7289 21.7290 k = 0.3183-0.3636 0.4538 ( 1177 PWs) bands (ev): -8.8039 -8.8039 1.0727 1.0729 1.8819 1.8822 2.4903 2.4903 3.7044 3.7046 4.2460 4.2461 6.1036 6.1036 6.6060 6.6061 9.0574 9.0574 12.4651 12.4651 14.8022 14.8023 15.5032 15.5032 21.7205 21.7205 k = 0.3239-0.3700 0.4617 ( 1177 PWs) bands (ev): -8.8056 -8.8056 1.0802 1.0804 1.8999 1.9003 2.4995 2.4995 3.7107 3.7110 4.2559 4.2561 6.1281 6.1282 6.5529 6.5530 9.0186 9.0187 12.4094 12.4094 14.8179 14.8180 15.5232 15.5233 21.7144 21.7144 k = 0.3294-0.3764 0.4697 ( 1177 PWs) bands (ev): -8.8078 -8.8078 1.0881 1.0883 1.9188 1.9192 2.5089 2.5089 3.7176 3.7179 4.2662 4.2663 6.1526 6.1527 6.5001 6.5002 8.9783 8.9784 12.3442 12.3442 14.8317 14.8318 15.5594 15.5595 21.7104 21.7104 k = 0.3350-0.3828 0.4777 ( 1177 PWs) bands (ev): -8.8104 -8.8104 1.0961 1.0964 1.9385 1.9389 2.5184 2.5185 3.7251 3.7254 4.2768 4.2769 6.1759 6.1761 6.4486 6.4487 8.9366 8.9367 12.2708 12.2709 14.8417 14.8418 15.6120 15.6120 21.7084 21.7084 k = 0.3406-0.3891 0.4856 ( 1177 PWs) bands (ev): -8.8134 -8.8134 1.1044 1.1047 1.9588 1.9592 2.5281 2.5281 3.7333 3.7335 4.2877 4.2878 6.1958 6.1960 6.4010 6.4011 8.8937 8.8938 12.1906 12.1907 14.8473 14.8474 15.6800 15.6801 21.7082 21.7082 k = 0.3462-0.3955 0.4936 ( 1181 PWs) bands (ev): -8.8166 -8.8166 1.1129 1.1131 1.9797 1.9801 2.5378 2.5379 3.7422 3.7424 4.2989 4.2991 6.2060 6.2062 6.3636 6.3638 8.8497 8.8497 12.1048 12.1049 14.8488 14.8488 15.7618 15.7619 21.7095 21.7095 k = 0.3518-0.4019 0.5015 ( 1181 PWs) bands (ev): -8.8202 -8.8202 1.1214 1.1216 2.0011 2.0015 2.5475 2.5476 3.7519 3.7521 4.3105 4.3106 6.1949 6.1951 6.3483 6.3484 8.8049 8.8049 12.0144 12.0144 14.8468 14.8468 15.8555 15.8555 21.7124 21.7124 k = 0.3518-0.4019 0.5015 ( 1181 PWs) bands (ev): -8.8202 -8.8202 1.1214 1.1216 2.0011 2.0015 2.5475 2.5476 3.7519 3.7521 4.3105 4.3106 6.1949 6.1951 6.3483 6.3484 8.8049 8.8049 12.0144 12.0144 14.8468 14.8468 15.8555 15.8555 21.7124 21.7124 k = 0.3561-0.3920 0.4973 ( 1181 PWs) bands (ev): -8.8185 -8.8181 1.1164 1.1175 1.9854 1.9941 2.5382 2.5457 3.7425 3.7504 4.3000 4.3084 6.1580 6.2519 6.3126 6.3950 8.8284 8.8300 12.0615 12.0649 14.8176 14.8682 15.7854 15.8363 21.7106 21.7111 k = 0.3605-0.3822 0.4930 ( 1179 PWs) bands (ev): -8.8170 -8.8163 1.1115 1.1134 1.9696 1.9871 2.5278 2.5429 3.7329 3.7488 4.2892 4.3060 6.1171 6.2655 6.3230 6.4480 8.8520 8.8551 12.1070 12.1138 14.7757 14.8758 15.7346 15.8354 21.7096 21.7105 k = 0.3649-0.3723 0.4887 ( 1179 PWs) bands (ev): -8.8158 -8.8146 1.1066 1.1094 1.9537 1.9802 2.5166 2.5394 3.7233 3.7472 4.2785 4.3034 6.0759 6.2329 6.3825 6.5037 8.8757 8.8802 12.1508 12.1610 14.7218 14.8645 15.7078 15.8520 21.7092 21.7104 k = 0.3692-0.3625 0.4845 ( 1175 PWs) bands (ev): -8.8146 -8.8132 1.1018 1.1053 1.9379 1.9735 2.5045 2.5352 3.7137 3.7455 4.2677 4.3006 6.0356 6.1991 6.4456 6.5610 8.8995 8.9053 12.1930 12.2066 14.6576 14.8320 15.7076 15.8847 21.7094 21.7107 k = 0.3736-0.3526 0.4802 ( 1175 PWs) bands (ev): -8.8137 -8.8119 1.0971 1.1013 1.9222 1.9669 2.4916 2.5303 3.7043 3.7437 4.2570 4.2976 5.9967 6.1662 6.5101 6.6193 8.9232 8.9301 12.2335 12.2504 14.5851 14.7798 15.7326 15.9312 21.7100 21.7113 k = 0.3779-0.3428 0.4759 ( 1173 PWs) bands (ev): -8.8129 -8.8109 1.0925 1.0973 1.9068 1.9604 2.4780 2.5246 3.6952 3.7418 4.2466 4.2944 5.9595 6.1345 6.5755 6.6784 8.9468 8.9548 12.2722 12.2924 14.5064 14.7118 15.7789 15.9896 21.7111 21.7123 k = 0.3823-0.3329 0.4717 ( 1174 PWs) bands (ev): -8.8123 -8.8100 1.0880 1.0934 1.8915 1.9539 2.4637 2.5184 3.6865 3.7399 4.2363 4.2909 5.9240 6.1040 6.6415 6.7380 8.9702 8.9792 12.3091 12.3326 14.4233 14.6327 15.8418 16.0581 21.7125 21.7134 k = 0.3867-0.3231 0.4674 ( 1173 PWs) bands (ev): -8.8118 -8.8092 1.0837 1.0894 1.8766 1.9475 2.4490 2.5115 3.6783 3.7378 4.2264 4.2871 5.8904 6.0748 6.7079 6.7979 8.9935 9.0032 12.3441 12.3709 14.3373 14.5464 15.9176 16.1353 21.7142 21.7148 k = 0.3910-0.3132 0.4631 ( 1172 PWs) bands (ev): -8.8114 -8.8086 1.0794 1.0855 1.8620 1.9412 2.4338 2.5041 3.6707 3.7357 4.2167 4.2831 5.8587 6.0467 6.7744 6.8580 9.0165 9.0269 12.3772 12.4072 14.2496 14.4556 16.0035 16.2201 21.7161 21.7162 k = 0.3954-0.3033 0.4589 ( 1174 PWs) bands (ev): -8.8111 -8.8082 1.0753 1.0817 1.8478 1.9347 2.4184 2.4961 3.6637 3.7334 4.2075 4.2787 5.8291 6.0198 6.8409 6.9181 9.0391 9.0501 12.4084 12.4416 14.1611 14.3626 16.0974 16.3114 21.7177 21.7182 k = 0.3997-0.2935 0.4546 ( 1174 PWs) bands (ev): -8.8110 -8.8079 1.0713 1.0779 1.8341 1.9283 2.4028 2.4876 3.6574 3.7311 4.1986 4.2741 5.8014 5.9941 6.9071 6.9781 9.0614 9.0728 12.4376 12.4739 14.0726 14.2687 16.1979 16.4084 21.7193 21.7205 k = 0.4041-0.2836 0.4503 ( 1174 PWs) bands (ev): -8.8109 -8.8077 1.0675 1.0741 1.8209 1.9216 2.3872 2.4787 3.6518 3.7287 4.1901 4.2693 5.7758 5.9694 6.9729 7.0378 9.0832 9.0949 12.4646 12.5040 13.9848 14.1750 16.3041 16.5106 21.7209 21.7229 k = 0.4085-0.2738 0.4461 ( 1174 PWs) bands (ev): -8.8109 -8.8076 1.0637 1.0705 1.8083 1.9149 2.3718 2.4694 3.6470 3.7262 4.1822 4.2641 5.7521 5.9457 7.0381 7.0970 9.1044 9.1164 12.4896 12.5319 13.8984 14.0824 16.4149 16.6173 21.7225 21.7253 k = 0.4128-0.2639 0.4418 ( 1174 PWs) bands (ev): -8.8110 -8.8077 1.0601 1.0669 1.7963 1.9079 2.3567 2.4597 3.6428 3.7237 4.1746 4.2587 5.7305 5.9230 7.1024 7.1556 9.1252 9.1372 12.5123 12.5576 13.8138 13.9917 16.5299 16.7279 21.7242 21.7279 k = 0.4172-0.2541 0.4375 ( 1174 PWs) bands (ev): -8.8112 -8.8078 1.0567 1.0633 1.7849 1.9007 2.3421 2.4496 3.6394 3.7211 4.1676 4.2530 5.7108 5.9013 7.1656 7.2134 9.1452 9.1573 12.5326 12.5807 13.7316 13.9034 16.6483 16.8419 21.7258 21.7306 k = 0.4215-0.2442 0.4333 ( 1172 PWs) bands (ev): -8.8114 -8.8080 1.0534 1.0599 1.7742 1.8932 2.3281 2.4393 3.6367 3.7185 4.1611 4.2471 5.6931 5.8805 7.2276 7.2702 9.1647 9.1767 12.5505 12.6013 13.6525 13.8181 16.7696 16.9587 21.7276 21.7334 k = 0.4259-0.2343 0.4290 ( 1177 PWs) bands (ev): -8.8116 -8.8082 1.0502 1.0566 1.7643 1.8853 2.3149 2.4288 3.6347 3.7158 4.1551 4.2410 5.6772 5.8606 7.2882 7.3258 9.1834 9.1952 12.5658 12.6190 13.5768 13.7364 16.8932 17.0778 21.7294 21.7363 k = 0.4303-0.2245 0.4247 ( 1177 PWs) bands (ev): -8.8119 -8.8085 1.0473 1.0534 1.7552 1.8772 2.3026 2.4181 3.6334 3.7131 4.1496 4.2347 5.6632 5.8415 7.3470 7.3800 9.2013 9.2129 12.5784 12.6337 13.5052 13.6587 17.0186 17.1984 21.7315 21.7394 k = 0.4346-0.2146 0.4205 ( 1181 PWs) bands (ev): -8.8122 -8.8089 1.0444 1.0503 1.7469 1.8687 2.2913 2.4073 3.6326 3.7104 4.1447 4.2282 5.6509 5.8232 7.4039 7.4327 9.2184 9.2296 12.5882 12.6451 13.4383 13.5855 17.1453 17.3201 21.7338 21.7427 k = 0.4390-0.2048 0.4162 ( 1179 PWs) bands (ev): -8.8125 -8.8093 1.0418 1.0474 1.7395 1.8599 2.2812 2.3964 3.6325 3.7076 4.1404 4.2217 5.6404 5.8057 7.4587 7.4835 9.2347 9.2455 12.5949 12.6528 13.3768 13.5173 17.2725 17.4419 21.7363 21.7463 k = 0.4433-0.1949 0.4119 ( 1178 PWs) bands (ev): -8.8128 -8.8097 1.0393 1.0446 1.7330 1.8507 2.2722 2.3854 3.6329 3.7048 4.1366 4.2150 5.6315 5.7890 7.5111 7.5323 9.2500 9.2604 12.5985 12.6566 13.3213 13.4545 17.3995 17.5632 21.7393 21.7503 k = 0.4477-0.1851 0.4076 ( 1177 PWs) bands (ev): -8.8131 -8.8102 1.0370 1.0419 1.7274 1.8413 2.2645 2.3745 3.6337 3.7020 4.1334 4.2083 5.6242 5.7729 7.5609 7.5789 9.2645 9.2742 12.5990 12.6562 13.2724 13.3976 17.5255 17.6830 21.7428 21.7546 k = 0.4520-0.1752 0.4034 ( 1177 PWs) bands (ev): -8.8134 -8.8107 1.0349 1.0394 1.7227 1.8317 2.2580 2.3636 3.6350 3.6992 4.1308 4.2017 5.6183 5.7576 7.6079 7.6229 9.2779 9.2871 12.5963 12.6514 13.2304 13.3467 17.6497 17.8003 21.7468 21.7593 k = 0.4564-0.1654 0.3991 ( 1179 PWs) bands (ev): -8.8137 -8.8111 1.0330 1.0371 1.7190 1.8218 2.2529 2.3529 3.6367 3.6963 4.1288 4.1950 5.6140 5.7430 7.6518 7.6642 9.2903 9.2988 12.5908 12.6425 13.1955 13.3020 17.7711 17.9140 21.7514 21.7644 k = 0.4608-0.1555 0.3948 ( 1177 PWs) bands (ev): -8.8139 -8.8116 1.0312 1.0350 1.7163 1.8120 2.2490 2.3424 3.6387 3.6934 4.1274 4.1885 5.6110 5.7291 7.6924 7.7025 9.3017 9.3095 12.5827 12.6300 13.1676 13.2633 17.8886 18.0228 21.7568 21.7700 k = 0.4651-0.1456 0.3906 ( 1178 PWs) bands (ev): -8.8142 -8.8120 1.0297 1.0330 1.7146 1.8021 2.2464 2.3321 3.6411 3.6904 4.1265 4.1820 5.6093 5.7159 7.7295 7.7376 9.3120 9.3190 12.5726 12.6147 13.1461 13.2305 18.0009 18.1253 21.7629 21.7761 k = 0.4695-0.1358 0.3863 ( 1176 PWs) bands (ev): -8.8144 -8.8125 1.0283 1.0312 1.7138 1.7924 2.2450 2.3221 3.6436 3.6874 4.1263 4.1758 5.6089 5.7034 7.7628 7.7692 9.3212 9.3274 12.5613 12.5976 13.1301 13.2030 18.1066 18.2200 21.7697 21.7825 k = 0.4738-0.1259 0.3820 ( 1174 PWs) bands (ev): -8.8145 -8.8128 1.0272 1.0297 1.7141 1.7828 2.2448 2.3124 3.6464 3.6844 4.1266 4.1697 5.6096 5.6915 7.7921 7.7971 9.3293 9.3347 12.5494 12.5799 13.1189 13.1802 18.2042 18.3053 21.7771 21.7891 k = 0.4782-0.1161 0.3778 ( 1174 PWs) bands (ev): -8.8146 -8.8132 1.0262 1.0283 1.7152 1.7736 2.2457 2.3032 3.6493 3.6813 4.1275 4.1639 5.6114 5.6804 7.8173 7.8211 9.3363 9.3408 12.5380 12.5627 13.1115 13.1617 18.2923 18.3795 21.7848 21.7956 k = 0.4826-0.1062 0.3735 ( 1172 PWs) bands (ev): -8.8147 -8.8136 1.0255 1.0271 1.7174 1.7647 2.2477 2.2944 3.6524 3.6782 4.1290 4.1584 5.6143 5.6699 7.8382 7.8410 9.3421 9.3457 12.5277 12.5470 13.1073 13.1467 18.3691 18.4411 21.7925 21.8017 k = 0.4869-0.0964 0.3692 ( 1176 PWs) bands (ev): -8.8147 -8.8139 1.0249 1.0262 1.7205 1.7564 2.2507 2.2861 3.6555 3.6750 4.1310 4.1533 5.6182 5.6601 7.8547 7.8566 9.3467 9.3494 12.5194 12.5334 13.1056 13.1346 18.4332 18.4885 21.7996 21.8069 k = 0.4913-0.0865 0.3650 ( 1176 PWs) bands (ev): -8.8147 -8.8141 1.0246 1.0254 1.7244 1.7486 2.2546 2.2784 3.6587 3.6718 4.1335 4.1484 5.6231 5.6511 7.8666 7.8678 9.3501 9.3520 12.5136 12.5228 13.1059 13.1251 18.4829 18.5206 21.8057 21.8108 k = 0.4956-0.0767 0.3607 ( 1176 PWs) bands (ev): -8.8146 -8.8143 1.0245 1.0249 1.7293 1.7414 2.2594 2.2713 3.6620 3.6685 4.1365 4.1440 5.6288 5.6429 7.8739 7.8744 9.3524 9.3533 12.5108 12.5154 13.1081 13.1176 18.5172 18.5363 21.8102 21.8128 k = 0.5000-0.0668 0.3564 ( 1176 PWs) bands (ev): -8.8145 -8.8145 1.0246 1.0246 1.7350 1.7350 2.2650 2.2650 3.6652 3.6652 4.1401 4.1401 5.6354 5.6354 7.8765 7.8765 9.3535 9.3535 12.5114 12.5114 13.1120 13.1120 18.5352 18.5352 21.8126 21.8126 k = 0.5000-0.0668 0.3564 ( 1176 PWs) bands (ev): -8.8145 -8.8145 1.0246 1.0246 1.7350 1.7350 2.2650 2.2650 3.6652 3.6652 4.1401 4.1401 5.6354 5.6354 7.8765 7.8765 9.3535 9.3535 12.5114 12.5114 13.1120 13.1120 18.5352 18.5352 21.8126 21.8126 k = 0.4948-0.0608 0.3649 ( 1178 PWs) bands (ev): -8.8157 -8.8131 1.0062 1.0447 1.7169 1.7545 2.2559 2.2760 3.6503 3.6794 4.1356 4.1441 5.6286 5.6421 7.8701 7.8834 9.3296 9.3663 12.5093 12.5183 13.1022 13.1240 18.5094 18.5612 21.7840 21.8066 k = 0.4896-0.0549 0.3733 ( 1176 PWs) bands (ev): -8.8166 -8.8115 0.9896 1.0664 1.7005 1.7753 2.2487 2.2891 3.6347 3.6928 4.1308 4.1478 5.6217 5.6486 7.8644 7.8908 9.2950 9.3679 12.5124 12.5295 13.0946 13.1386 18.4838 18.5876 21.7219 21.7691 k = 0.4844-0.0489 0.3817 ( 1178 PWs) bands (ev): -8.8174 -8.8096 0.9750 1.0895 1.6860 1.7969 2.2431 2.3045 3.6183 3.7054 4.1256 4.1510 5.6147 5.6548 7.8594 7.8988 9.2503 9.3583 12.5204 12.5440 13.0893 13.1560 18.4581 18.6144 21.6305 21.7057 k = 0.4792-0.0430 0.3901 ( 1180 PWs) bands (ev): -8.8178 -8.8076 0.9625 1.1139 1.6738 1.8191 2.2390 2.3223 3.6013 3.7171 4.1202 4.1539 5.6076 5.6608 7.8549 7.9072 9.1961 9.3377 12.5328 12.5606 13.0867 13.1770 18.4318 18.6416 21.5159 21.6233 k = 0.4740-0.0370 0.3985 ( 1182 PWs) bands (ev): -8.8181 -8.8053 0.9521 1.1392 1.6642 1.8417 2.2365 2.3427 3.5836 3.7281 4.1145 4.1563 5.6004 5.6664 7.8510 7.9158 9.1331 9.3065 12.5486 12.5779 13.0876 13.2021 18.4048 18.6689 21.3841 21.5282 k = 0.4688-0.0311 0.4070 ( 1184 PWs) bands (ev): -8.8180 -8.8029 0.9439 1.1654 1.6573 1.8644 2.2353 2.3659 3.5654 3.7381 4.1087 4.1584 5.5932 5.6718 7.8477 7.9247 9.0622 9.2652 12.5663 12.5944 13.0929 13.2321 18.3764 18.6962 21.2405 21.4254 k = 0.4635-0.0251 0.4154 ( 1186 PWs) bands (ev): -8.8178 -8.8002 0.9379 1.1920 1.6535 1.8870 2.2354 2.3920 3.5466 3.7474 4.1028 4.1601 5.5859 5.6767 7.8449 7.9335 8.9842 9.2145 12.5844 12.6087 13.1037 13.2675 18.3464 18.7231 21.0893 21.3190 k = 0.4583-0.0192 0.4238 ( 1190 PWs) bands (ev): -8.8173 -8.7975 0.9343 1.2187 1.6531 1.9094 2.2368 2.4211 3.5274 3.7557 4.0969 4.1616 5.5786 5.6813 7.8426 7.9422 8.8998 9.1551 12.6007 12.6196 13.1215 13.3090 18.3142 18.7491 20.9339 21.2120 k = 0.4531-0.0132 0.4322 ( 1190 PWs) bands (ev): -8.8166 -8.7945 0.9330 1.2453 1.6563 1.9313 2.2394 2.4532 3.5079 3.7632 4.0910 4.1628 5.5712 5.6853 7.8406 7.9504 8.8100 9.0878 12.6134 12.6265 13.1473 13.3566 18.2794 18.7734 20.7773 21.1070 k = 0.4479-0.0073 0.4406 ( 1190 PWs) bands (ev): -8.8157 -8.7915 0.9341 1.2714 1.6634 1.9528 2.2432 2.4883 3.4881 3.7699 4.0853 4.1639 5.5638 5.6890 7.8388 7.9578 8.7157 9.0133 12.6195 12.6302 13.1820 13.4104 18.2416 18.7954 20.6218 21.0055 k = 0.4427-0.0013 0.4491 ( 1190 PWs) bands (ev): -8.8145 -8.7883 0.9377 1.2968 1.6746 1.9739 2.2481 2.5264 3.4681 3.7757 4.0797 4.1648 5.5563 5.6920 7.8372 7.9637 8.6180 8.9325 12.6167 12.6321 13.2256 13.4700 18.2005 18.8139 20.4695 20.9089 k = 0.4375 0.0046 0.4575 ( 1188 PWs) bands (ev): -8.8132 -8.7850 0.9437 1.3211 1.6899 1.9945 2.2541 2.5673 3.4481 3.7807 4.0744 4.1656 5.5487 5.6946 7.8356 7.9673 8.5182 8.8460 12.6066 12.6303 13.2776 13.5352 18.1560 18.8277 20.3225 20.8180 k = 0.4323 0.0106 0.4659 ( 1188 PWs) bands (ev): -8.8116 -8.7817 0.9522 1.3444 1.7092 2.0148 2.2613 2.6108 3.4282 3.7850 4.0693 4.1664 5.5409 5.6966 7.8337 7.9670 8.4184 8.7547 12.5907 12.6239 13.3371 13.6054 18.1080 18.8352 20.1829 20.7334 k = 0.4271 0.0165 0.4743 ( 1186 PWs) bands (ev): -8.8099 -8.7783 0.9631 1.3666 1.7323 2.0349 2.2697 2.6567 3.4087 3.7886 4.0647 4.1673 5.5331 5.6980 7.8314 7.9595 8.3220 8.6593 12.5696 12.6129 13.4033 13.6800 18.0565 18.8346 20.0528 20.6551 k = 0.4219 0.0225 0.4828 ( 1186 PWs) bands (ev): -8.8079 -8.7748 0.9766 1.3878 1.7586 2.0550 2.2793 2.7048 3.3896 3.7916 4.0603 4.1683 5.5250 5.6987 7.8277 7.9391 8.2357 8.5606 12.5439 12.5973 13.4752 13.7586 18.0019 18.8236 19.9345 20.5829 k = 0.4167 0.0284 0.4912 ( 1186 PWs) bands (ev): -8.8059 -8.7713 0.9925 1.4084 1.7878 2.0751 2.2903 2.7545 3.3714 3.7941 4.0563 4.1695 5.5167 5.6989 7.8198 7.8989 8.1685 8.4599 12.5140 12.5776 13.5518 13.8407 17.9446 18.8003 19.8300 20.5165 k = 0.4115 0.0344 0.4996 ( 1186 PWs) bands (ev): -8.8036 -8.7678 1.0107 1.4285 1.8191 2.0954 2.3029 2.8055 3.3544 3.7963 4.0527 4.1709 5.5082 5.6984 7.7888 7.8530 8.1240 8.3594 12.4803 12.5539 13.6327 13.9260 17.8851 18.7633 19.7405 20.4552 k = 0.4062 0.0403 0.5080 ( 1186 PWs) bands (ev): -8.8013 -8.7643 1.0314 1.4485 1.8519 2.1160 2.3172 2.8571 3.3392 3.7982 4.0495 4.1725 5.4993 5.6972 7.7073 7.8350 8.0906 8.2644 12.4431 12.5264 13.7172 14.0140 17.8239 18.7122 19.6663 20.3980 k = 0.4010 0.0463 0.5164 ( 1190 PWs) bands (ev): -8.7988 -8.7608 1.0544 1.4685 1.8855 2.1369 2.3336 2.9083 3.3267 3.8002 4.0465 4.1744 5.4900 5.6954 7.6024 7.8266 8.0452 8.1901 12.4029 12.4954 13.8048 14.1045 17.7618 18.6484 19.6057 20.3441 k = 0.3958 0.0522 0.5249 ( 1190 PWs) bands (ev): -8.7961 -8.7574 1.0797 1.4886 1.9192 2.1580 2.3526 2.9578 3.3182 3.8023 4.0439 4.1767 5.4804 5.6928 7.4885 7.8180 7.9684 8.1518 12.3597 12.4611 13.8953 14.1972 17.6994 18.5742 19.5562 20.2925 k = 0.3906 0.0582 0.5333 ( 1190 PWs) bands (ev): -8.7934 -8.7540 1.1072 1.5091 1.9526 2.1789 2.3746 3.0033 3.3157 3.8047 4.0416 4.1793 5.4702 5.6896 7.3699 7.8004 7.8783 8.1360 12.3141 12.4236 13.9884 14.2919 17.6374 18.4928 19.5142 20.2421 k = 0.3854 0.0641 0.5417 ( 1188 PWs) bands (ev): -8.7906 -8.7507 1.1367 1.5300 1.9851 2.1995 2.4003 3.0418 3.3224 3.8077 4.0395 4.1823 5.4595 5.6856 7.2486 7.7335 7.8283 8.1284 12.2662 12.3833 14.0837 14.3883 17.5764 18.4071 19.4764 20.1918 k = 0.3802 0.0701 0.5501 ( 1182 PWs) bands (ev): -8.7878 -8.7474 1.1682 1.5513 2.0167 2.2192 2.4299 3.0702 3.3412 3.8115 4.0377 4.1857 5.4483 5.6810 7.1259 7.6269 7.8133 8.1235 12.2163 12.3403 14.1812 14.4863 17.5171 18.3197 19.4402 20.1408 k = 0.3750 0.0760 0.5585 ( 1182 PWs) bands (ev): -8.7848 -8.7443 1.2014 1.5731 2.0470 2.2380 2.4636 3.0872 3.3731 3.8163 4.0362 4.1896 5.4363 5.6755 7.0022 7.5128 7.8029 8.1194 12.1649 12.2949 14.2806 14.5857 17.4598 18.2324 19.4032 20.0881 k = 0.3698 0.0820 0.5670 ( 1182 PWs) bands (ev): -8.7818 -8.7413 1.2360 1.5954 2.0762 2.2556 2.5013 3.0947 3.4160 3.8224 4.0350 4.1939 5.4235 5.6694 6.8783 7.3963 7.7927 8.1151 12.1122 12.2474 14.3818 14.6863 17.4051 18.1467 19.3636 20.0330 k = 0.3646 0.0879 0.5754 ( 1182 PWs) bands (ev): -8.7788 -8.7384 1.2720 1.6182 2.1042 2.2722 2.5427 3.0958 3.4667 3.8301 4.0341 4.1986 5.4099 5.6625 6.7544 7.2788 7.7819 8.1101 12.0586 12.1980 14.4847 14.7880 17.3533 18.0638 19.3204 19.9749 k = 0.3594 0.0939 0.5838 ( 1182 PWs) bands (ev): -8.7758 -8.7356 1.3088 1.6416 2.1312 2.2880 2.5873 3.0935 3.5217 3.8397 4.0338 4.2039 5.3954 5.6548 6.6311 7.1610 7.7703 8.1042 12.0045 12.1471 14.5893 14.8904 17.3048 17.9843 19.2726 19.9133 k = 0.3542 0.0998 0.5922 ( 1180 PWs) bands (ev): -8.7728 -8.7330 1.3461 1.6656 2.1572 2.3032 2.6344 3.0896 3.5788 3.8515 4.0341 4.2097 5.3798 5.6464 6.5086 7.0434 7.7577 8.0973 11.9502 12.0951 14.6953 14.9934 17.2599 17.9087 19.2198 19.8478 k = 0.3490 0.1058 0.6006 ( 1180 PWs) bands (ev): -8.7698 -8.7305 1.3834 1.6904 2.1821 2.3184 2.6833 3.0855 3.6358 3.8662 4.0355 4.2161 5.3630 5.6371 6.3873 6.9262 7.7441 8.0891 11.8962 12.0422 14.8027 15.0968 17.2188 17.8374 19.1616 19.7783 k = 0.3438 0.1117 0.6091 ( 1180 PWs) bands (ev): -8.7668 -8.7282 1.4201 1.7163 2.2058 2.3338 2.7335 3.0820 3.6905 3.8843 4.0387 4.2232 5.3449 5.6270 6.2675 6.8100 7.7295 8.0797 11.8428 11.9888 14.9114 15.2002 17.1817 17.7705 19.0979 19.7045 k = 0.3385 0.1177 0.6175 ( 1182 PWs) bands (ev): -8.7638 -8.7261 1.4556 1.7435 2.2281 2.3499 2.7840 3.0799 3.7409 3.9059 4.0450 4.2310 5.3254 5.6160 6.1497 6.6950 7.7140 8.0692 11.7905 11.9354 15.0212 15.3034 17.1490 17.7081 19.0287 19.6265 k = 0.3333 0.1236 0.6259 ( 1184 PWs) bands (ev): -8.7609 -8.7241 1.4892 1.7721 2.2489 2.3670 2.8336 3.0804 3.7850 3.9299 4.0572 4.2397 5.3043 5.6041 6.0342 6.5816 7.6978 8.0575 11.7396 11.8822 15.1321 15.4059 17.1207 17.6503 18.9544 19.5445 k = 0.3281 0.1296 0.6343 ( 1182 PWs) bands (ev): -8.7580 -8.7223 1.5204 1.8024 2.2683 2.3852 2.8808 3.0850 3.8222 3.9522 4.0793 4.2494 5.2814 5.5910 5.9217 6.4702 7.6809 8.0448 11.6904 11.8298 15.2438 15.5073 17.0973 17.5970 18.8752 19.4586 k = 0.3229 0.1355 0.6428 ( 1178 PWs) bands (ev): -8.7552 -8.7206 1.5486 1.8342 2.2865 2.4044 2.9225 3.0961 3.8535 3.9687 4.1138 4.2604 5.2565 5.5764 5.8130 6.3612 7.6635 8.0312 11.6434 11.7785 15.3562 15.6070 17.0790 17.5482 18.7915 19.3691 k = 0.3177 0.1415 0.6512 ( 1180 PWs) bands (ev): -8.7525 -8.7192 1.5737 1.8671 2.3039 2.4243 2.9553 3.1171 3.8807 3.9789 4.1586 4.2729 5.2294 5.5587 5.7100 6.2552 7.6458 8.0168 11.5988 11.7285 15.4690 15.7043 17.0663 17.5038 18.7036 19.2763 k = 0.3125 0.1474 0.6596 ( 1180 PWs) bands (ev): -8.7498 -8.7179 1.5956 1.9005 2.3212 2.4445 2.9773 3.1495 3.9054 3.9852 4.2086 4.2880 5.2000 5.5316 5.6198 6.1528 7.6280 8.0019 11.5569 11.6804 15.5820 15.7984 17.0596 17.4637 18.6122 19.1806 k = 0.3073 0.1534 0.6680 ( 1182 PWs) bands (ev): -8.7473 -8.7168 1.6145 1.9335 2.3390 2.4645 2.9902 3.1911 3.9280 3.9897 4.2578 4.3082 5.1679 5.4739 5.5640 6.0545 7.6103 7.9866 11.5180 11.6343 15.6945 15.8885 17.0596 17.4280 18.5178 19.0824 k = 0.3021 0.1593 0.6764 ( 1186 PWs) bands (ev): -8.7449 -8.7159 1.6306 1.9651 2.3580 2.4838 2.9975 3.2380 3.9486 3.9937 4.2958 4.3421 5.1331 5.3917 5.5373 5.9611 7.5930 7.9713 11.4824 11.5907 15.8060 15.9738 17.0666 17.3966 18.4211 18.9823 k = 0.2969 0.1653 0.6849 ( 1184 PWs) bands (ev): -8.7427 -8.7151 1.6443 1.9944 2.3785 2.5021 3.0015 3.2871 3.9659 3.9993 4.3210 4.3898 5.0955 5.3075 5.5178 5.8734 7.5764 7.9561 11.4502 11.5497 15.9151 16.0540 17.0812 17.3696 18.3230 18.8808 k = 0.2917 0.1712 0.6933 ( 1186 PWs) bands (ev): -8.7405 -8.7145 1.6557 2.0204 2.4008 2.5189 3.0036 3.3365 3.9779 4.0083 4.3431 4.4408 5.0553 5.2274 5.5000 5.7923 7.5606 7.9415 11.4216 11.5118 16.0188 16.1303 17.1032 17.3474 18.2244 18.7786 k = 0.2865 0.1772 0.7017 ( 1186 PWs) bands (ev): -8.7386 -8.7141 1.6653 2.0429 2.4245 2.5340 3.0045 3.3846 3.9846 4.0207 4.3658 4.4906 5.0131 5.1532 5.4828 5.7188 7.5460 7.9276 11.3968 11.4770 16.1107 16.2075 17.1318 17.3306 18.1268 18.6765 k = 0.2812 0.1831 0.7101 ( 1186 PWs) bands (ev): -8.7368 -8.7137 1.6732 2.0615 2.4491 2.5472 3.0046 3.4302 3.9888 4.0335 4.3900 4.5371 4.9699 5.0853 5.4661 5.6537 7.5327 7.9149 11.3760 11.4457 16.1820 16.2928 17.1641 17.3206 18.0321 18.5755 k = 0.2760 0.1891 0.7185 ( 1186 PWs) bands (ev): -8.7353 -8.7135 1.6796 2.0764 2.4734 2.5584 3.0041 3.4720 3.9922 4.0445 4.4164 4.5790 4.9273 5.0243 5.4497 5.5980 7.5211 7.9035 11.3591 11.4179 16.2328 16.3845 17.1953 17.3197 17.9433 18.4770 k = 0.2708 0.1950 0.7270 ( 1186 PWs) bands (ev): -8.7339 -8.7133 1.6847 2.0879 2.4963 2.5673 3.0031 3.5086 3.9955 4.0528 4.4450 4.6142 4.8873 4.9708 5.4339 5.5526 7.5112 7.8938 11.3464 11.3938 16.2692 16.4748 17.2193 17.3292 17.8650 18.3831 k = 0.2656 0.2010 0.7354 ( 1186 PWs) bands (ev): -8.7329 -8.7132 1.6885 2.0964 2.5163 2.5739 3.0020 3.5390 3.9987 4.0580 4.4754 4.6400 4.8529 4.9257 5.4192 5.5182 7.5034 7.8859 11.3377 11.3736 16.2949 16.5568 17.2358 17.3424 17.8043 18.2971 k = 0.2604 0.2069 0.7438 ( 1188 PWs) bands (ev): -8.7321 -8.7132 1.6912 2.1021 2.5322 2.5782 3.0009 3.5617 4.0018 4.0607 4.5063 4.6520 4.8293 4.8896 5.4067 5.4946 7.4977 7.8802 11.3332 11.3574 16.3121 16.6240 17.2502 17.3461 17.7680 18.2242 k = 0.2552 0.2129 0.7522 ( 1186 PWs) bands (ev): -8.7316 -8.7132 1.6928 2.1055 2.5426 2.5804 3.0002 3.5758 4.0041 4.0616 4.5331 4.6497 4.8210 4.8635 5.3980 5.4810 7.4942 7.8766 11.3329 11.3454 16.3219 16.6689 17.2661 17.3357 17.7550 18.1729 k = 0.2500 0.2188 0.7607 ( 1184 PWs) bands (ev): -8.7314 -8.7132 1.6933 2.1066 2.5463 2.5810 2.9999 3.5806 4.0050 4.0618 4.5452 4.6449 4.8216 4.8522 5.3949 5.4767 7.4930 7.8755 11.3353 11.3388 16.3251 16.6849 17.2762 17.3257 17.7533 18.1540 k = 0.1915-0.2188 0.7607 ( 1187 PWs) bands (ev): -8.7435 -8.7078 1.5014 1.5796 2.2230 2.3581 2.8632 2.9366 3.6468 3.7604 4.5376 4.5485 5.3074 5.4854 6.6092 6.9747 7.0062 7.2233 11.9092 11.9701 15.4399 15.5005 16.9271 17.0796 19.1547 19.2135 k = 0.1967-0.2247 0.7523 ( 1187 PWs) bands (ev): -8.7471 -8.7105 1.4755 1.5589 2.2197 2.3458 2.8640 2.8997 3.6214 3.7508 4.5324 4.5544 5.3663 5.5582 6.6378 6.9455 6.9864 7.2679 11.9423 11.9971 15.3957 15.4607 16.9289 17.1001 19.1188 19.1686 k = 0.2019-0.2306 0.7439 ( 1185 PWs) bands (ev): -8.7508 -8.7134 1.4492 1.5383 2.2164 2.3349 2.8625 2.8628 3.5984 3.7418 4.5252 4.5585 5.4259 5.6308 6.6680 6.9186 6.9629 7.3176 11.9738 12.0223 15.3535 15.4223 16.9262 17.1150 19.0931 19.1347 k = 0.2070-0.2365 0.7356 ( 1189 PWs) bands (ev): -8.7546 -8.7166 1.4228 1.5179 2.2127 2.3250 2.8262 2.8588 3.5783 3.7335 4.5164 4.5611 5.4853 5.7017 6.6978 6.8968 6.9372 7.3707 12.0034 12.0455 15.3133 15.3854 16.9180 17.1229 19.0789 19.1136 k = 0.2122-0.2424 0.7272 ( 1185 PWs) bands (ev): -8.7585 -8.7200 1.3965 1.4978 2.2084 2.3161 2.7906 2.8527 3.5614 3.7257 4.5063 4.5623 5.5440 5.7697 6.7216 6.8865 6.9102 7.4267 12.0309 12.0666 15.2750 15.3501 16.9037 17.1223 19.0771 19.1066 k = 0.2174-0.2484 0.7189 ( 1187 PWs) bands (ev): -8.7624 -8.7237 1.3705 1.4780 2.2032 2.3080 2.7563 2.8443 3.5478 3.7186 4.4951 4.5625 5.6013 5.8337 6.7301 6.8822 6.8976 7.4852 12.0562 12.0855 15.2386 15.3162 16.8826 17.1124 19.0885 19.1148 k = 0.2226-0.2543 0.7105 ( 1189 PWs) bands (ev): -8.7664 -8.7275 1.3450 1.4587 2.1970 2.3003 2.7240 2.8335 3.5378 3.7122 4.4830 4.5616 5.6568 5.8925 6.7207 6.8536 6.9332 7.5461 12.0791 12.1022 15.2041 15.2838 16.8547 17.0926 19.1134 19.1387 k = 0.2277-0.2602 0.7021 ( 1183 PWs) bands (ev): -8.7705 -8.7316 1.3203 1.4399 2.1893 2.2930 2.6941 2.8207 3.5312 3.7066 4.4702 4.5598 5.7102 5.9457 6.7005 6.8245 6.9865 7.6092 12.0995 12.1167 15.1714 15.2530 16.8201 17.0631 19.1519 19.1783 k = 0.2329-0.2661 0.6938 ( 1183 PWs) bands (ev): -8.7745 -8.7358 1.2964 1.4217 2.1801 2.2857 2.6669 2.8060 3.5282 3.7016 4.4568 4.5572 5.7612 5.9928 6.6757 6.7949 7.0515 7.6744 12.1172 12.1289 15.1405 15.2235 16.7793 17.0244 19.2036 19.2330 k = 0.2381-0.2720 0.6854 ( 1177 PWs) bands (ev): -8.7784 -8.7401 1.2735 1.4040 2.1692 2.2784 2.6428 2.7898 3.5283 3.6973 4.4429 4.5537 5.8095 6.0337 6.6490 6.7652 7.1251 7.7416 12.1322 12.1388 15.1113 15.1955 16.7328 16.9775 19.2680 19.3018 k = 0.2432-0.2779 0.6771 ( 1181 PWs) bands (ev): -8.7824 -8.7445 1.2517 1.3869 2.1566 2.2709 2.6217 2.7724 3.5315 3.6938 4.4287 4.5495 5.8550 6.0687 6.6219 6.7353 7.2055 7.8104 12.1443 12.1464 15.0838 15.1688 16.6816 16.9235 19.3443 19.3835 k = 0.2484-0.2838 0.6687 ( 1181 PWs) bands (ev): -8.7863 -8.7491 1.2312 1.3703 2.1424 2.2630 2.6038 2.7543 3.5375 3.6910 4.4142 4.5446 5.8977 6.0982 6.5951 6.7054 7.2913 7.8807 12.1518 12.1537 15.0580 15.1434 16.6265 16.8639 19.4317 19.4768 k = 0.2536-0.2897 0.6604 ( 1181 PWs) bands (ev): -8.7901 -8.7536 1.2119 1.3543 2.1269 2.2545 2.5890 2.7358 3.5459 3.6890 4.3996 4.5389 5.9374 6.1225 6.5692 6.6755 7.3814 7.9521 12.1549 12.1603 15.0337 15.1193 16.5687 16.7999 19.5293 19.5804 k = 0.2587-0.2956 0.6520 ( 1185 PWs) bands (ev): -8.7937 -8.7583 1.1940 1.3387 2.1104 2.2453 2.5769 2.7173 3.5564 3.6877 4.3850 4.5325 5.9743 6.1422 6.5444 6.6459 7.4747 8.0243 12.1558 12.1640 15.0109 15.0964 16.5089 16.7326 19.6359 19.6930 k = 0.2639-0.3015 0.6436 ( 1184 PWs) bands (ev): -8.7973 -8.7629 1.1776 1.3237 2.0934 2.2355 2.5674 2.6991 3.5688 3.6872 4.3706 4.5253 6.0083 6.1577 6.5210 6.6165 7.5703 8.0969 12.1547 12.1651 14.9896 15.0746 16.4482 16.6634 19.7509 19.8134 k = 0.2691-0.3074 0.6353 ( 1184 PWs) bands (ev): -8.8006 -8.7675 1.1626 1.3091 2.0763 2.2247 2.5599 2.6815 3.5826 3.6875 4.3564 4.5173 6.0396 6.1695 6.4993 6.5875 7.6673 8.1693 12.1517 12.1636 14.9698 15.0539 16.3873 16.5931 19.8731 19.9404 k = 0.2742-0.3133 0.6269 ( 1182 PWs) bands (ev): -8.8038 -8.7721 1.1491 1.2948 2.0595 2.2131 2.5543 2.6648 3.5976 3.6886 4.3427 4.5086 6.0682 6.1779 6.4795 6.5591 7.7648 8.2410 12.1467 12.1596 14.9513 15.0342 16.3272 16.5227 20.0016 20.0730 k = 0.2794-0.3192 0.6186 ( 1180 PWs) bands (ev): -8.8068 -8.7766 1.1372 1.2810 2.0434 2.2007 2.5500 2.6491 3.6134 3.6903 4.3296 4.4991 6.0942 6.1835 6.4617 6.5314 7.8620 8.3115 12.1401 12.1533 14.9343 15.0155 16.2685 16.4531 20.1355 20.2099 k = 0.2846-0.3251 0.6102 ( 1180 PWs) bands (ev): -8.8096 -8.7810 1.1268 1.2674 2.0284 2.1874 2.5470 2.6346 3.6297 3.6928 4.3172 4.4888 6.1177 6.1866 6.4459 6.5045 7.9582 8.3802 12.1319 12.1450 14.9186 14.9977 16.2119 16.3849 20.2736 20.3502 k = 0.2898-0.3310 0.6018 ( 1178 PWs) bands (ev): -8.8122 -8.7852 1.1179 1.2540 2.0148 2.1733 2.5448 2.6214 3.6462 3.6960 4.3059 4.4778 6.1388 6.1877 6.4320 6.4786 8.0527 8.4465 12.1224 12.1349 14.9043 14.9808 16.1579 16.3189 20.4151 20.4928 k = 0.2949-0.3369 0.5935 ( 1176 PWs) bands (ev): -8.8145 -8.7894 1.1106 1.2410 2.0029 2.1586 2.5433 2.6095 3.6626 3.6998 4.2957 4.4660 6.1576 6.1872 6.4200 6.4539 8.1447 8.5096 12.1118 12.1233 14.8914 14.9647 16.1072 16.2556 20.5586 20.6364 k = 0.3001-0.3428 0.5851 ( 1178 PWs) bands (ev): -8.8165 -8.7934 1.1047 1.2282 1.9928 2.1433 2.5424 2.5988 3.6784 3.7042 4.2869 4.4534 6.1741 6.1857 6.4095 6.4308 8.2336 8.5688 12.1004 12.1106 14.8798 14.9494 16.0601 16.1956 20.7029 20.7797 k = 0.3053-0.3488 0.5768 ( 1178 PWs) bands (ev): -8.8183 -8.7972 1.1004 1.2156 1.9846 2.1277 2.5419 2.5895 3.6934 3.7090 4.2797 4.4401 6.1836 6.1881 6.4004 6.4094 8.3187 8.6235 12.0884 12.0971 14.8696 14.9349 16.0171 16.1394 20.8466 20.9212 k = 0.3104-0.3547 0.5684 ( 1181 PWs) bands (ev): -8.8197 -8.8008 1.0975 1.2032 1.9785 2.1119 2.5416 2.5813 3.7072 3.7143 4.2745 4.4263 6.1815 6.1996 6.3903 6.3925 8.3993 8.6730 12.0762 12.0834 14.8609 14.9212 15.9786 16.0874 20.9880 21.0592 k = 0.3156-0.3606 0.5601 ( 1179 PWs) bands (ev): -8.8209 -8.8041 1.0961 1.1912 1.9744 2.0960 2.5416 2.5742 3.7195 3.7198 4.2712 4.4119 6.1797 6.2084 6.3738 6.3854 8.4747 8.7165 12.0641 12.0698 14.8537 14.9083 15.9447 16.0400 21.1250 21.1917 k = 0.3208-0.3665 0.5517 ( 1181 PWs) bands (ev): -8.8218 -8.8073 1.0960 1.1796 1.9725 2.0804 2.5419 2.5681 3.7254 3.7301 4.2702 4.3971 6.1785 6.2141 6.3605 6.3790 8.5442 8.7533 12.0525 12.0568 14.8480 14.8963 15.9158 15.9974 21.2553 21.3160 k = 0.3259-0.3724 0.5433 ( 1181 PWs) bands (ev): -8.8223 -8.8102 1.0973 1.1684 1.9726 2.0652 2.5423 2.5630 3.7311 3.7387 4.2715 4.3820 6.1784 6.2165 6.3509 6.3730 8.6072 8.7829 12.0419 12.0449 14.8438 14.8853 15.8921 15.9600 21.3760 21.4295 k = 0.3311-0.3783 0.5350 ( 1179 PWs) bands (ev): -8.8225 -8.8128 1.0999 1.1577 1.9748 2.0505 2.5429 2.5587 3.7365 3.7453 4.2751 4.3669 6.1793 6.2157 6.3451 6.3674 8.6630 8.8046 12.0325 12.0346 14.8413 14.8752 15.8737 15.9280 21.4838 21.5288 k = 0.3363-0.3842 0.5266 ( 1177 PWs) bands (ev): -8.8224 -8.8151 1.1037 1.1475 1.9789 2.0366 2.5436 2.5550 3.7416 3.7499 4.2810 4.3519 6.1815 6.2122 6.3426 6.3621 8.7112 8.8180 12.0248 12.0261 14.8403 14.8662 15.8608 15.9014 21.5749 21.6101 k = 0.3414-0.3901 0.5183 ( 1179 PWs) bands (ev): -8.8220 -8.8171 1.1086 1.1380 1.9848 2.0236 2.5446 2.5520 3.7460 3.7524 4.2890 4.3374 6.1849 6.2070 6.3428 6.3572 8.7511 8.8227 12.0190 12.0197 14.8409 14.8585 15.8534 15.8804 21.6456 21.6699 k = 0.3466-0.3960 0.5099 ( 1181 PWs) bands (ev): -8.8213 -8.8188 1.1146 1.1293 1.9924 2.0117 2.5459 2.5496 3.7495 3.7530 4.2990 4.3235 6.1895 6.2010 6.3450 6.3525 8.7824 8.8183 12.0155 12.0158 14.8431 14.8519 15.8516 15.8651 21.6923 21.7047 k = 0.3518-0.4019 0.5015 ( 1181 PWs) bands (ev): -8.8202 -8.8202 1.1214 1.1216 2.0011 2.0015 2.5475 2.5476 3.7519 3.7521 4.3105 4.3106 6.1949 6.1951 6.3483 6.3484 8.8049 8.8049 12.0144 12.0144 14.8468 14.8468 15.8555 15.8555 21.7124 21.7124 k = 0.6482 0.2683 0.2113 ( 1181 PWs) bands (ev): -8.8202 -8.8202 1.1214 1.1216 2.0011 2.0015 2.5475 2.5476 3.7519 3.7521 4.3105 4.3106 6.1949 6.1951 6.3483 6.3484 8.8049 8.8049 12.0144 12.0144 14.8468 14.8468 15.8555 15.8555 21.7124 21.7124 k = 0.6427 0.2746 0.2035 ( 1181 PWs) bands (ev): -8.8239 -8.8239 1.1298 1.1300 2.0225 2.0230 2.5571 2.5572 3.7622 3.7624 4.3221 4.3223 6.1608 6.1610 6.3572 6.3573 8.7601 8.7602 11.9219 11.9219 14.8424 14.8424 15.9571 15.9571 21.7164 21.7164 k = 0.6372 0.2809 0.1957 ( 1177 PWs) bands (ev): -8.8279 -8.8279 1.1381 1.1384 2.0442 2.0447 2.5666 2.5667 3.7734 3.7736 4.3341 4.3342 6.1140 6.1142 6.3797 6.3798 8.7150 8.7151 11.8265 11.8265 14.8363 14.8363 16.0665 16.0665 21.7215 21.7216 k = 0.6317 0.2871 0.1878 ( 1176 PWs) bands (ev): -8.8320 -8.8320 1.1464 1.1467 2.0661 2.0665 2.5760 2.5761 3.7855 3.7857 4.3463 4.3464 6.0619 6.0620 6.4088 6.4088 8.6696 8.6697 11.7289 11.7289 14.8292 14.8292 16.1821 16.1821 21.7276 21.7276 k = 0.6263 0.2934 0.1800 ( 1176 PWs) bands (ev): -8.8363 -8.8363 1.1546 1.1548 2.0881 2.0885 2.5853 2.5853 3.7985 3.7987 4.3587 4.3588 6.0073 6.0074 6.4414 6.4414 8.6241 8.6242 11.6296 11.6296 14.8215 14.8215 16.3028 16.3028 21.7343 21.7344 k = 0.6208 0.2997 0.1722 ( 1172 PWs) bands (ev): -8.8407 -8.8407 1.1625 1.1627 2.1100 2.1105 2.5944 2.5945 3.8124 3.8126 4.3712 4.3713 5.9516 5.9516 6.4764 6.4765 8.5788 8.5789 11.5291 11.5291 14.8136 14.8136 16.4274 16.4274 21.7418 21.7418 k = 0.6153 0.3059 0.1644 ( 1172 PWs) bands (ev): -8.8452 -8.8452 1.1702 1.1705 2.1319 2.1323 2.6033 2.6034 3.8274 3.8275 4.3839 4.3840 5.8953 5.8954 6.5134 6.5134 8.5338 8.5338 11.4279 11.4279 14.8056 14.8057 16.5550 16.5550 21.7496 21.7496 k = 0.6098 0.3122 0.1565 ( 1176 PWs) bands (ev): -8.8497 -8.8497 1.1777 1.1779 2.1535 2.1540 2.6120 2.6121 3.8432 3.8434 4.3966 4.3967 5.8389 5.8390 6.5519 6.5519 8.4892 8.4893 11.3263 11.3264 14.7979 14.7979 16.6848 16.6848 21.7577 21.7578 k = 0.6043 0.3185 0.1487 ( 1176 PWs) bands (ev): -8.8543 -8.8543 1.1848 1.1850 2.1749 2.1753 2.6205 2.6207 3.8601 3.8603 4.4093 4.4094 5.7827 5.7827 6.5919 6.5919 8.4454 8.4455 11.2249 11.2249 14.7904 14.7904 16.8161 16.8161 21.7662 21.7662 k = 0.5988 0.3248 0.1409 ( 1176 PWs) bands (ev): -8.8588 -8.8588 1.1916 1.1918 2.1959 2.1963 2.6288 2.6289 3.8778 3.8780 4.4220 4.4221 5.7268 5.7268 6.6330 6.6330 8.4025 8.4026 11.1239 11.1239 14.7833 14.7833 16.9480 16.9481 21.7747 21.7747 k = 0.5933 0.3310 0.1330 ( 1174 PWs) bands (ev): -8.8633 -8.8633 1.1981 1.1983 2.2164 2.2168 2.6368 2.6369 3.8965 3.8967 4.4345 4.4346 5.6714 5.6714 6.6753 6.6753 8.3607 8.3608 11.0238 11.0238 14.7766 14.7766 17.0801 17.0801 21.7831 21.7831 k = 0.5878 0.3373 0.1252 ( 1180 PWs) bands (ev): -8.8677 -8.8677 1.2041 1.2043 2.2363 2.2367 2.6445 2.6447 3.9160 3.9162 4.4468 4.4469 5.6167 5.6168 6.7183 6.7184 8.3202 8.3203 10.9250 10.9250 14.7704 14.7704 17.2114 17.2114 21.7914 21.7914 k = 0.5823 0.3436 0.1174 ( 1176 PWs) bands (ev): -8.8720 -8.8720 1.2098 1.2100 2.2556 2.2560 2.6520 2.6521 3.9363 3.9364 4.4588 4.4589 5.5630 5.5630 6.7621 6.7621 8.2811 8.2812 10.8278 10.8278 14.7646 14.7646 17.3415 17.3415 21.7995 21.7995 k = 0.5769 0.3498 0.1096 ( 1178 PWs) bands (ev): -8.8761 -8.8761 1.2150 1.2152 2.2741 2.2745 2.6591 2.6592 3.9572 3.9574 4.4705 4.4706 5.5103 5.5103 6.8063 6.8063 8.2437 8.2438 10.7327 10.7327 14.7594 14.7594 17.4694 17.4694 21.8072 21.8072 k = 0.5714 0.3561 0.1017 ( 1174 PWs) bands (ev): -8.8801 -8.8801 1.2199 1.2200 2.2918 2.2922 2.6658 2.6660 3.9787 3.9788 4.4817 4.4818 5.4589 5.4589 6.8507 6.8507 8.2081 8.2082 10.6401 10.6402 14.7545 14.7545 17.5946 17.5946 21.8145 21.8145 k = 0.5659 0.3624 0.0939 ( 1174 PWs) bands (ev): -8.8839 -8.8839 1.2243 1.2244 2.3086 2.3090 2.6722 2.6724 4.0006 4.0007 4.4924 4.4925 5.4090 5.4090 6.8949 6.8949 8.1745 8.1745 10.5506 10.5507 14.7501 14.7501 17.7162 17.7162 21.8212 21.8213 k = 0.5604 0.3687 0.0861 ( 1174 PWs) bands (ev): -8.8875 -8.8875 1.2283 1.2284 2.3244 2.3247 2.6783 2.6784 4.0228 4.0229 4.5026 4.5027 5.3608 5.3609 6.9385 6.9385 8.1430 8.1430 10.4647 10.4647 14.7462 14.7462 17.8334 17.8334 21.8274 21.8274 k = 0.5549 0.3749 0.0783 ( 1178 PWs) bands (ev): -8.8909 -8.8909 1.2319 1.2320 2.3391 2.3394 2.6839 2.6840 4.0450 4.0451 4.5121 4.5121 5.3146 5.3147 6.9811 6.9812 8.1138 8.1139 10.3829 10.3829 14.7426 14.7426 17.9453 17.9453 21.8329 21.8329 k = 0.5494 0.3812 0.0704 ( 1176 PWs) bands (ev): -8.8940 -8.8940 1.2351 1.2352 2.3526 2.3529 2.6890 2.6892 4.0670 4.0671 4.5209 4.5209 5.2708 5.2708 7.0223 7.0224 8.0870 8.0871 10.3058 10.3058 14.7395 14.7395 18.0509 18.0510 21.8377 21.8377 k = 0.5439 0.3875 0.0626 ( 1176 PWs) bands (ev): -8.8968 -8.8968 1.2379 1.2380 2.3649 2.3652 2.6938 2.6939 4.0885 4.0886 4.5289 4.5290 5.2295 5.2296 7.0615 7.0615 8.0629 8.0629 10.2340 10.2340 14.7367 14.7367 18.1494 18.1494 21.8419 21.8419 k = 0.5384 0.3937 0.0548 ( 1172 PWs) bands (ev): -8.8993 -8.8993 1.2404 1.2405 2.3760 2.3762 2.6980 2.6981 4.1091 4.1092 4.5361 4.5362 5.1914 5.1914 7.0982 7.0982 8.0414 8.0414 10.1683 10.1684 14.7344 14.7344 18.2397 18.2397 21.8453 21.8453 k = 0.5329 0.4000 0.0470 ( 1172 PWs) bands (ev): -8.9015 -8.9015 1.2425 1.2426 2.3857 2.3859 2.7017 2.7018 4.1285 4.1286 4.5425 4.5425 5.1567 5.1567 7.1316 7.1316 8.0226 8.0227 10.1094 10.1094 14.7323 14.7323 18.3207 18.3207 21.8481 21.8481 k = 0.5274 0.4063 0.0391 ( 1168 PWs) bands (ev): -8.9034 -8.9034 1.2442 1.2443 2.3940 2.3942 2.7049 2.7050 4.1462 4.1463 4.5479 4.5480 5.1261 5.1261 7.1613 7.1613 8.0067 8.0068 10.0580 10.0580 14.7306 14.7306 18.3915 18.3915 21.8502 21.8502 k = 0.5220 0.4126 0.0313 ( 1166 PWs) bands (ev): -8.9050 -8.9050 1.2456 1.2457 2.4008 2.4010 2.7076 2.7076 4.1617 4.1618 4.5524 4.5525 5.0999 5.0999 7.1865 7.1865 7.9937 7.9938 10.0147 10.0147 14.7292 14.7292 18.4510 18.4510 21.8518 21.8518 k = 0.5165 0.4188 0.0235 ( 1166 PWs) bands (ev): -8.9063 -8.9063 1.2467 1.2468 2.4062 2.4063 2.7097 2.7097 4.1745 4.1745 4.5559 4.5560 5.0789 5.0789 7.2068 7.2069 7.9836 7.9836 9.9803 9.9803 14.7282 14.7282 18.4984 18.4984 21.8529 21.8529 k = 0.5110 0.4251 0.0157 ( 1166 PWs) bands (ev): -8.9071 -8.9071 1.2475 1.2475 2.4101 2.4102 2.7112 2.7112 4.1840 4.1840 4.5585 4.5585 5.0634 5.0634 7.2217 7.2217 7.9764 7.9764 9.9552 9.9552 14.7274 14.7274 18.5328 18.5328 21.8536 21.8536 k = 0.5055 0.4314 0.0078 ( 1170 PWs) bands (ev): -8.9077 -8.9077 1.2479 1.2480 2.4124 2.4125 2.7121 2.7121 4.1899 4.1899 4.5600 4.5600 5.0539 5.0539 7.2308 7.2308 7.9720 7.9721 9.9400 9.9400 14.7270 14.7270 18.5537 18.5537 21.8539 21.8539 k = 0.5000 0.4376 0.0000 ( 1170 PWs) bands (ev): -8.9079 -8.9079 1.2481 1.2481 2.4132 2.4132 2.7124 2.7124 4.1919 4.1919 4.5605 4.5605 5.0507 5.0507 7.2338 7.2338 7.9706 7.9706 9.9349 9.9349 14.7268 14.7268 18.5607 18.5607 21.8541 21.8541 Writing output data file HgO.save init_run : 0.34s CPU 0.69s WALL ( 1 calls) electrons : 130.06s CPU 131.96s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 130.05s CPU 131.95s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.04s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.02s WALL ( 529 calls) cegterg : 125.57s CPU 127.12s WALL ( 1059 calls) Called by sum_band: Called by *egterg: h_psi : 72.53s CPU 80.28s WALL ( 16778 calls) s_psi : 4.34s CPU 4.66s WALL ( 16778 calls) g_psi : 0.17s CPU 0.18s WALL ( 15190 calls) cdiaghg : 34.74s CPU 34.78s WALL ( 15719 calls) cegterg:over : 4.87s CPU 4.83s WALL ( 15190 calls) cegterg:upda : 1.45s CPU 1.48s WALL ( 15190 calls) cegterg:last : 1.21s CPU 1.26s WALL ( 4250 calls) Called by h_psi: h_psi:vloc : 67.24s CPU 74.92s WALL ( 16778 calls) h_psi:vnl : 5.26s CPU 5.27s WALL ( 16778 calls) add_vuspsi : 2.61s CPU 2.77s WALL ( 16778 calls) General routines calbec : 2.64s CPU 2.46s WALL ( 16778 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.02s WALL ( 4 calls) fftw : 64.35s CPU 70.95s WALL ( 1325548 calls) interpolate : 0.01s CPU 0.03s WALL ( 4 calls) davcio : 0.20s CPU 0.12s WALL ( 1058 calls) Parallel routines fft_scatter : 53.15s CPU 56.20s WALL ( 1325571 calls) PWSCF : 2m25.23s CPU 2m30.86s WALL This run was terminated on: 14:31:19 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=