Program PWSCF v.5.1.1 starts on 18Jul2015 at 13: 4:59 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TaP.save/ 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 41 27 8 639 341 59 Max 42 28 9 640 357 61 Sum 2005 1335 411 30691 16657 2873 bravais-lattice index = 14 lattice parameter (alat) = 11.6161 a.u. unit-cell volume = 422.1988 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 265.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.616103 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.854285 celldm(5)= -0.854285 celldm(6)= 0.708570 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.708570 0.705641 0.000000 ) a(3) = ( -0.854285 -0.352820 0.381726 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.004152 1.309839 ) b(2) = ( 0.000000 1.417152 1.309839 ) b(3) = ( 0.000000 0.000000 2.619678 ) PseudoPot. # 1 for Ta read from file: /home/autes/Pseudo/Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: ce7a4fa75595c0f83f911fa846a48acf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1273 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 P read from file: /home/autes/Pseudo/P.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: 782f947b08835e3b01fca5c2a6fe19fa Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1147 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 Ta 13.00 180.94790 Ta( 1.00) P 5.00 30.97380 P( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( 1 0 0 ) f =( 0.2500000 ) ( 0 1 0 ) ( -0.2500000 ) ( -1 -1 -1 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.3542850 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.3528203 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.1908632 ) double point group C_s (m) there are 4 classes and 2 irreducible representations the character table: E -E s -s G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E s -s G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class: E 1 s 2 -E -1 -s -2 Cartesian axes number of k points= 406 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0000000 0.0000000 0.0195498), wk = 0.0024631 k( 3) = ( 0.0000000 0.0000000 0.0390997), wk = 0.0024631 k( 4) = ( 0.0000000 0.0000000 0.0586495), wk = 0.0024631 k( 5) = ( 0.0000000 0.0000000 0.0781993), wk = 0.0024631 k( 6) = ( 0.0000000 0.0000000 0.0977492), wk = 0.0024631 k( 7) = ( 0.0000000 0.0000000 0.1172990), wk = 0.0024631 k( 8) = ( 0.0000000 0.0000000 0.1368489), wk = 0.0024631 k( 9) = ( 0.0000000 0.0000000 0.1563987), wk = 0.0024631 k( 10) = ( 0.0000000 0.0000000 0.1759485), wk = 0.0024631 k( 11) = ( 0.0000000 0.0000000 0.1954984), wk = 0.0024631 k( 12) = ( 0.0000000 0.0000000 0.2150482), wk = 0.0024631 k( 13) = ( 0.0000000 0.0000000 0.2345980), wk = 0.0024631 k( 14) = ( 0.0000000 0.0000000 0.2541479), wk = 0.0024631 k( 15) = ( 0.0000000 0.0000000 0.2736977), wk = 0.0024631 k( 16) = ( 0.0000000 0.0000000 0.2932475), wk = 0.0024631 k( 17) = ( 0.0000000 0.0000000 0.3127974), wk = 0.0024631 k( 18) = ( 0.0000000 0.0000000 0.3323472), wk = 0.0024631 k( 19) = ( 0.0000000 0.0000000 0.3518970), wk = 0.0024631 k( 20) = ( 0.0000000 0.0000000 0.3714468), wk = 0.0024631 k( 21) = ( 0.0000000 0.0000000 0.3909967), wk = 0.0024631 k( 22) = ( 0.0000000 0.0000000 0.4105465), wk = 0.0024631 k( 23) = ( 0.0000000 0.0000000 0.4300963), wk = 0.0024631 k( 24) = ( 0.0000000 0.0000000 0.4496462), wk = 0.0024631 k( 25) = ( 0.0000000 0.0000000 0.4691960), wk = 0.0024631 k( 26) = ( 0.0000000 0.0000000 0.4887458), wk = 0.0024631 k( 27) = ( 0.0000000 0.0000000 0.5082957), wk = 0.0024631 k( 28) = ( 0.0000000 0.0000000 0.5278455), wk = 0.0024631 k( 29) = ( 0.0000000 0.0000000 0.5473954), wk = 0.0024631 k( 30) = ( 0.0000000 0.0000000 0.5669452), wk = 0.0024631 k( 31) = ( 0.0000000 0.0000000 0.5864950), wk = 0.0024631 k( 32) = ( 0.0000000 0.0000000 0.6060449), wk = 0.0024631 k( 33) = ( 0.0000000 0.0000000 0.6255947), wk = 0.0024631 k( 34) = ( 0.0000000 0.0000000 0.6451445), wk = 0.0024631 k( 35) = ( 0.0000000 0.0000000 0.6646944), wk = 0.0024631 k( 36) = ( 0.0000000 0.0000000 0.6842442), wk = 0.0024631 k( 37) = ( 0.0000000 0.0000000 0.7037940), wk = 0.0024631 k( 38) = ( 0.0000000 0.0000000 0.7233439), wk = 0.0024631 k( 39) = ( 0.0000000 0.0000000 0.7428937), wk = 0.0024631 k( 40) = ( 0.0000000 0.0000000 0.7624436), wk = 0.0024631 k( 41) = ( 0.0000000 0.0000000 0.7819934), wk = 0.0024631 k( 42) = ( 0.0000000 0.0000000 0.8015432), wk = 0.0024631 k( 43) = ( 0.0000000 0.0000000 0.8210931), wk = 0.0024631 k( 44) = ( 0.0000000 0.0000000 0.8406429), wk = 0.0024631 k( 45) = ( 0.0000000 0.0000000 0.8601927), wk = 0.0024631 k( 46) = ( 0.0000000 0.0000000 0.8797426), wk = 0.0024631 k( 47) = ( 0.0000000 0.0000000 0.8992924), wk = 0.0024631 k( 48) = ( 0.0000000 0.0000000 0.9188422), wk = 0.0024631 k( 49) = ( 0.0000000 0.0000000 0.9383921), wk = 0.0024631 k( 50) = ( 0.0000000 0.0000000 0.9579419), wk = 0.0024631 k( 51) = ( 0.0000000 0.0000000 0.9774917), wk = 0.0024631 k( 52) = ( 0.0000000 0.0000000 0.9970415), wk = 0.0024631 k( 53) = ( 0.0000000 0.0000000 1.0165914), wk = 0.0024631 k( 54) = ( 0.0000000 0.0000000 1.0361412), wk = 0.0024631 k( 55) = ( 0.0000000 0.0000000 1.0556910), wk = 0.0024631 k( 56) = ( 0.0000000 0.0000000 1.0752409), wk = 0.0024631 k( 57) = ( 0.0000000 0.0000000 1.0947907), wk = 0.0024631 k( 58) = ( 0.0000000 0.0000000 1.1143406), wk = 0.0024631 k( 59) = ( 0.0000000 0.0000000 1.1338904), wk = 0.0024631 k( 60) = ( 0.0000000 0.0000000 1.1534402), wk = 0.0024631 k( 61) = ( 0.0000000 0.0000000 1.1729901), wk = 0.0024631 k( 62) = ( 0.0000000 0.0000000 1.1925399), wk = 0.0024631 k( 63) = ( 0.0000000 0.0000000 1.2120897), wk = 0.0024631 k( 64) = ( 0.0000000 0.0000000 1.2316396), wk = 0.0024631 k( 65) = ( 0.0000000 0.0000000 1.2511894), wk = 0.0024631 k( 66) = ( 0.0000000 0.0000000 1.2707392), wk = 0.0024631 k( 67) = ( 0.0000000 0.0000000 1.2902891), wk = 0.0024631 k( 68) = ( 0.0000000 0.0000000 1.3098389), wk = 0.0024631 k( 69) = ( 0.0000000 0.0000000 1.3098389), wk = 0.0024631 k( 70) = ( -0.0071071 0.0172084 1.3098389), wk = 0.0024631 k( 71) = ( -0.0142141 0.0344167 1.3098389), wk = 0.0024631 k( 72) = ( -0.0213212 0.0516251 1.3098389), wk = 0.0024631 k( 73) = ( -0.0284282 0.0688334 1.3098389), wk = 0.0024631 k( 74) = ( -0.0355353 0.0860418 1.3098389), wk = 0.0024631 k( 75) = ( -0.0426424 0.1032502 1.3098389), wk = 0.0024631 k( 76) = ( -0.0426424 0.1032502 1.3098389), wk = 0.0024631 k( 77) = ( -0.0478396 0.1158343 1.2962238), wk = 0.0024631 k( 78) = ( -0.0530369 0.1284184 1.2826087), wk = 0.0024631 k( 79) = ( -0.0582341 0.1410025 1.2689936), wk = 0.0024631 k( 80) = ( -0.0634314 0.1535866 1.2553785), wk = 0.0024631 k( 81) = ( -0.0686286 0.1661707 1.2417634), wk = 0.0024631 k( 82) = ( -0.0738259 0.1787548 1.2281483), wk = 0.0024631 k( 83) = ( -0.0790231 0.1913389 1.2145331), wk = 0.0024631 k( 84) = ( -0.0842203 0.2039230 1.2009180), wk = 0.0024631 k( 85) = ( -0.0894176 0.2165071 1.1873029), wk = 0.0024631 k( 86) = ( -0.0946148 0.2290913 1.1736878), wk = 0.0024631 k( 87) = ( -0.0998121 0.2416754 1.1600727), wk = 0.0024631 k( 88) = ( -0.1050093 0.2542595 1.1464576), wk = 0.0024631 k( 89) = ( -0.1102066 0.2668436 1.1328425), wk = 0.0024631 k( 90) = ( -0.1154038 0.2794277 1.1192274), wk = 0.0024631 k( 91) = ( -0.1206011 0.2920118 1.1056123), wk = 0.0024631 k( 92) = ( -0.1257983 0.3045959 1.0919972), wk = 0.0024631 k( 93) = ( -0.1309956 0.3171800 1.0783820), wk = 0.0024631 k( 94) = ( -0.1361928 0.3297641 1.0647669), wk = 0.0024631 k( 95) = ( -0.1413900 0.3423483 1.0511518), wk = 0.0024631 k( 96) = ( -0.1465873 0.3549324 1.0375367), wk = 0.0024631 k( 97) = ( -0.1517845 0.3675165 1.0239216), wk = 0.0024631 k( 98) = ( -0.1569818 0.3801006 1.0103065), wk = 0.0024631 k( 99) = ( -0.1621790 0.3926847 0.9966914), wk = 0.0024631 k( 100) = ( -0.1673763 0.4052688 0.9830763), wk = 0.0024631 k( 101) = ( -0.1725735 0.4178529 0.9694612), wk = 0.0024631 k( 102) = ( -0.1777708 0.4304370 0.9558461), wk = 0.0024631 k( 103) = ( -0.1829680 0.4430212 0.9422310), wk = 0.0024631 k( 104) = ( -0.1881653 0.4556052 0.9286158), wk = 0.0024631 k( 105) = ( -0.1933625 0.4681894 0.9150008), wk = 0.0024631 k( 106) = ( -0.1985598 0.4807735 0.9013856), wk = 0.0024631 k( 107) = ( -0.2037570 0.4933576 0.8877705), wk = 0.0024631 k( 108) = ( -0.2089542 0.5059417 0.8741554), wk = 0.0024631 k( 109) = ( -0.2141515 0.5185258 0.8605403), wk = 0.0024631 k( 110) = ( -0.2193487 0.5311099 0.8469252), wk = 0.0024631 k( 111) = ( -0.2245460 0.5436940 0.8333101), wk = 0.0024631 k( 112) = ( -0.2297432 0.5562781 0.8196950), wk = 0.0024631 k( 113) = ( -0.2349405 0.5688622 0.8060799), wk = 0.0024631 k( 114) = ( -0.2401377 0.5814464 0.7924648), wk = 0.0024631 k( 115) = ( -0.2453350 0.5940305 0.7788497), wk = 0.0024631 k( 116) = ( -0.2505322 0.6066146 0.7652345), wk = 0.0024631 k( 117) = ( -0.2557295 0.6191987 0.7516194), wk = 0.0024631 k( 118) = ( -0.2609267 0.6317828 0.7380043), wk = 0.0024631 k( 119) = ( -0.2661239 0.6443669 0.7243892), wk = 0.0024631 k( 120) = ( -0.2713212 0.6569510 0.7107741), wk = 0.0024631 k( 121) = ( -0.2713212 0.6569510 0.7107741), wk = 0.0024631 k( 122) = ( -0.2661035 0.6443174 0.6971054), wk = 0.0024631 k( 123) = ( -0.2608858 0.6316837 0.6834366), wk = 0.0024631 k( 124) = ( -0.2556680 0.6190500 0.6697679), wk = 0.0024631 k( 125) = ( -0.2504503 0.6064163 0.6560992), wk = 0.0024631 k( 126) = ( -0.2452326 0.5937827 0.6424305), wk = 0.0024631 k( 127) = ( -0.2400149 0.5811490 0.6287617), wk = 0.0024631 k( 128) = ( -0.2347972 0.5685153 0.6150930), wk = 0.0024631 k( 129) = ( -0.2295795 0.5558816 0.6014242), wk = 0.0024631 k( 130) = ( -0.2243617 0.5432479 0.5877555), wk = 0.0024631 k( 131) = ( -0.2191440 0.5306143 0.5740868), wk = 0.0024631 k( 132) = ( -0.2139263 0.5179806 0.5604180), wk = 0.0024631 k( 133) = ( -0.2087086 0.5053469 0.5467493), wk = 0.0024631 k( 134) = ( -0.2034909 0.4927133 0.5330806), wk = 0.0024631 k( 135) = ( -0.1982732 0.4800796 0.5194119), wk = 0.0024631 k( 136) = ( -0.1930555 0.4674459 0.5057431), wk = 0.0024631 k( 137) = ( -0.1878377 0.4548122 0.4920744), wk = 0.0024631 k( 138) = ( -0.1826200 0.4421786 0.4784056), wk = 0.0024631 k( 139) = ( -0.1774023 0.4295449 0.4647369), wk = 0.0024631 k( 140) = ( -0.1721846 0.4169112 0.4510682), wk = 0.0024631 k( 141) = ( -0.1669669 0.4042776 0.4373995), wk = 0.0024631 k( 142) = ( -0.1617492 0.3916439 0.4237307), wk = 0.0024631 k( 143) = ( -0.1565315 0.3790102 0.4100620), wk = 0.0024631 k( 144) = ( -0.1513137 0.3663765 0.3963932), wk = 0.0024631 k( 145) = ( -0.1460960 0.3537429 0.3827245), wk = 0.0024631 k( 146) = ( -0.1408783 0.3411092 0.3690558), wk = 0.0024631 k( 147) = ( -0.1356606 0.3284755 0.3553871), wk = 0.0024631 k( 148) = ( -0.1304429 0.3158418 0.3417183), wk = 0.0024631 k( 149) = ( -0.1252252 0.3032082 0.3280496), wk = 0.0024631 k( 150) = ( -0.1200075 0.2905745 0.3143809), wk = 0.0024631 k( 151) = ( -0.1147897 0.2779408 0.3007121), wk = 0.0024631 k( 152) = ( -0.1095720 0.2653071 0.2870434), wk = 0.0024631 k( 153) = ( -0.1043543 0.2526735 0.2733746), wk = 0.0024631 k( 154) = ( -0.0991366 0.2400398 0.2597059), wk = 0.0024631 k( 155) = ( -0.0939189 0.2274061 0.2460372), wk = 0.0024631 k( 156) = ( -0.0887012 0.2147725 0.2323685), wk = 0.0024631 k( 157) = ( -0.0834834 0.2021388 0.2186997), wk = 0.0024631 k( 158) = ( -0.0782657 0.1895051 0.2050310), wk = 0.0024631 k( 159) = ( -0.0730480 0.1768714 0.1913623), wk = 0.0024631 k( 160) = ( -0.0678303 0.1642378 0.1776935), wk = 0.0024631 k( 161) = ( -0.0626126 0.1516041 0.1640248), wk = 0.0024631 k( 162) = ( -0.0573949 0.1389704 0.1503561), wk = 0.0024631 k( 163) = ( -0.0521771 0.1263367 0.1366873), wk = 0.0024631 k( 164) = ( -0.0469594 0.1137031 0.1230186), wk = 0.0024631 k( 165) = ( -0.0417417 0.1010694 0.1093499), wk = 0.0024631 k( 166) = ( -0.0365240 0.0884357 0.0956811), wk = 0.0024631 k( 167) = ( -0.0313063 0.0758020 0.0820124), wk = 0.0024631 k( 168) = ( -0.0260886 0.0631684 0.0683437), wk = 0.0024631 k( 169) = ( -0.0208709 0.0505347 0.0546749), wk = 0.0024631 k( 170) = ( -0.0156532 0.0379010 0.0410062), wk = 0.0024631 k( 171) = ( -0.0104354 0.0252673 0.0273375), wk = 0.0024631 k( 172) = ( -0.0052177 0.0126337 0.0136687), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 175) = ( 0.0178571 0.0073750 0.0000000), wk = 0.0024631 k( 176) = ( 0.0357143 0.0147500 0.0000000), wk = 0.0024631 k( 177) = ( 0.0535714 0.0221250 0.0000000), wk = 0.0024631 k( 178) = ( 0.0714286 0.0295000 0.0000000), wk = 0.0024631 k( 179) = ( 0.0892857 0.0368751 0.0000000), wk = 0.0024631 k( 180) = ( 0.1071429 0.0442501 0.0000000), wk = 0.0024631 k( 181) = ( 0.1250000 0.0516251 0.0000000), wk = 0.0024631 k( 182) = ( 0.1428571 0.0590001 0.0000000), wk = 0.0024631 k( 183) = ( 0.1607143 0.0663751 0.0000000), wk = 0.0024631 k( 184) = ( 0.1785714 0.0737501 0.0000000), wk = 0.0024631 k( 185) = ( 0.1964286 0.0811251 0.0000000), wk = 0.0024631 k( 186) = ( 0.2142857 0.0885001 0.0000000), wk = 0.0024631 k( 187) = ( 0.2321429 0.0958752 0.0000000), wk = 0.0024631 k( 188) = ( 0.2500000 0.1032502 0.0000000), wk = 0.0024631 k( 189) = ( 0.2678571 0.1106252 0.0000000), wk = 0.0024631 k( 190) = ( 0.2857143 0.1180002 0.0000000), wk = 0.0024631 k( 191) = ( 0.3035714 0.1253752 0.0000000), wk = 0.0024631 k( 192) = ( 0.3214286 0.1327502 0.0000000), wk = 0.0024631 k( 193) = ( 0.3392857 0.1401252 0.0000000), wk = 0.0024631 k( 194) = ( 0.3571429 0.1475002 0.0000000), wk = 0.0024631 k( 195) = ( 0.3750000 0.1548752 0.0000000), wk = 0.0024631 k( 196) = ( 0.3928571 0.1622503 0.0000000), wk = 0.0024631 k( 197) = ( 0.4107143 0.1696253 0.0000000), wk = 0.0024631 k( 198) = ( 0.4285714 0.1770003 0.0000000), wk = 0.0024631 k( 199) = ( 0.4464286 0.1843753 0.0000000), wk = 0.0024631 k( 200) = ( 0.4642857 0.1917503 0.0000000), wk = 0.0024631 k( 201) = ( 0.4821429 0.1991253 0.0000000), wk = 0.0024631 k( 202) = ( 0.5000000 0.2065003 0.0000000), wk = 0.0024631 k( 203) = ( 0.5000000 0.2065003 0.0000000), wk = 0.0024631 k( 204) = ( 0.4948028 0.2190844 0.0136151), wk = 0.0024631 k( 205) = ( 0.4896055 0.2316685 0.0272302), wk = 0.0024631 k( 206) = ( 0.4844083 0.2442527 0.0408453), wk = 0.0024631 k( 207) = ( 0.4792110 0.2568368 0.0544604), wk = 0.0024631 k( 208) = ( 0.4740138 0.2694209 0.0680756), wk = 0.0024631 k( 209) = ( 0.4688165 0.2820050 0.0816906), wk = 0.0024631 k( 210) = ( 0.4636193 0.2945891 0.0953058), wk = 0.0024631 k( 211) = ( 0.4584220 0.3071732 0.1089209), wk = 0.0024631 k( 212) = ( 0.4532248 0.3197573 0.1225360), wk = 0.0024631 k( 213) = ( 0.4480275 0.3323414 0.1361511), wk = 0.0024631 k( 214) = ( 0.4428303 0.3449255 0.1497662), wk = 0.0024631 k( 215) = ( 0.4376331 0.3575097 0.1633813), wk = 0.0024631 k( 216) = ( 0.4324358 0.3700937 0.1769964), wk = 0.0024631 k( 217) = ( 0.4272386 0.3826779 0.1906115), wk = 0.0024631 k( 218) = ( 0.4220413 0.3952620 0.2042266), wk = 0.0024631 k( 219) = ( 0.4168441 0.4078461 0.2178417), wk = 0.0024631 k( 220) = ( 0.4116468 0.4204302 0.2314569), wk = 0.0024631 k( 221) = ( 0.4064496 0.4330143 0.2450720), wk = 0.0024631 k( 222) = ( 0.4012523 0.4455984 0.2586871), wk = 0.0024631 k( 223) = ( 0.3960551 0.4581825 0.2723022), wk = 0.0024631 k( 224) = ( 0.3908578 0.4707666 0.2859173), wk = 0.0024631 k( 225) = ( 0.3856606 0.4833507 0.2995324), wk = 0.0024631 k( 226) = ( 0.3804633 0.4959349 0.3131475), wk = 0.0024631 k( 227) = ( 0.3752661 0.5085190 0.3267626), wk = 0.0024631 k( 228) = ( 0.3700689 0.5211031 0.3403777), wk = 0.0024631 k( 229) = ( 0.3648716 0.5336872 0.3539928), wk = 0.0024631 k( 230) = ( 0.3596744 0.5462713 0.3676079), wk = 0.0024631 k( 231) = ( 0.3544771 0.5588554 0.3812231), wk = 0.0024631 k( 232) = ( 0.3492799 0.5714395 0.3948382), wk = 0.0024631 k( 233) = ( 0.3440826 0.5840236 0.4084533), wk = 0.0024631 k( 234) = ( 0.3388854 0.5966078 0.4220684), wk = 0.0024631 k( 235) = ( 0.3336881 0.6091919 0.4356835), wk = 0.0024631 k( 236) = ( 0.3284909 0.6217760 0.4492986), wk = 0.0024631 k( 237) = ( 0.3232936 0.6343601 0.4629137), wk = 0.0024631 k( 238) = ( 0.3180964 0.6469442 0.4765288), wk = 0.0024631 k( 239) = ( 0.3128992 0.6595283 0.4901439), wk = 0.0024631 k( 240) = ( 0.3077019 0.6721124 0.5037590), wk = 0.0024631 k( 241) = ( 0.3025047 0.6846965 0.5173741), wk = 0.0024631 k( 242) = ( 0.2973074 0.6972806 0.5309893), wk = 0.0024631 k( 243) = ( 0.2921102 0.7098647 0.5446044), wk = 0.0024631 k( 244) = ( 0.2869129 0.7224488 0.5582195), wk = 0.0024631 k( 245) = ( 0.2817157 0.7350330 0.5718346), wk = 0.0024631 k( 246) = ( 0.2765184 0.7476171 0.5854497), wk = 0.0024631 k( 247) = ( 0.2713212 0.7602012 0.5990648), wk = 0.0024631 k( 248) = ( 0.2713212 0.7602012 0.5990648), wk = 0.0024631 k( 249) = ( 0.2532331 0.7567595 0.6027884), wk = 0.0024631 k( 250) = ( 0.2351450 0.7533178 0.6065121), wk = 0.0024631 k( 251) = ( 0.2170569 0.7498762 0.6102357), wk = 0.0024631 k( 252) = ( 0.1989689 0.7464345 0.6139594), wk = 0.0024631 k( 253) = ( 0.1808808 0.7429928 0.6176830), wk = 0.0024631 k( 254) = ( 0.1627927 0.7395512 0.6214067), wk = 0.0024631 k( 255) = ( 0.1447046 0.7361095 0.6251303), wk = 0.0024631 k( 256) = ( 0.1266166 0.7326678 0.6288539), wk = 0.0024631 k( 257) = ( 0.1085285 0.7292261 0.6325776), wk = 0.0024631 k( 258) = ( 0.0904404 0.7257845 0.6363012), wk = 0.0024631 k( 259) = ( 0.0723523 0.7223428 0.6400249), wk = 0.0024631 k( 260) = ( 0.0542642 0.7189011 0.6437485), wk = 0.0024631 k( 261) = ( 0.0361762 0.7154594 0.6474722), wk = 0.0024631 k( 262) = ( 0.0180881 0.7120178 0.6511958), wk = 0.0024631 k( 263) = ( 0.0000000 0.7085761 0.6549195), wk = 0.0024631 k( 264) = ( 0.0000000 0.7085761 0.6549195), wk = 0.0024631 k( 265) = ( 0.0052083 0.6959651 0.6685636), wk = 0.0024631 k( 266) = ( 0.0104167 0.6833542 0.6822078), wk = 0.0024631 k( 267) = ( 0.0156250 0.6707432 0.6958519), wk = 0.0024631 k( 268) = ( 0.0208333 0.6581323 0.7094961), wk = 0.0024631 k( 269) = ( 0.0260417 0.6455213 0.7231402), wk = 0.0024631 k( 270) = ( 0.0312500 0.6329104 0.7367844), wk = 0.0024631 k( 271) = ( 0.0364583 0.6202994 0.7504285), wk = 0.0024631 k( 272) = ( 0.0416667 0.6076884 0.7640727), wk = 0.0024631 k( 273) = ( 0.0468750 0.5950775 0.7777169), wk = 0.0024631 k( 274) = ( 0.0520833 0.5824665 0.7913610), wk = 0.0024631 k( 275) = ( 0.0572917 0.5698556 0.8050052), wk = 0.0024631 k( 276) = ( 0.0625000 0.5572446 0.8186493), wk = 0.0024631 k( 277) = ( 0.0677083 0.5446337 0.8322935), wk = 0.0024631 k( 278) = ( 0.0729167 0.5320227 0.8459376), wk = 0.0024631 k( 279) = ( 0.0781250 0.5194117 0.8595818), wk = 0.0024631 k( 280) = ( 0.0833333 0.5068008 0.8732259), wk = 0.0024631 k( 281) = ( 0.0885417 0.4941898 0.8868701), wk = 0.0024631 k( 282) = ( 0.0937500 0.4815789 0.9005142), wk = 0.0024631 k( 283) = ( 0.0989583 0.4689679 0.9141584), wk = 0.0024631 k( 284) = ( 0.1041667 0.4563569 0.9278026), wk = 0.0024631 k( 285) = ( 0.1093750 0.4437460 0.9414467), wk = 0.0024631 k( 286) = ( 0.1145833 0.4311351 0.9550909), wk = 0.0024631 k( 287) = ( 0.1197917 0.4185241 0.9687350), wk = 0.0024631 k( 288) = ( 0.1250000 0.4059131 0.9823792), wk = 0.0024631 k( 289) = ( 0.1302083 0.3933022 0.9960233), wk = 0.0024631 k( 290) = ( 0.1354167 0.3806912 1.0096675), wk = 0.0024631 k( 291) = ( 0.1406250 0.3680803 1.0233116), wk = 0.0024631 k( 292) = ( 0.1458333 0.3554693 1.0369558), wk = 0.0024631 k( 293) = ( 0.1510417 0.3428583 1.0506000), wk = 0.0024631 k( 294) = ( 0.1562500 0.3302474 1.0642441), wk = 0.0024631 k( 295) = ( 0.1614583 0.3176364 1.0778883), wk = 0.0024631 k( 296) = ( 0.1666667 0.3050255 1.0915324), wk = 0.0024631 k( 297) = ( 0.1718750 0.2924145 1.1051766), wk = 0.0024631 k( 298) = ( 0.1770833 0.2798036 1.1188207), wk = 0.0024631 k( 299) = ( 0.1822917 0.2671926 1.1324649), wk = 0.0024631 k( 300) = ( 0.1875000 0.2545816 1.1461090), wk = 0.0024631 k( 301) = ( 0.1927083 0.2419707 1.1597532), wk = 0.0024631 k( 302) = ( 0.1979167 0.2293597 1.1733974), wk = 0.0024631 k( 303) = ( 0.2031250 0.2167488 1.1870415), wk = 0.0024631 k( 304) = ( 0.2083333 0.2041378 1.2006857), wk = 0.0024631 k( 305) = ( 0.2135417 0.1915269 1.2143298), wk = 0.0024631 k( 306) = ( 0.2187500 0.1789159 1.2279740), wk = 0.0024631 k( 307) = ( 0.2239583 0.1663050 1.2416181), wk = 0.0024631 k( 308) = ( 0.2291667 0.1536940 1.2552623), wk = 0.0024631 k( 309) = ( 0.2343750 0.1410830 1.2689064), wk = 0.0024631 k( 310) = ( 0.2395833 0.1284721 1.2825506), wk = 0.0024631 k( 311) = ( 0.2447917 0.1158611 1.2961948), wk = 0.0024631 k( 312) = ( 0.2500000 0.1032502 1.3098389), wk = 0.0024631 k( 313) = ( 0.2500000 0.1032502 1.3098389), wk = 0.0024631 k( 314) = ( 0.2666667 0.1101335 1.3023916), wk = 0.0024631 k( 315) = ( 0.2833333 0.1170168 1.2949443), wk = 0.0024631 k( 316) = ( 0.3000000 0.1239002 1.2874970), wk = 0.0024631 k( 317) = ( 0.3166667 0.1307835 1.2800498), wk = 0.0024631 k( 318) = ( 0.3333333 0.1376669 1.2726025), wk = 0.0024631 k( 319) = ( 0.3500000 0.1445502 1.2651552), wk = 0.0024631 k( 320) = ( 0.3666667 0.1514336 1.2577079), wk = 0.0024631 k( 321) = ( 0.3833333 0.1583169 1.2502606), wk = 0.0024631 k( 322) = ( 0.4000000 0.1652003 1.2428133), wk = 0.0024631 k( 323) = ( 0.4166667 0.1720836 1.2353661), wk = 0.0024631 k( 324) = ( 0.4333333 0.1789669 1.2279188), wk = 0.0024631 k( 325) = ( 0.4500000 0.1858503 1.2204715), wk = 0.0024631 k( 326) = ( 0.4666667 0.1927336 1.2130242), wk = 0.0024631 k( 327) = ( 0.4833333 0.1996170 1.2055769), wk = 0.0024631 k( 328) = ( 0.5000000 0.2065003 1.1981296), wk = 0.0024631 k( 329) = ( 0.5000000 0.2065003 1.1981296), wk = 0.0024631 k( 330) = ( 0.5000000 0.2065003 1.1788049), wk = 0.0024631 k( 331) = ( 0.5000000 0.2065003 1.1594803), wk = 0.0024631 k( 332) = ( 0.5000000 0.2065003 1.1401556), wk = 0.0024631 k( 333) = ( 0.5000000 0.2065003 1.1208309), wk = 0.0024631 k( 334) = ( 0.5000000 0.2065003 1.1015063), wk = 0.0024631 k( 335) = ( 0.5000000 0.2065003 1.0821816), wk = 0.0024631 k( 336) = ( 0.5000000 0.2065003 1.0628569), wk = 0.0024631 k( 337) = ( 0.5000000 0.2065003 1.0435322), wk = 0.0024631 k( 338) = ( 0.5000000 0.2065003 1.0242076), wk = 0.0024631 k( 339) = ( 0.5000000 0.2065003 1.0048829), wk = 0.0024631 k( 340) = ( 0.5000000 0.2065003 0.9855582), wk = 0.0024631 k( 341) = ( 0.5000000 0.2065003 0.9662336), wk = 0.0024631 k( 342) = ( 0.5000000 0.2065003 0.9469089), wk = 0.0024631 k( 343) = ( 0.5000000 0.2065003 0.9275842), wk = 0.0024631 k( 344) = ( 0.5000000 0.2065003 0.9082595), wk = 0.0024631 k( 345) = ( 0.5000000 0.2065003 0.8889349), wk = 0.0024631 k( 346) = ( 0.5000000 0.2065003 0.8696102), wk = 0.0024631 k( 347) = ( 0.5000000 0.2065003 0.8502855), wk = 0.0024631 k( 348) = ( 0.5000000 0.2065003 0.8309609), wk = 0.0024631 k( 349) = ( 0.5000000 0.2065003 0.8116362), wk = 0.0024631 k( 350) = ( 0.5000000 0.2065003 0.7923115), wk = 0.0024631 k( 351) = ( 0.5000000 0.2065003 0.7729868), wk = 0.0024631 k( 352) = ( 0.5000000 0.2065003 0.7536622), wk = 0.0024631 k( 353) = ( 0.5000000 0.2065003 0.7343375), wk = 0.0024631 k( 354) = ( 0.5000000 0.2065003 0.7150128), wk = 0.0024631 k( 355) = ( 0.5000000 0.2065003 0.6956882), wk = 0.0024631 k( 356) = ( 0.5000000 0.2065003 0.6763635), wk = 0.0024631 k( 357) = ( 0.5000000 0.2065003 0.6570388), wk = 0.0024631 k( 358) = ( 0.5000000 0.2065003 0.6377141), wk = 0.0024631 k( 359) = ( 0.5000000 0.2065003 0.6183895), wk = 0.0024631 k( 360) = ( 0.5000000 0.2065003 0.5990648), wk = 0.0024631 k( 361) = ( 0.5000000 0.2065003 0.5797401), wk = 0.0024631 k( 362) = ( 0.5000000 0.2065003 0.5604155), wk = 0.0024631 k( 363) = ( 0.5000000 0.2065003 0.5410908), wk = 0.0024631 k( 364) = ( 0.5000000 0.2065003 0.5217661), wk = 0.0024631 k( 365) = ( 0.5000000 0.2065003 0.5024414), wk = 0.0024631 k( 366) = ( 0.5000000 0.2065003 0.4831168), wk = 0.0024631 k( 367) = ( 0.5000000 0.2065003 0.4637921), wk = 0.0024631 k( 368) = ( 0.5000000 0.2065003 0.4444674), wk = 0.0024631 k( 369) = ( 0.5000000 0.2065003 0.4251428), wk = 0.0024631 k( 370) = ( 0.5000000 0.2065003 0.4058181), wk = 0.0024631 k( 371) = ( 0.5000000 0.2065003 0.3864934), wk = 0.0024631 k( 372) = ( 0.5000000 0.2065003 0.3671688), wk = 0.0024631 k( 373) = ( 0.5000000 0.2065003 0.3478441), wk = 0.0024631 k( 374) = ( 0.5000000 0.2065003 0.3285194), wk = 0.0024631 k( 375) = ( 0.5000000 0.2065003 0.3091947), wk = 0.0024631 k( 376) = ( 0.5000000 0.2065003 0.2898701), wk = 0.0024631 k( 377) = ( 0.5000000 0.2065003 0.2705454), wk = 0.0024631 k( 378) = ( 0.5000000 0.2065003 0.2512207), wk = 0.0024631 k( 379) = ( 0.5000000 0.2065003 0.2318961), wk = 0.0024631 k( 380) = ( 0.5000000 0.2065003 0.2125714), wk = 0.0024631 k( 381) = ( 0.5000000 0.2065003 0.1932467), wk = 0.0024631 k( 382) = ( 0.5000000 0.2065003 0.1739220), wk = 0.0024631 k( 383) = ( 0.5000000 0.2065003 0.1545974), wk = 0.0024631 k( 384) = ( 0.5000000 0.2065003 0.1352727), wk = 0.0024631 k( 385) = ( 0.5000000 0.2065003 0.1159480), wk = 0.0024631 k( 386) = ( 0.5000000 0.2065003 0.0966234), wk = 0.0024631 k( 387) = ( 0.5000000 0.2065003 0.0772987), wk = 0.0024631 k( 388) = ( 0.5000000 0.2065003 0.0579740), wk = 0.0024631 k( 389) = ( 0.5000000 0.2065003 0.0386493), wk = 0.0024631 k( 390) = ( 0.5000000 0.2065003 0.0193247), wk = 0.0024631 k( 391) = ( 0.5000000 0.2065003 0.0000000), wk = 0.0024631 k( 392) = ( 0.0000000 0.0000000 1.3098389), wk = 0.0024631 k( 393) = ( 0.0178571 0.0073750 1.3098389), wk = 0.0024631 k( 394) = ( 0.0357143 0.0147500 1.3098389), wk = 0.0024631 k( 395) = ( 0.0535714 0.0221250 1.3098389), wk = 0.0024631 k( 396) = ( 0.0714286 0.0295000 1.3098389), wk = 0.0024631 k( 397) = ( 0.0892857 0.0368751 1.3098389), wk = 0.0024631 k( 398) = ( 0.1071429 0.0442501 1.3098389), wk = 0.0024631 k( 399) = ( 0.1250000 0.0516251 1.3098389), wk = 0.0024631 k( 400) = ( 0.1428571 0.0590001 1.3098389), wk = 0.0024631 k( 401) = ( 0.1607143 0.0663751 1.3098389), wk = 0.0024631 k( 402) = ( 0.1785714 0.0737501 1.3098389), wk = 0.0024631 k( 403) = ( 0.1964286 0.0811251 1.3098389), wk = 0.0024631 k( 404) = ( 0.2142857 0.0885001 1.3098389), wk = 0.0024631 k( 405) = ( 0.2321429 0.0958752 1.3098389), wk = 0.0024631 k( 406) = ( 0.2500000 0.1032502 1.3098389), wk = 0.0024631 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 2) = ( 0.0000000 0.0000000 0.0074627), wk = 0.0024631 k( 3) = ( 0.0000000 0.0000000 0.0149254), wk = 0.0024631 k( 4) = ( 0.0000000 0.0000000 0.0223881), wk = 0.0024631 k( 5) = ( 0.0000000 0.0000000 0.0298508), wk = 0.0024631 k( 6) = ( 0.0000000 0.0000000 0.0373134), wk = 0.0024631 k( 7) = ( 0.0000000 0.0000000 0.0447761), wk = 0.0024631 k( 8) = ( 0.0000000 0.0000000 0.0522388), wk = 0.0024631 k( 9) = ( 0.0000000 0.0000000 0.0597015), wk = 0.0024631 k( 10) = ( 0.0000000 0.0000000 0.0671642), wk = 0.0024631 k( 11) = ( 0.0000000 0.0000000 0.0746269), wk = 0.0024631 k( 12) = ( 0.0000000 0.0000000 0.0820896), wk = 0.0024631 k( 13) = ( 0.0000000 0.0000000 0.0895522), wk = 0.0024631 k( 14) = ( 0.0000000 0.0000000 0.0970149), wk = 0.0024631 k( 15) = ( 0.0000000 0.0000000 0.1044776), wk = 0.0024631 k( 16) = ( 0.0000000 0.0000000 0.1119403), wk = 0.0024631 k( 17) = ( 0.0000000 0.0000000 0.1194030), wk = 0.0024631 k( 18) = ( 0.0000000 0.0000000 0.1268657), wk = 0.0024631 k( 19) = ( 0.0000000 0.0000000 0.1343284), wk = 0.0024631 k( 20) = ( 0.0000000 0.0000000 0.1417910), wk = 0.0024631 k( 21) = ( 0.0000000 0.0000000 0.1492537), wk = 0.0024631 k( 22) = ( 0.0000000 0.0000000 0.1567164), wk = 0.0024631 k( 23) = ( 0.0000000 0.0000000 0.1641791), wk = 0.0024631 k( 24) = ( 0.0000000 0.0000000 0.1716418), wk = 0.0024631 k( 25) = ( 0.0000000 0.0000000 0.1791045), wk = 0.0024631 k( 26) = ( 0.0000000 0.0000000 0.1865672), wk = 0.0024631 k( 27) = ( 0.0000000 0.0000000 0.1940299), wk = 0.0024631 k( 28) = ( 0.0000000 0.0000000 0.2014925), wk = 0.0024631 k( 29) = ( 0.0000000 0.0000000 0.2089552), wk = 0.0024631 k( 30) = ( 0.0000000 0.0000000 0.2164179), wk = 0.0024631 k( 31) = ( 0.0000000 0.0000000 0.2238806), wk = 0.0024631 k( 32) = ( 0.0000000 0.0000000 0.2313433), wk = 0.0024631 k( 33) = ( 0.0000000 0.0000000 0.2388060), wk = 0.0024631 k( 34) = ( 0.0000000 0.0000000 0.2462687), wk = 0.0024631 k( 35) = ( 0.0000000 0.0000000 0.2537313), wk = 0.0024631 k( 36) = ( 0.0000000 0.0000000 0.2611940), wk = 0.0024631 k( 37) = ( 0.0000000 0.0000000 0.2686567), wk = 0.0024631 k( 38) = ( 0.0000000 0.0000000 0.2761194), wk = 0.0024631 k( 39) = ( 0.0000000 0.0000000 0.2835821), wk = 0.0024631 k( 40) = ( 0.0000000 0.0000000 0.2910448), wk = 0.0024631 k( 41) = ( 0.0000000 0.0000000 0.2985075), wk = 0.0024631 k( 42) = ( 0.0000000 0.0000000 0.3059702), wk = 0.0024631 k( 43) = ( 0.0000000 0.0000000 0.3134328), wk = 0.0024631 k( 44) = ( 0.0000000 0.0000000 0.3208955), wk = 0.0024631 k( 45) = ( 0.0000000 0.0000000 0.3283582), wk = 0.0024631 k( 46) = ( 0.0000000 0.0000000 0.3358209), wk = 0.0024631 k( 47) = ( 0.0000000 0.0000000 0.3432836), wk = 0.0024631 k( 48) = ( 0.0000000 0.0000000 0.3507463), wk = 0.0024631 k( 49) = ( 0.0000000 0.0000000 0.3582090), wk = 0.0024631 k( 50) = ( 0.0000000 0.0000000 0.3656716), wk = 0.0024631 k( 51) = ( 0.0000000 0.0000000 0.3731343), wk = 0.0024631 k( 52) = ( 0.0000000 0.0000000 0.3805970), wk = 0.0024631 k( 53) = ( 0.0000000 0.0000000 0.3880597), wk = 0.0024631 k( 54) = ( 0.0000000 0.0000000 0.3955224), wk = 0.0024631 k( 55) = ( 0.0000000 0.0000000 0.4029851), wk = 0.0024631 k( 56) = ( 0.0000000 0.0000000 0.4104478), wk = 0.0024631 k( 57) = ( 0.0000000 0.0000000 0.4179105), wk = 0.0024631 k( 58) = ( 0.0000000 0.0000000 0.4253731), wk = 0.0024631 k( 59) = ( 0.0000000 0.0000000 0.4328358), wk = 0.0024631 k( 60) = ( 0.0000000 0.0000000 0.4402985), wk = 0.0024631 k( 61) = ( 0.0000000 0.0000000 0.4477612), wk = 0.0024631 k( 62) = ( 0.0000000 0.0000000 0.4552239), wk = 0.0024631 k( 63) = ( 0.0000000 0.0000000 0.4626866), wk = 0.0024631 k( 64) = ( 0.0000000 0.0000000 0.4701493), wk = 0.0024631 k( 65) = ( 0.0000000 0.0000000 0.4776119), wk = 0.0024631 k( 66) = ( 0.0000000 0.0000000 0.4850746), wk = 0.0024631 k( 67) = ( 0.0000000 0.0000000 0.4925373), wk = 0.0024631 k( 68) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 69) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 70) = ( -0.0071071 0.0071071 0.5000000), wk = 0.0024631 k( 71) = ( -0.0142141 0.0142141 0.5000000), wk = 0.0024631 k( 72) = ( -0.0213212 0.0213212 0.5000000), wk = 0.0024631 k( 73) = ( -0.0284282 0.0284283 0.5000000), wk = 0.0024631 k( 74) = ( -0.0355353 0.0355353 0.5000000), wk = 0.0024631 k( 75) = ( -0.0426424 0.0426424 0.5000000), wk = 0.0024631 k( 76) = ( -0.0426424 0.0426424 0.5000000), wk = 0.0024631 k( 77) = ( -0.0478396 0.0478396 0.4948028), wk = 0.0024631 k( 78) = ( -0.0530369 0.0530369 0.4896055), wk = 0.0024631 k( 79) = ( -0.0582341 0.0582341 0.4844083), wk = 0.0024631 k( 80) = ( -0.0634314 0.0634314 0.4792110), wk = 0.0024631 k( 81) = ( -0.0686286 0.0686286 0.4740138), wk = 0.0024631 k( 82) = ( -0.0738259 0.0738259 0.4688165), wk = 0.0024631 k( 83) = ( -0.0790231 0.0790231 0.4636193), wk = 0.0024631 k( 84) = ( -0.0842203 0.0842204 0.4584220), wk = 0.0024631 k( 85) = ( -0.0894176 0.0894176 0.4532248), wk = 0.0024631 k( 86) = ( -0.0946148 0.0946148 0.4480275), wk = 0.0024631 k( 87) = ( -0.0998121 0.0998121 0.4428303), wk = 0.0024631 k( 88) = ( -0.1050093 0.1050093 0.4376331), wk = 0.0024631 k( 89) = ( -0.1102066 0.1102066 0.4324358), wk = 0.0024631 k( 90) = ( -0.1154038 0.1154038 0.4272386), wk = 0.0024631 k( 91) = ( -0.1206011 0.1206011 0.4220413), wk = 0.0024631 k( 92) = ( -0.1257983 0.1257983 0.4168441), wk = 0.0024631 k( 93) = ( -0.1309956 0.1309956 0.4116468), wk = 0.0024631 k( 94) = ( -0.1361928 0.1361928 0.4064496), wk = 0.0024631 k( 95) = ( -0.1413900 0.1413901 0.4012523), wk = 0.0024631 k( 96) = ( -0.1465873 0.1465873 0.3960551), wk = 0.0024631 k( 97) = ( -0.1517845 0.1517845 0.3908578), wk = 0.0024631 k( 98) = ( -0.1569818 0.1569818 0.3856606), wk = 0.0024631 k( 99) = ( -0.1621790 0.1621790 0.3804634), wk = 0.0024631 k( 100) = ( -0.1673763 0.1673763 0.3752661), wk = 0.0024631 k( 101) = ( -0.1725735 0.1725735 0.3700689), wk = 0.0024631 k( 102) = ( -0.1777708 0.1777708 0.3648716), wk = 0.0024631 k( 103) = ( -0.1829680 0.1829680 0.3596744), wk = 0.0024631 k( 104) = ( -0.1881653 0.1881653 0.3544771), wk = 0.0024631 k( 105) = ( -0.1933625 0.1933625 0.3492799), wk = 0.0024631 k( 106) = ( -0.1985598 0.1985598 0.3440826), wk = 0.0024631 k( 107) = ( -0.2037570 0.2037570 0.3388854), wk = 0.0024631 k( 108) = ( -0.2089542 0.2089542 0.3336881), wk = 0.0024631 k( 109) = ( -0.2141515 0.2141515 0.3284909), wk = 0.0024631 k( 110) = ( -0.2193487 0.2193487 0.3232937), wk = 0.0024631 k( 111) = ( -0.2245460 0.2245460 0.3180964), wk = 0.0024631 k( 112) = ( -0.2297432 0.2297432 0.3128992), wk = 0.0024631 k( 113) = ( -0.2349405 0.2349405 0.3077019), wk = 0.0024631 k( 114) = ( -0.2401377 0.2401377 0.3025047), wk = 0.0024631 k( 115) = ( -0.2453350 0.2453350 0.2973074), wk = 0.0024631 k( 116) = ( -0.2505322 0.2505322 0.2921102), wk = 0.0024631 k( 117) = ( -0.2557295 0.2557295 0.2869129), wk = 0.0024631 k( 118) = ( -0.2609267 0.2609267 0.2817157), wk = 0.0024631 k( 119) = ( -0.2661239 0.2661239 0.2765184), wk = 0.0024631 k( 120) = ( -0.2713212 0.2713212 0.2713212), wk = 0.0024631 k( 121) = ( -0.2713212 0.2713212 0.2713212), wk = 0.0024631 k( 122) = ( -0.2661035 0.2661035 0.2661035), wk = 0.0024631 k( 123) = ( -0.2608858 0.2608858 0.2608858), wk = 0.0024631 k( 124) = ( -0.2556680 0.2556681 0.2556680), wk = 0.0024631 k( 125) = ( -0.2504503 0.2504503 0.2504503), wk = 0.0024631 k( 126) = ( -0.2452326 0.2452326 0.2452326), wk = 0.0024631 k( 127) = ( -0.2400149 0.2400149 0.2400149), wk = 0.0024631 k( 128) = ( -0.2347972 0.2347972 0.2347972), wk = 0.0024631 k( 129) = ( -0.2295795 0.2295795 0.2295795), wk = 0.0024631 k( 130) = ( -0.2243617 0.2243618 0.2243617), wk = 0.0024631 k( 131) = ( -0.2191440 0.2191440 0.2191440), wk = 0.0024631 k( 132) = ( -0.2139263 0.2139263 0.2139263), wk = 0.0024631 k( 133) = ( -0.2087086 0.2087086 0.2087086), wk = 0.0024631 k( 134) = ( -0.2034909 0.2034909 0.2034909), wk = 0.0024631 k( 135) = ( -0.1982732 0.1982732 0.1982732), wk = 0.0024631 k( 136) = ( -0.1930555 0.1930555 0.1930555), wk = 0.0024631 k( 137) = ( -0.1878377 0.1878377 0.1878378), wk = 0.0024631 k( 138) = ( -0.1826200 0.1826200 0.1826200), wk = 0.0024631 k( 139) = ( -0.1774023 0.1774023 0.1774023), wk = 0.0024631 k( 140) = ( -0.1721846 0.1721846 0.1721846), wk = 0.0024631 k( 141) = ( -0.1669669 0.1669669 0.1669669), wk = 0.0024631 k( 142) = ( -0.1617492 0.1617492 0.1617492), wk = 0.0024631 k( 143) = ( -0.1565315 0.1565315 0.1565315), wk = 0.0024631 k( 144) = ( -0.1513137 0.1513137 0.1513137), wk = 0.0024631 k( 145) = ( -0.1460960 0.1460960 0.1460960), wk = 0.0024631 k( 146) = ( -0.1408783 0.1408783 0.1408783), wk = 0.0024631 k( 147) = ( -0.1356606 0.1356606 0.1356606), wk = 0.0024631 k( 148) = ( -0.1304429 0.1304429 0.1304429), wk = 0.0024631 k( 149) = ( -0.1252252 0.1252252 0.1252252), wk = 0.0024631 k( 150) = ( -0.1200075 0.1200075 0.1200074), wk = 0.0024631 k( 151) = ( -0.1147897 0.1147897 0.1147897), wk = 0.0024631 k( 152) = ( -0.1095720 0.1095720 0.1095720), wk = 0.0024631 k( 153) = ( -0.1043543 0.1043543 0.1043543), wk = 0.0024631 k( 154) = ( -0.0991366 0.0991366 0.0991366), wk = 0.0024631 k( 155) = ( -0.0939189 0.0939189 0.0939189), wk = 0.0024631 k( 156) = ( -0.0887012 0.0887012 0.0887012), wk = 0.0024631 k( 157) = ( -0.0834834 0.0834834 0.0834834), wk = 0.0024631 k( 158) = ( -0.0782657 0.0782657 0.0782657), wk = 0.0024631 k( 159) = ( -0.0730480 0.0730480 0.0730480), wk = 0.0024631 k( 160) = ( -0.0678303 0.0678303 0.0678303), wk = 0.0024631 k( 161) = ( -0.0626126 0.0626126 0.0626126), wk = 0.0024631 k( 162) = ( -0.0573949 0.0573949 0.0573949), wk = 0.0024631 k( 163) = ( -0.0521771 0.0521771 0.0521771), wk = 0.0024631 k( 164) = ( -0.0469594 0.0469594 0.0469594), wk = 0.0024631 k( 165) = ( -0.0417417 0.0417417 0.0417417), wk = 0.0024631 k( 166) = ( -0.0365240 0.0365240 0.0365240), wk = 0.0024631 k( 167) = ( -0.0313063 0.0313063 0.0313063), wk = 0.0024631 k( 168) = ( -0.0260886 0.0260886 0.0260886), wk = 0.0024631 k( 169) = ( -0.0208709 0.0208709 0.0208709), wk = 0.0024631 k( 170) = ( -0.0156532 0.0156532 0.0156532), wk = 0.0024631 k( 171) = ( -0.0104354 0.0104354 0.0104354), wk = 0.0024631 k( 172) = ( -0.0052177 0.0052177 0.0052177), wk = 0.0024631 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 174) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024631 k( 175) = ( 0.0178571 0.0178571 -0.0178571), wk = 0.0024631 k( 176) = ( 0.0357143 0.0357143 -0.0357143), wk = 0.0024631 k( 177) = ( 0.0535714 0.0535714 -0.0535714), wk = 0.0024631 k( 178) = ( 0.0714286 0.0714286 -0.0714286), wk = 0.0024631 k( 179) = ( 0.0892857 0.0892857 -0.0892857), wk = 0.0024631 k( 180) = ( 0.1071429 0.1071429 -0.1071429), wk = 0.0024631 k( 181) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0024631 k( 182) = ( 0.1428571 0.1428571 -0.1428571), wk = 0.0024631 k( 183) = ( 0.1607143 0.1607143 -0.1607143), wk = 0.0024631 k( 184) = ( 0.1785714 0.1785714 -0.1785714), wk = 0.0024631 k( 185) = ( 0.1964286 0.1964286 -0.1964286), wk = 0.0024631 k( 186) = ( 0.2142857 0.2142857 -0.2142857), wk = 0.0024631 k( 187) = ( 0.2321429 0.2321429 -0.2321429), wk = 0.0024631 k( 188) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0024631 k( 189) = ( 0.2678571 0.2678571 -0.2678571), wk = 0.0024631 k( 190) = ( 0.2857143 0.2857143 -0.2857143), wk = 0.0024631 k( 191) = ( 0.3035714 0.3035714 -0.3035714), wk = 0.0024631 k( 192) = ( 0.3214286 0.3214286 -0.3214286), wk = 0.0024631 k( 193) = ( 0.3392857 0.3392857 -0.3392857), wk = 0.0024631 k( 194) = ( 0.3571429 0.3571429 -0.3571429), wk = 0.0024631 k( 195) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0024631 k( 196) = ( 0.3928571 0.3928571 -0.3928571), wk = 0.0024631 k( 197) = ( 0.4107143 0.4107143 -0.4107143), wk = 0.0024631 k( 198) = ( 0.4285714 0.4285714 -0.4285714), wk = 0.0024631 k( 199) = ( 0.4464286 0.4464286 -0.4464286), wk = 0.0024631 k( 200) = ( 0.4642857 0.4642857 -0.4642857), wk = 0.0024631 k( 201) = ( 0.4821429 0.4821429 -0.4821429), wk = 0.0024631 k( 202) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 203) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 204) = ( 0.4948028 0.5051973 -0.4948028), wk = 0.0024631 k( 205) = ( 0.4896055 0.5103945 -0.4896055), wk = 0.0024631 k( 206) = ( 0.4844083 0.5155917 -0.4844083), wk = 0.0024631 k( 207) = ( 0.4792110 0.5207890 -0.4792110), wk = 0.0024631 k( 208) = ( 0.4740138 0.5259862 -0.4740138), wk = 0.0024631 k( 209) = ( 0.4688165 0.5311835 -0.4688165), wk = 0.0024631 k( 210) = ( 0.4636193 0.5363807 -0.4636193), wk = 0.0024631 k( 211) = ( 0.4584220 0.5415780 -0.4584220), wk = 0.0024631 k( 212) = ( 0.4532248 0.5467752 -0.4532248), wk = 0.0024631 k( 213) = ( 0.4480275 0.5519725 -0.4480275), wk = 0.0024631 k( 214) = ( 0.4428303 0.5571697 -0.4428303), wk = 0.0024631 k( 215) = ( 0.4376331 0.5623670 -0.4376331), wk = 0.0024631 k( 216) = ( 0.4324358 0.5675642 -0.4324358), wk = 0.0024631 k( 217) = ( 0.4272386 0.5727614 -0.4272386), wk = 0.0024631 k( 218) = ( 0.4220413 0.5779587 -0.4220413), wk = 0.0024631 k( 219) = ( 0.4168441 0.5831559 -0.4168441), wk = 0.0024631 k( 220) = ( 0.4116468 0.5883532 -0.4116468), wk = 0.0024631 k( 221) = ( 0.4064496 0.5935504 -0.4064496), wk = 0.0024631 k( 222) = ( 0.4012523 0.5987477 -0.4012523), wk = 0.0024631 k( 223) = ( 0.3960551 0.6039449 -0.3960551), wk = 0.0024631 k( 224) = ( 0.3908578 0.6091422 -0.3908578), wk = 0.0024631 k( 225) = ( 0.3856606 0.6143394 -0.3856606), wk = 0.0024631 k( 226) = ( 0.3804633 0.6195367 -0.3804633), wk = 0.0024631 k( 227) = ( 0.3752661 0.6247339 -0.3752661), wk = 0.0024631 k( 228) = ( 0.3700689 0.6299311 -0.3700689), wk = 0.0024631 k( 229) = ( 0.3648716 0.6351284 -0.3648716), wk = 0.0024631 k( 230) = ( 0.3596744 0.6403256 -0.3596744), wk = 0.0024631 k( 231) = ( 0.3544771 0.6455229 -0.3544771), wk = 0.0024631 k( 232) = ( 0.3492799 0.6507201 -0.3492799), wk = 0.0024631 k( 233) = ( 0.3440826 0.6559174 -0.3440826), wk = 0.0024631 k( 234) = ( 0.3388854 0.6611146 -0.3388854), wk = 0.0024631 k( 235) = ( 0.3336881 0.6663119 -0.3336881), wk = 0.0024631 k( 236) = ( 0.3284909 0.6715091 -0.3284909), wk = 0.0024631 k( 237) = ( 0.3232936 0.6767064 -0.3232936), wk = 0.0024631 k( 238) = ( 0.3180964 0.6819036 -0.3180964), wk = 0.0024631 k( 239) = ( 0.3128992 0.6871008 -0.3128992), wk = 0.0024631 k( 240) = ( 0.3077019 0.6922981 -0.3077019), wk = 0.0024631 k( 241) = ( 0.3025047 0.6974953 -0.3025047), wk = 0.0024631 k( 242) = ( 0.2973074 0.7026926 -0.2973074), wk = 0.0024631 k( 243) = ( 0.2921102 0.7078898 -0.2921102), wk = 0.0024631 k( 244) = ( 0.2869129 0.7130871 -0.2869129), wk = 0.0024631 k( 245) = ( 0.2817157 0.7182843 -0.2817157), wk = 0.0024631 k( 246) = ( 0.2765184 0.7234816 -0.2765184), wk = 0.0024631 k( 247) = ( 0.2713212 0.7286788 -0.2713212), wk = 0.0024631 k( 248) = ( 0.2713212 0.7286788 -0.2713212), wk = 0.0024631 k( 249) = ( 0.2532331 0.7134335 -0.2532331), wk = 0.0024631 k( 250) = ( 0.2351450 0.6981883 -0.2351450), wk = 0.0024631 k( 251) = ( 0.2170569 0.6829431 -0.2170569), wk = 0.0024631 k( 252) = ( 0.1989689 0.6676978 -0.1989689), wk = 0.0024631 k( 253) = ( 0.1808808 0.6524525 -0.1808808), wk = 0.0024631 k( 254) = ( 0.1627927 0.6372073 -0.1627927), wk = 0.0024631 k( 255) = ( 0.1447046 0.6219620 -0.1447046), wk = 0.0024631 k( 256) = ( 0.1266166 0.6067168 -0.1266166), wk = 0.0024631 k( 257) = ( 0.1085285 0.5914715 -0.1085285), wk = 0.0024631 k( 258) = ( 0.0904404 0.5762263 -0.0904404), wk = 0.0024631 k( 259) = ( 0.0723523 0.5609810 -0.0723523), wk = 0.0024631 k( 260) = ( 0.0542642 0.5457358 -0.0542642), wk = 0.0024631 k( 261) = ( 0.0361762 0.5304905 -0.0361762), wk = 0.0024631 k( 262) = ( 0.0180881 0.5152452 -0.0180881), wk = 0.0024631 k( 263) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 264) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024631 k( 265) = ( 0.0052083 0.4947917 0.0052083), wk = 0.0024631 k( 266) = ( 0.0104167 0.4895833 0.0104167), wk = 0.0024631 k( 267) = ( 0.0156250 0.4843750 0.0156250), wk = 0.0024631 k( 268) = ( 0.0208333 0.4791667 0.0208333), wk = 0.0024631 k( 269) = ( 0.0260417 0.4739583 0.0260417), wk = 0.0024631 k( 270) = ( 0.0312500 0.4687500 0.0312500), wk = 0.0024631 k( 271) = ( 0.0364583 0.4635417 0.0364583), wk = 0.0024631 k( 272) = ( 0.0416667 0.4583333 0.0416667), wk = 0.0024631 k( 273) = ( 0.0468750 0.4531250 0.0468750), wk = 0.0024631 k( 274) = ( 0.0520833 0.4479167 0.0520833), wk = 0.0024631 k( 275) = ( 0.0572917 0.4427083 0.0572917), wk = 0.0024631 k( 276) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0024631 k( 277) = ( 0.0677083 0.4322917 0.0677083), wk = 0.0024631 k( 278) = ( 0.0729167 0.4270833 0.0729167), wk = 0.0024631 k( 279) = ( 0.0781250 0.4218750 0.0781250), wk = 0.0024631 k( 280) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0024631 k( 281) = ( 0.0885417 0.4114583 0.0885417), wk = 0.0024631 k( 282) = ( 0.0937500 0.4062500 0.0937500), wk = 0.0024631 k( 283) = ( 0.0989583 0.4010417 0.0989583), wk = 0.0024631 k( 284) = ( 0.1041667 0.3958333 0.1041667), wk = 0.0024631 k( 285) = ( 0.1093750 0.3906250 0.1093750), wk = 0.0024631 k( 286) = ( 0.1145833 0.3854167 0.1145833), wk = 0.0024631 k( 287) = ( 0.1197917 0.3802083 0.1197917), wk = 0.0024631 k( 288) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0024631 k( 289) = ( 0.1302083 0.3697917 0.1302083), wk = 0.0024631 k( 290) = ( 0.1354167 0.3645833 0.1354167), wk = 0.0024631 k( 291) = ( 0.1406250 0.3593750 0.1406250), wk = 0.0024631 k( 292) = ( 0.1458333 0.3541667 0.1458333), wk = 0.0024631 k( 293) = ( 0.1510417 0.3489583 0.1510417), wk = 0.0024631 k( 294) = ( 0.1562500 0.3437500 0.1562500), wk = 0.0024631 k( 295) = ( 0.1614583 0.3385417 0.1614583), wk = 0.0024631 k( 296) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0024631 k( 297) = ( 0.1718750 0.3281250 0.1718750), wk = 0.0024631 k( 298) = ( 0.1770833 0.3229167 0.1770833), wk = 0.0024631 k( 299) = ( 0.1822917 0.3177083 0.1822917), wk = 0.0024631 k( 300) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0024631 k( 301) = ( 0.1927083 0.3072917 0.1927083), wk = 0.0024631 k( 302) = ( 0.1979167 0.3020833 0.1979167), wk = 0.0024631 k( 303) = ( 0.2031250 0.2968750 0.2031250), wk = 0.0024631 k( 304) = ( 0.2083333 0.2916667 0.2083333), wk = 0.0024631 k( 305) = ( 0.2135417 0.2864583 0.2135417), wk = 0.0024631 k( 306) = ( 0.2187500 0.2812500 0.2187500), wk = 0.0024631 k( 307) = ( 0.2239583 0.2760417 0.2239583), wk = 0.0024631 k( 308) = ( 0.2291667 0.2708333 0.2291667), wk = 0.0024631 k( 309) = ( 0.2343750 0.2656250 0.2343750), wk = 0.0024631 k( 310) = ( 0.2395833 0.2604167 0.2395833), wk = 0.0024631 k( 311) = ( 0.2447917 0.2552083 0.2447917), wk = 0.0024631 k( 312) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 k( 313) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 k( 314) = ( 0.2666667 0.2666667 0.2304905), wk = 0.0024631 k( 315) = ( 0.2833333 0.2833333 0.2109810), wk = 0.0024631 k( 316) = ( 0.3000000 0.3000000 0.1914715), wk = 0.0024631 k( 317) = ( 0.3166667 0.3166667 0.1719620), wk = 0.0024631 k( 318) = ( 0.3333333 0.3333333 0.1524525), wk = 0.0024631 k( 319) = ( 0.3500000 0.3500000 0.1329431), wk = 0.0024631 k( 320) = ( 0.3666667 0.3666667 0.1134336), wk = 0.0024631 k( 321) = ( 0.3833333 0.3833333 0.0939241), wk = 0.0024631 k( 322) = ( 0.4000000 0.4000000 0.0744146), wk = 0.0024631 k( 323) = ( 0.4166667 0.4166667 0.0549051), wk = 0.0024631 k( 324) = ( 0.4333333 0.4333333 0.0353956), wk = 0.0024631 k( 325) = ( 0.4500000 0.4500000 0.0158861), wk = 0.0024631 k( 326) = ( 0.4666667 0.4666667 -0.0036234), wk = 0.0024631 k( 327) = ( 0.4833333 0.4833333 -0.0231329), wk = 0.0024631 k( 328) = ( 0.5000000 0.5000000 -0.0426424), wk = 0.0024631 k( 329) = ( 0.5000000 0.5000000 -0.0426424), wk = 0.0024631 k( 330) = ( 0.5000000 0.5000000 -0.0500191), wk = 0.0024631 k( 331) = ( 0.5000000 0.5000000 -0.0573958), wk = 0.0024631 k( 332) = ( 0.5000000 0.5000000 -0.0647726), wk = 0.0024631 k( 333) = ( 0.5000000 0.5000000 -0.0721493), wk = 0.0024631 k( 334) = ( 0.5000000 0.5000000 -0.0795261), wk = 0.0024631 k( 335) = ( 0.5000000 0.5000000 -0.0869028), wk = 0.0024631 k( 336) = ( 0.5000000 0.5000000 -0.0942795), wk = 0.0024631 k( 337) = ( 0.5000000 0.5000000 -0.1016563), wk = 0.0024631 k( 338) = ( 0.5000000 0.5000000 -0.1090330), wk = 0.0024631 k( 339) = ( 0.5000000 0.5000000 -0.1164097), wk = 0.0024631 k( 340) = ( 0.5000000 0.5000000 -0.1237865), wk = 0.0024631 k( 341) = ( 0.5000000 0.5000000 -0.1311632), wk = 0.0024631 k( 342) = ( 0.5000000 0.5000000 -0.1385399), wk = 0.0024631 k( 343) = ( 0.5000000 0.5000000 -0.1459167), wk = 0.0024631 k( 344) = ( 0.5000000 0.5000000 -0.1532934), wk = 0.0024631 k( 345) = ( 0.5000000 0.5000000 -0.1606702), wk = 0.0024631 k( 346) = ( 0.5000000 0.5000000 -0.1680469), wk = 0.0024631 k( 347) = ( 0.5000000 0.5000000 -0.1754236), wk = 0.0024631 k( 348) = ( 0.5000000 0.5000000 -0.1828004), wk = 0.0024631 k( 349) = ( 0.5000000 0.5000000 -0.1901771), wk = 0.0024631 k( 350) = ( 0.5000000 0.5000000 -0.1975538), wk = 0.0024631 k( 351) = ( 0.5000000 0.5000000 -0.2049306), wk = 0.0024631 k( 352) = ( 0.5000000 0.5000000 -0.2123073), wk = 0.0024631 k( 353) = ( 0.5000000 0.5000000 -0.2196840), wk = 0.0024631 k( 354) = ( 0.5000000 0.5000000 -0.2270608), wk = 0.0024631 k( 355) = ( 0.5000000 0.5000000 -0.2344375), wk = 0.0024631 k( 356) = ( 0.5000000 0.5000000 -0.2418143), wk = 0.0024631 k( 357) = ( 0.5000000 0.5000000 -0.2491910), wk = 0.0024631 k( 358) = ( 0.5000000 0.5000000 -0.2565677), wk = 0.0024631 k( 359) = ( 0.5000000 0.5000000 -0.2639445), wk = 0.0024631 k( 360) = ( 0.5000000 0.5000000 -0.2713212), wk = 0.0024631 k( 361) = ( 0.5000000 0.5000000 -0.2786979), wk = 0.0024631 k( 362) = ( 0.5000000 0.5000000 -0.2860747), wk = 0.0024631 k( 363) = ( 0.5000000 0.5000000 -0.2934514), wk = 0.0024631 k( 364) = ( 0.5000000 0.5000000 -0.3008281), wk = 0.0024631 k( 365) = ( 0.5000000 0.5000000 -0.3082049), wk = 0.0024631 k( 366) = ( 0.5000000 0.5000000 -0.3155816), wk = 0.0024631 k( 367) = ( 0.5000000 0.5000000 -0.3229583), wk = 0.0024631 k( 368) = ( 0.5000000 0.5000000 -0.3303351), wk = 0.0024631 k( 369) = ( 0.5000000 0.5000000 -0.3377118), wk = 0.0024631 k( 370) = ( 0.5000000 0.5000000 -0.3450885), wk = 0.0024631 k( 371) = ( 0.5000000 0.5000000 -0.3524653), wk = 0.0024631 k( 372) = ( 0.5000000 0.5000000 -0.3598420), wk = 0.0024631 k( 373) = ( 0.5000000 0.5000000 -0.3672188), wk = 0.0024631 k( 374) = ( 0.5000000 0.5000000 -0.3745955), wk = 0.0024631 k( 375) = ( 0.5000000 0.5000000 -0.3819722), wk = 0.0024631 k( 376) = ( 0.5000000 0.5000000 -0.3893490), wk = 0.0024631 k( 377) = ( 0.5000000 0.5000000 -0.3967257), wk = 0.0024631 k( 378) = ( 0.5000000 0.5000000 -0.4041024), wk = 0.0024631 k( 379) = ( 0.5000000 0.5000000 -0.4114792), wk = 0.0024631 k( 380) = ( 0.5000000 0.5000000 -0.4188559), wk = 0.0024631 k( 381) = ( 0.5000000 0.5000000 -0.4262326), wk = 0.0024631 k( 382) = ( 0.5000000 0.5000000 -0.4336094), wk = 0.0024631 k( 383) = ( 0.5000000 0.5000000 -0.4409861), wk = 0.0024631 k( 384) = ( 0.5000000 0.5000000 -0.4483628), wk = 0.0024631 k( 385) = ( 0.5000000 0.5000000 -0.4557396), wk = 0.0024631 k( 386) = ( 0.5000000 0.5000000 -0.4631163), wk = 0.0024631 k( 387) = ( 0.5000000 0.5000000 -0.4704931), wk = 0.0024631 k( 388) = ( 0.5000000 0.5000000 -0.4778698), wk = 0.0024631 k( 389) = ( 0.5000000 0.5000000 -0.4852465), wk = 0.0024631 k( 390) = ( 0.5000000 0.5000000 -0.4926233), wk = 0.0024631 k( 391) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0024631 k( 392) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024631 k( 393) = ( 0.0178571 0.0178571 0.4821429), wk = 0.0024631 k( 394) = ( 0.0357143 0.0357143 0.4642857), wk = 0.0024631 k( 395) = ( 0.0535714 0.0535714 0.4464286), wk = 0.0024631 k( 396) = ( 0.0714286 0.0714286 0.4285714), wk = 0.0024631 k( 397) = ( 0.0892857 0.0892857 0.4107143), wk = 0.0024631 k( 398) = ( 0.1071429 0.1071429 0.3928571), wk = 0.0024631 k( 399) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0024631 k( 400) = ( 0.1428571 0.1428571 0.3571429), wk = 0.0024631 k( 401) = ( 0.1607143 0.1607143 0.3392857), wk = 0.0024631 k( 402) = ( 0.1785714 0.1785714 0.3214286), wk = 0.0024631 k( 403) = ( 0.1964286 0.1964286 0.3035714), wk = 0.0024631 k( 404) = ( 0.2142857 0.2142857 0.2857143), wk = 0.0024631 k( 405) = ( 0.2321429 0.2321429 0.2678571), wk = 0.0024631 k( 406) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0024631 Dense grid: 30691 G-vectors FFT dimensions: ( 64, 64, 64) Smooth grid: 16657 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 98, 44) NL pseudopotentials 0.07 Mb ( 49, 96) Each V/rho on FFT grid 0.12 Mb ( 8192) Each G-vector array 0.00 Mb ( 640) G-vector shells 0.00 Mb ( 318) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.26 Mb ( 98, 176) Each subspace H/S matrix 0.47 Mb ( 176, 176) Each matrix 0.13 Mb ( 96, 2, 44) The potential is recalculated from file : ./TaP.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 44.3 secs Computing kpt #: 2 total cpu time spent up to now is 46.2 secs Computing kpt #: 3 total cpu time spent up to now is 48.1 secs Computing kpt #: 4 total cpu time spent up to now is 49.9 secs Computing kpt #: 5 total cpu time spent up to now is 51.7 secs Computing kpt #: 6 total cpu time spent up to now is 53.5 secs Computing kpt #: 7 total cpu time spent up to now is 55.2 secs Computing kpt #: 8 total cpu time spent up to now is 56.6 secs Computing kpt #: 9 total cpu time spent up to now is 58.1 secs Computing kpt #: 10 total cpu time spent up to now is 59.6 secs Computing kpt #: 11 total cpu time spent up to now is 61.0 secs Computing kpt #: 12 total cpu time spent up to now is 62.4 secs Computing kpt #: 13 total cpu time spent up to now is 63.8 secs Computing kpt #: 14 total cpu time spent up to now is 65.2 secs Computing kpt #: 15 total cpu time spent up to now is 66.6 secs Computing kpt #: 16 total cpu time spent up to now is 68.0 secs Computing kpt #: 17 total cpu time spent up to now is 69.4 secs Computing kpt #: 18 total cpu time spent up to now is 70.8 secs Computing kpt #: 19 total cpu time spent up to now is 72.2 secs Computing kpt #: 20 total cpu time spent up to now is 73.6 secs Computing kpt #: 21 total cpu time spent up to now is 75.0 secs Computing kpt #: 22 total cpu time spent up to now is 76.4 secs Computing kpt #: 23 total cpu time spent up to now is 77.9 secs Computing kpt #: 24 total cpu time spent up to now is 79.3 secs Computing kpt #: 25 total cpu time spent up to now is 80.7 secs Computing kpt #: 26 total cpu time spent up to now is 82.1 secs Computing kpt #: 27 total cpu time spent up to now is 83.5 secs Computing kpt #: 28 total cpu time spent up to now is 84.9 secs Computing kpt #: 29 total cpu time spent up to now is 86.3 secs Computing kpt #: 30 total cpu time spent up to now is 87.8 secs Computing kpt #: 31 total cpu time spent up to now is 89.2 secs Computing kpt #: 32 total cpu time spent up to now is 90.6 secs Computing kpt #: 33 total cpu time spent up to now is 92.0 secs Computing kpt #: 34 total cpu time spent up to now is 93.4 secs Computing kpt #: 35 total cpu time spent up to now is 95.0 secs Computing kpt #: 36 total cpu time spent up to now is 96.4 secs Computing kpt #: 37 total cpu time spent up to now is 97.8 secs Computing kpt #: 38 total cpu time spent up to now is 99.3 secs Computing kpt #: 39 total cpu time spent up to now is 100.7 secs Computing kpt #: 40 total cpu time spent up to now is 102.1 secs Computing kpt #: 41 total cpu time spent up to now is 103.5 secs Computing kpt #: 42 total cpu time spent up to now is 104.7 secs Computing kpt #: 43 total cpu time spent up to now is 106.1 secs Computing kpt #: 44 total cpu time spent up to now is 107.5 secs Computing kpt #: 45 total cpu time spent up to now is 108.9 secs Computing kpt #: 46 total cpu time spent up to now is 110.4 secs Computing kpt #: 47 total cpu time spent up to now is 111.8 secs Computing kpt #: 48 total cpu time spent up to now is 113.2 secs Computing kpt #: 49 total cpu time spent up to now is 114.7 secs Computing kpt #: 50 total cpu time spent up to now is 116.2 secs Computing kpt #: 51 total cpu time spent up to now is 117.7 secs Computing kpt #: 52 total cpu time spent up to now is 119.3 secs Computing kpt #: 53 total cpu time spent up to now is 121.1 secs Computing kpt #: 54 total cpu time spent up to now is 122.9 secs Computing kpt #: 55 total cpu time spent up to now is 124.7 secs Computing kpt #: 56 total cpu time spent up to now is 126.6 secs Computing kpt #: 57 total cpu time spent up to now is 128.6 secs Computing kpt #: 58 total cpu time spent up to now is 130.5 secs Computing kpt #: 59 total cpu time spent up to now is 132.6 secs Computing kpt #: 60 total cpu time spent up to now is 134.4 secs Computing kpt #: 61 total cpu time spent up to now is 136.3 secs Computing kpt #: 62 total cpu time spent up to now is 138.1 secs Computing kpt #: 63 total cpu time spent up to now is 139.9 secs Computing kpt #: 64 total cpu time spent up to now is 141.7 secs Computing kpt #: 65 total cpu time spent up to now is 143.5 secs Computing kpt #: 66 total cpu time spent up to now is 145.1 secs Computing kpt #: 67 total cpu time spent up to now is 146.9 secs Computing kpt #: 68 total cpu time spent up to now is 148.5 secs Computing kpt #: 69 total cpu time spent up to now is 150.1 secs Computing kpt #: 70 total cpu time spent up to now is 151.6 secs Computing kpt #: 71 total cpu time spent up to now is 153.1 secs Computing kpt #: 72 total cpu time spent up to now is 154.8 secs Computing kpt #: 73 total cpu time spent up to now is 156.6 secs Computing kpt #: 74 total cpu time spent up to now is 158.4 secs Computing kpt #: 75 total cpu time spent up to now is 160.1 secs Computing kpt #: 76 total cpu time spent up to now is 161.9 secs Computing kpt #: 77 total cpu time spent up to now is 163.6 secs Computing kpt #: 78 total cpu time spent up to now is 165.3 secs Computing kpt #: 79 total cpu time spent up to now is 167.0 secs Computing kpt #: 80 total cpu time spent up to now is 168.6 secs Computing kpt #: 81 total cpu time spent up to now is 170.3 secs Computing kpt #: 82 total cpu time spent up to now is 171.9 secs Computing kpt #: 83 total cpu time spent up to now is 173.6 secs Computing kpt #: 84 total cpu time spent up to now is 175.2 secs Computing kpt #: 85 total cpu time spent up to now is 176.7 secs Computing kpt #: 86 total cpu time spent up to now is 178.3 secs Computing kpt #: 87 total cpu time spent up to now is 179.9 secs Computing kpt #: 88 total cpu time spent up to now is 181.4 secs Computing kpt #: 89 total cpu time spent up to now is 182.8 secs Computing kpt #: 90 total cpu time spent up to now is 184.2 secs Computing kpt #: 91 total cpu time spent up to now is 185.7 secs Computing kpt #: 92 total cpu time spent up to now is 187.1 secs Computing kpt #: 93 total cpu time spent up to now is 188.5 secs Computing kpt #: 94 total cpu time spent up to now is 189.9 secs Computing kpt #: 95 total cpu time spent up to now is 191.4 secs Computing kpt #: 96 total cpu time spent up to now is 192.9 secs Computing kpt #: 97 total cpu time spent up to now is 194.5 secs Computing kpt #: 98 total cpu time spent up to now is 195.9 secs Computing kpt #: 99 total cpu time spent up to now is 197.4 secs Computing kpt #: 100 total cpu time spent up to now is 198.8 secs Computing kpt #: 101 total cpu time spent up to now is 200.3 secs Computing kpt #: 102 total cpu time spent up to now is 201.7 secs Computing kpt #: 103 total cpu time spent up to now is 203.3 secs Computing kpt #: 104 total cpu time spent up to now is 204.7 secs Computing kpt #: 105 total cpu time spent up to now is 206.1 secs Computing kpt #: 106 total cpu time spent up to now is 207.6 secs Computing kpt #: 107 total cpu time spent up to now is 209.1 secs Computing kpt #: 108 total cpu time spent up to now is 210.6 secs Computing kpt #: 109 total cpu time spent up to now is 212.1 secs Computing kpt #: 110 total cpu time spent up to now is 213.6 secs Computing kpt #: 111 total cpu time spent up to now is 215.1 secs Computing kpt #: 112 total cpu time spent up to now is 216.6 secs Computing kpt #: 113 total cpu time spent up to now is 218.0 secs Computing kpt #: 114 total cpu time spent up to now is 219.4 secs Computing kpt #: 115 total cpu time spent up to now is 220.8 secs Computing kpt #: 116 total cpu time spent up to now is 222.3 secs Computing kpt #: 117 total cpu time spent up to now is 223.7 secs Computing kpt #: 118 total cpu time spent up to now is 225.1 secs Computing kpt #: 119 total cpu time spent up to now is 226.6 secs Computing kpt #: 120 total cpu time spent up to now is 228.0 secs Computing kpt #: 121 total cpu time spent up to now is 229.4 secs Computing kpt #: 122 total cpu time spent up to now is 230.9 secs Computing kpt #: 123 total cpu time spent up to now is 232.4 secs Computing kpt #: 124 total cpu time spent up to now is 233.8 secs Computing kpt #: 125 total cpu time spent up to now is 235.1 secs Computing kpt #: 126 total cpu time spent up to now is 236.6 secs Computing kpt #: 127 total cpu time spent up to now is 238.0 secs Computing kpt #: 128 total cpu time spent up to now is 239.3 secs Computing kpt #: 129 total cpu time spent up to now is 240.7 secs Computing kpt #: 130 total cpu time spent up to now is 242.1 secs Computing kpt #: 131 total cpu time spent up to now is 243.5 secs Computing kpt #: 132 total cpu time spent up to now is 244.9 secs Computing kpt #: 133 total cpu time spent up to now is 246.5 secs Computing kpt #: 134 total cpu time spent up to now is 247.9 secs Computing kpt #: 135 total cpu time spent up to now is 249.3 secs Computing kpt #: 136 total cpu time spent up to now is 250.8 secs Computing kpt #: 137 total cpu time spent up to now is 252.2 secs Computing kpt #: 138 total cpu time spent up to now is 253.6 secs Computing kpt #: 139 total cpu time spent up to now is 255.0 secs Computing kpt #: 140 total cpu time spent up to now is 256.4 secs Computing kpt #: 141 total cpu time spent up to now is 257.8 secs Computing kpt #: 142 total cpu time spent up to now is 259.2 secs Computing kpt #: 143 total cpu time spent up to now is 260.6 secs Computing kpt #: 144 total cpu time spent up to now is 261.9 secs Computing kpt #: 145 total cpu time spent up to now is 263.4 secs Computing kpt #: 146 total cpu time spent up to now is 264.8 secs Computing kpt #: 147 total cpu time spent up to now is 266.1 secs Computing kpt #: 148 total cpu time spent up to now is 267.5 secs Computing kpt #: 149 total cpu time spent up to now is 268.8 secs Computing kpt #: 150 total cpu time spent up to now is 270.2 secs Computing kpt #: 151 total cpu time spent up to now is 271.6 secs Computing kpt #: 152 total cpu time spent up to now is 272.9 secs Computing kpt #: 153 total cpu time spent up to now is 274.3 secs Computing kpt #: 154 total cpu time spent up to now is 275.6 secs Computing kpt #: 155 total cpu time spent up to now is 277.1 secs Computing kpt #: 156 total cpu time spent up to now is 278.5 secs Computing kpt #: 157 total cpu time spent up to now is 279.9 secs Computing kpt #: 158 total cpu time spent up to now is 281.4 secs Computing kpt #: 159 total cpu time spent up to now is 282.9 secs Computing kpt #: 160 total cpu time spent up to now is 284.3 secs Computing kpt #: 161 total cpu time spent up to now is 285.8 secs Computing kpt #: 162 total cpu time spent up to now is 287.2 secs Computing kpt #: 163 total cpu time spent up to now is 288.7 secs Computing kpt #: 164 total cpu time spent up to now is 290.1 secs Computing kpt #: 165 total cpu time spent up to now is 291.5 secs Computing kpt #: 166 total cpu time spent up to now is 293.0 secs Computing kpt #: 167 total cpu time spent up to now is 294.8 secs Computing kpt #: 168 total cpu time spent up to now is 296.3 secs Computing kpt #: 169 total cpu time spent up to now is 297.9 secs Computing kpt #: 170 total cpu time spent up to now is 299.7 secs Computing kpt #: 171 total cpu time spent up to now is 301.5 secs Computing kpt #: 172 total cpu time spent up to now is 303.3 secs Computing kpt #: 173 total cpu time spent up to now is 305.0 secs Computing kpt #: 174 total cpu time spent up to now is 306.8 secs Computing kpt #: 175 total cpu time spent up to now is 308.6 secs Computing kpt #: 176 total cpu time spent up to now is 310.5 secs Computing kpt #: 177 total cpu time spent up to now is 312.3 secs Computing kpt #: 178 total cpu time spent up to now is 314.1 secs Computing kpt #: 179 total cpu time spent up to now is 315.9 secs Computing kpt #: 180 total cpu time spent up to now is 317.6 secs Computing kpt #: 181 total cpu time spent up to now is 319.2 secs Computing kpt #: 182 total cpu time spent up to now is 320.7 secs Computing kpt #: 183 total cpu time spent up to now is 322.5 secs Computing kpt #: 184 total cpu time spent up to now is 324.0 secs Computing kpt #: 185 total cpu time spent up to now is 325.6 secs Computing kpt #: 186 total cpu time spent up to now is 327.1 secs Computing kpt #: 187 total cpu time spent up to now is 328.6 secs Computing kpt #: 188 total cpu time spent up to now is 330.0 secs Computing kpt #: 189 total cpu time spent up to now is 331.6 secs Computing kpt #: 190 total cpu time spent up to now is 333.0 secs Computing kpt #: 191 total cpu time spent up to now is 334.5 secs Computing kpt #: 192 total cpu time spent up to now is 336.0 secs Computing kpt #: 193 total cpu time spent up to now is 337.5 secs Computing kpt #: 194 total cpu time spent up to now is 338.9 secs Computing kpt #: 195 total cpu time spent up to now is 340.3 secs Computing kpt #: 196 total cpu time spent up to now is 341.7 secs Computing kpt #: 197 total cpu time spent up to now is 343.1 secs Computing kpt #: 198 total cpu time spent up to now is 344.5 secs Computing kpt #: 199 total cpu time spent up to now is 345.9 secs Computing kpt #: 200 total cpu time spent up to now is 347.2 secs Computing kpt #: 201 total cpu time spent up to now is 348.6 secs Computing kpt #: 202 total cpu time spent up to now is 349.9 secs Computing kpt #: 203 total cpu time spent up to now is 351.3 secs Computing kpt #: 204 total cpu time spent up to now is 352.7 secs Computing kpt #: 205 total cpu time spent up to now is 354.1 secs Computing kpt #: 206 total cpu time spent up to now is 355.5 secs Computing kpt #: 207 total cpu time spent up to now is 356.9 secs Computing kpt #: 208 total cpu time spent up to now is 358.2 secs Computing kpt #: 209 total cpu time spent up to now is 359.6 secs Computing kpt #: 210 total cpu time spent up to now is 361.0 secs Computing kpt #: 211 total cpu time spent up to now is 362.4 secs Computing kpt #: 212 total cpu time spent up to now is 363.8 secs Computing kpt #: 213 total cpu time spent up to now is 365.1 secs Computing kpt #: 214 total cpu time spent up to now is 366.5 secs Computing kpt #: 215 total cpu time spent up to now is 367.9 secs Computing kpt #: 216 total cpu time spent up to now is 369.3 secs Computing kpt #: 217 total cpu time spent up to now is 370.7 secs Computing kpt #: 218 total cpu time spent up to now is 372.1 secs Computing kpt #: 219 total cpu time spent up to now is 373.6 secs Computing kpt #: 220 total cpu time spent up to now is 375.1 secs Computing kpt #: 221 total cpu time spent up to now is 376.6 secs Computing kpt #: 222 total cpu time spent up to now is 378.1 secs Computing kpt #: 223 total cpu time spent up to now is 379.5 secs Computing kpt #: 224 total cpu time spent up to now is 380.9 secs Computing kpt #: 225 total cpu time spent up to now is 382.3 secs Computing kpt #: 226 total cpu time spent up to now is 383.7 secs Computing kpt #: 227 total cpu time spent up to now is 385.1 secs Computing kpt #: 228 total cpu time spent up to now is 386.5 secs Computing kpt #: 229 total cpu time spent up to now is 387.9 secs Computing kpt #: 230 total cpu time spent up to now is 389.3 secs Computing kpt #: 231 total cpu time spent up to now is 390.7 secs Computing kpt #: 232 total cpu time spent up to now is 392.0 secs Computing kpt #: 233 total cpu time spent up to now is 393.4 secs Computing kpt #: 234 total cpu time spent up to now is 394.8 secs Computing kpt #: 235 total cpu time spent up to now is 396.2 secs Computing kpt #: 236 total cpu time spent up to now is 397.6 secs Computing kpt #: 237 total cpu time spent up to now is 398.9 secs Computing kpt #: 238 total cpu time spent up to now is 400.3 secs Computing kpt #: 239 total cpu time spent up to now is 401.8 secs Computing kpt #: 240 total cpu time spent up to now is 403.2 secs Computing kpt #: 241 total cpu time spent up to now is 404.6 secs Computing kpt #: 242 total cpu time spent up to now is 406.1 secs Computing kpt #: 243 total cpu time spent up to now is 407.5 secs Computing kpt #: 244 total cpu time spent up to now is 408.9 secs Computing kpt #: 245 total cpu time spent up to now is 410.3 secs Computing kpt #: 246 total cpu time spent up to now is 411.8 secs Computing kpt #: 247 total cpu time spent up to now is 413.2 secs Computing kpt #: 248 total cpu time spent up to now is 414.7 secs Computing kpt #: 249 total cpu time spent up to now is 416.1 secs Computing kpt #: 250 total cpu time spent up to now is 417.5 secs Computing kpt #: 251 total cpu time spent up to now is 418.9 secs Computing kpt #: 252 total cpu time spent up to now is 420.3 secs Computing kpt #: 253 total cpu time spent up to now is 421.7 secs Computing kpt #: 254 total cpu time spent up to now is 423.2 secs Computing kpt #: 255 total cpu time spent up to now is 424.6 secs Computing kpt #: 256 total cpu time spent up to now is 426.0 secs Computing kpt #: 257 total cpu time spent up to now is 427.4 secs Computing kpt #: 258 total cpu time spent up to now is 428.8 secs Computing kpt #: 259 total cpu time spent up to now is 430.2 secs Computing kpt #: 260 total cpu time spent up to now is 431.6 secs Computing kpt #: 261 total cpu time spent up to now is 433.1 secs Computing kpt #: 262 total cpu time spent up to now is 434.5 secs Computing kpt #: 263 total cpu time spent up to now is 435.8 secs Computing kpt #: 264 total cpu time spent up to now is 437.2 secs Computing kpt #: 265 total cpu time spent up to now is 438.6 secs Computing kpt #: 266 total cpu time spent up to now is 440.1 secs Computing kpt #: 267 total cpu time spent up to now is 441.7 secs Computing kpt #: 268 total cpu time spent up to now is 443.1 secs Computing kpt #: 269 total cpu time spent up to now is 444.5 secs Computing kpt #: 270 total cpu time spent up to now is 445.9 secs Computing kpt #: 271 total cpu time spent up to now is 447.3 secs Computing kpt #: 272 total cpu time spent up to now is 448.8 secs Computing kpt #: 273 total cpu time spent up to now is 450.2 secs Computing kpt #: 274 total cpu time spent up to now is 451.7 secs Computing kpt #: 275 total cpu time spent up to now is 453.2 secs Computing kpt #: 276 total cpu time spent up to now is 454.7 secs Computing kpt #: 277 total cpu time spent up to now is 456.4 secs Computing kpt #: 278 total cpu time spent up to now is 458.0 secs Computing kpt #: 279 total cpu time spent up to now is 459.8 secs Computing kpt #: 280 total cpu time spent up to now is 461.3 secs Computing kpt #: 281 total cpu time spent up to now is 462.8 secs Computing kpt #: 282 total cpu time spent up to now is 464.4 secs Computing kpt #: 283 total cpu time spent up to now is 465.9 secs Computing kpt #: 284 total cpu time spent up to now is 467.4 secs Computing kpt #: 285 total cpu time spent up to now is 469.0 secs Computing kpt #: 286 total cpu time spent up to now is 470.5 secs Computing kpt #: 287 total cpu time spent up to now is 472.0 secs Computing kpt #: 288 total cpu time spent up to now is 473.5 secs Computing kpt #: 289 total cpu time spent up to now is 475.1 secs Computing kpt #: 290 total cpu time spent up to now is 476.7 secs Computing kpt #: 291 total cpu time spent up to now is 478.2 secs Computing kpt #: 292 total cpu time spent up to now is 479.8 secs Computing kpt #: 293 total cpu time spent up to now is 481.5 secs Computing kpt #: 294 total cpu time spent up to now is 483.2 secs Computing kpt #: 295 total cpu time spent up to now is 484.8 secs Computing kpt #: 296 total cpu time spent up to now is 486.5 secs Computing kpt #: 297 total cpu time spent up to now is 488.2 secs Computing kpt #: 298 total cpu time spent up to now is 489.9 secs Computing kpt #: 299 total cpu time spent up to now is 491.6 secs Computing kpt #: 300 total cpu time spent up to now is 493.2 secs Computing kpt #: 301 total cpu time spent up to now is 495.1 secs Computing kpt #: 302 total cpu time spent up to now is 496.8 secs Computing kpt #: 303 total cpu time spent up to now is 498.5 secs Computing kpt #: 304 total cpu time spent up to now is 500.2 secs Computing kpt #: 305 total cpu time spent up to now is 501.9 secs Computing kpt #: 306 total cpu time spent up to now is 503.6 secs Computing kpt #: 307 total cpu time spent up to now is 505.2 secs Computing kpt #: 308 total cpu time spent up to now is 507.0 secs Computing kpt #: 309 total cpu time spent up to now is 508.5 secs Computing kpt #: 310 total cpu time spent up to now is 510.3 secs Computing kpt #: 311 total cpu time spent up to now is 512.1 secs Computing kpt #: 312 total cpu time spent up to now is 513.7 secs Computing kpt #: 313 total cpu time spent up to now is 515.2 secs Computing kpt #: 314 total cpu time spent up to now is 516.8 secs Computing kpt #: 315 total cpu time spent up to now is 518.5 secs Computing kpt #: 316 total cpu time spent up to now is 520.1 secs Computing kpt #: 317 total cpu time spent up to now is 521.9 secs Computing kpt #: 318 total cpu time spent up to now is 523.6 secs Computing kpt #: 319 total cpu time spent up to now is 525.2 secs Computing kpt #: 320 total cpu time spent up to now is 527.0 secs Computing kpt #: 321 total cpu time spent up to now is 528.7 secs Computing kpt #: 322 total cpu time spent up to now is 530.5 secs Computing kpt #: 323 total cpu time spent up to now is 532.0 secs Computing kpt #: 324 total cpu time spent up to now is 533.8 secs Computing kpt #: 325 total cpu time spent up to now is 535.6 secs Computing kpt #: 326 total cpu time spent up to now is 537.3 secs Computing kpt #: 327 total cpu time spent up to now is 539.0 secs Computing kpt #: 328 total cpu time spent up to now is 540.7 secs Computing kpt #: 329 total cpu time spent up to now is 542.4 secs Computing kpt #: 330 total cpu time spent up to now is 544.1 secs Computing kpt #: 331 total cpu time spent up to now is 546.0 secs Computing kpt #: 332 total cpu time spent up to now is 547.6 secs Computing kpt #: 333 total cpu time spent up to now is 549.2 secs Computing kpt #: 334 total cpu time spent up to now is 550.8 secs Computing kpt #: 335 total cpu time spent up to now is 552.4 secs Computing kpt #: 336 total cpu time spent up to now is 553.9 secs Computing kpt #: 337 total cpu time spent up to now is 555.4 secs Computing kpt #: 338 total cpu time spent up to now is 556.8 secs Computing kpt #: 339 total cpu time spent up to now is 558.2 secs Computing kpt #: 340 total cpu time spent up to now is 559.7 secs Computing kpt #: 341 total cpu time spent up to now is 561.0 secs Computing kpt #: 342 total cpu time spent up to now is 562.4 secs Computing kpt #: 343 total cpu time spent up to now is 563.8 secs Computing kpt #: 344 total cpu time spent up to now is 565.0 secs Computing kpt #: 345 total cpu time spent up to now is 566.3 secs Computing kpt #: 346 total cpu time spent up to now is 567.5 secs Computing kpt #: 347 total cpu time spent up to now is 568.9 secs Computing kpt #: 348 total cpu time spent up to now is 570.3 secs Computing kpt #: 349 total cpu time spent up to now is 571.5 secs Computing kpt #: 350 total cpu time spent up to now is 572.7 secs Computing kpt #: 351 total cpu time spent up to now is 574.0 secs Computing kpt #: 352 total cpu time spent up to now is 575.4 secs Computing kpt #: 353 total cpu time spent up to now is 576.8 secs Computing kpt #: 354 total cpu time spent up to now is 578.1 secs Computing kpt #: 355 total cpu time spent up to now is 579.5 secs Computing kpt #: 356 total cpu time spent up to now is 580.8 secs Computing kpt #: 357 total cpu time spent up to now is 582.2 secs Computing kpt #: 358 total cpu time spent up to now is 583.6 secs Computing kpt #: 359 total cpu time spent up to now is 584.9 secs Computing kpt #: 360 total cpu time spent up to now is 586.2 secs Computing kpt #: 361 total cpu time spent up to now is 587.6 secs Computing kpt #: 362 total cpu time spent up to now is 589.0 secs Computing kpt #: 363 total cpu time spent up to now is 590.2 secs Computing kpt #: 364 total cpu time spent up to now is 591.4 secs Computing kpt #: 365 total cpu time spent up to now is 592.7 secs Computing kpt #: 366 total cpu time spent up to now is 593.9 secs Computing kpt #: 367 total cpu time spent up to now is 595.1 secs Computing kpt #: 368 total cpu time spent up to now is 596.4 secs Computing kpt #: 369 total cpu time spent up to now is 597.6 secs Computing kpt #: 370 total cpu time spent up to now is 598.8 secs Computing kpt #: 371 total cpu time spent up to now is 600.0 secs Computing kpt #: 372 total cpu time spent up to now is 601.2 secs Computing kpt #: 373 total cpu time spent up to now is 602.5 secs Computing kpt #: 374 total cpu time spent up to now is 603.7 secs Computing kpt #: 375 total cpu time spent up to now is 604.9 secs Computing kpt #: 376 total cpu time spent up to now is 606.1 secs Computing kpt #: 377 total cpu time spent up to now is 607.3 secs Computing kpt #: 378 total cpu time spent up to now is 608.6 secs Computing kpt #: 379 total cpu time spent up to now is 609.8 secs Computing kpt #: 380 total cpu time spent up to now is 611.0 secs Computing kpt #: 381 total cpu time spent up to now is 612.4 secs Computing kpt #: 382 total cpu time spent up to now is 613.8 secs Computing kpt #: 383 total cpu time spent up to now is 615.1 secs Computing kpt #: 384 total cpu time spent up to now is 616.5 secs Computing kpt #: 385 total cpu time spent up to now is 617.9 secs Computing kpt #: 386 total cpu time spent up to now is 619.2 secs Computing kpt #: 387 total cpu time spent up to now is 620.6 secs Computing kpt #: 388 total cpu time spent up to now is 621.9 secs Computing kpt #: 389 total cpu time spent up to now is 623.4 secs Computing kpt #: 390 total cpu time spent up to now is 624.7 secs Computing kpt #: 391 total cpu time spent up to now is 626.1 secs Computing kpt #: 392 total cpu time spent up to now is 627.7 secs Computing kpt #: 393 total cpu time spent up to now is 629.3 secs Computing kpt #: 394 total cpu time spent up to now is 630.9 secs Computing kpt #: 395 total cpu time spent up to now is 632.6 secs Computing kpt #: 396 total cpu time spent up to now is 634.3 secs Computing kpt #: 397 total cpu time spent up to now is 635.9 secs Computing kpt #: 398 total cpu time spent up to now is 637.5 secs Computing kpt #: 399 total cpu time spent up to now is 639.2 secs Computing kpt #: 400 total cpu time spent up to now is 640.7 secs Computing kpt #: 401 total cpu time spent up to now is 642.4 secs Computing kpt #: 402 total cpu time spent up to now is 644.1 secs Computing kpt #: 403 total cpu time spent up to now is 645.6 secs Computing kpt #: 404 total cpu time spent up to now is 647.2 secs Computing kpt #: 405 total cpu time spent up to now is 649.0 secs Computing kpt #: 406 total cpu time spent up to now is 650.6 secs ethr = 2.78E-11, avg # of iterations = 27.8 total cpu time spent up to now is 650.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2099 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6906 -24.6906 -24.6226 -24.6226 -16.1539 -16.1539 -15.9590 -15.9590 -15.9132 -15.9132 -15.8277 -15.8277 2.3348 2.3348 5.1755 5.1755 8.9847 8.9847 12.6952 12.6952 13.4753 13.4753 13.5131 13.5131 13.5921 13.5921 14.1021 14.1021 14.4017 14.4017 14.4928 14.4928 17.1949 17.1949 18.1564 18.1564 18.6532 18.6532 19.2066 19.2066 k = 0.0000 0.0000 0.0195 ( 2099 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6908 -24.6905 -24.6227 -24.6227 -16.1547 -16.1530 -15.9601 -15.9582 -15.9138 -15.9130 -15.8287 -15.8269 2.3364 2.3367 5.1711 5.1814 8.9822 8.9888 12.6893 12.6944 13.4633 13.4843 13.5077 13.5148 13.5902 13.5978 14.0795 14.1164 14.3842 14.4193 14.4943 14.4955 17.1860 17.1971 18.1407 18.1615 18.6526 18.6576 19.1834 19.2140 k = 0.0000 0.0000 0.0391 ( 2103 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6910 -24.6905 -24.6229 -24.6228 -16.1555 -16.1522 -15.9615 -15.9577 -15.9146 -15.9131 -15.8298 -15.8262 2.3413 2.3419 5.1681 5.1886 8.9813 8.9946 12.6771 12.6869 13.4477 13.4917 13.4967 13.5157 13.5928 13.6044 14.0505 14.1202 14.3717 14.4300 14.4979 14.5074 17.1704 17.1925 18.1148 18.1557 18.6557 18.6658 19.1499 19.2042 k = 0.0000 0.0000 0.0586 ( 2099 PWs) bands (ev): -51.7832 -51.7832 -51.7664 -51.7664 -24.6912 -24.6904 -24.6231 -24.6230 -16.1562 -16.1513 -15.9631 -15.9575 -15.9157 -15.9134 -15.8310 -15.8256 2.3498 2.3507 5.1665 5.1972 8.9822 9.0020 12.6588 12.6731 13.4291 13.4808 13.4986 13.5166 13.5973 13.6086 14.0170 14.1130 14.3667 14.4311 14.5036 14.5304 17.1480 17.1812 18.0791 18.1389 18.6626 18.6781 19.1107 19.1812 k = 0.0000 0.0000 0.0782 ( 2097 PWs) bands (ev): -51.7831 -51.7831 -51.7663 -51.7663 -24.6914 -24.6904 -24.6235 -24.6234 -16.1569 -16.1502 -15.9650 -15.9575 -15.9172 -15.9141 -15.8324 -15.8252 2.3616 2.3628 5.1663 5.2071 8.9847 9.0110 12.6349 12.6531 13.4082 13.4617 13.5048 13.5168 13.6003 13.6079 13.9803 14.0963 14.3690 14.4269 14.5123 14.5606 17.1191 17.1633 18.0340 18.1111 18.6736 18.6945 19.0688 19.1500 k = 0.0000 0.0000 0.0977 ( 2105 PWs) bands (ev): -51.7830 -51.7830 -51.7663 -51.7663 -24.6919 -24.6906 -24.6240 -24.6238 -16.1578 -16.1494 -15.9673 -15.9579 -15.9190 -15.9151 -15.8340 -15.8250 2.3768 2.3783 5.1675 5.2182 8.9891 9.0218 12.6059 12.6274 13.3858 13.4405 13.5091 13.5146 13.5989 13.6004 13.9425 14.0737 14.3773 14.4215 14.5249 14.5949 17.0839 17.1390 17.9802 18.0730 18.6889 18.7151 19.0259 19.1143 k = 0.0000 0.0000 0.1173 ( 2101 PWs) bands (ev): -51.7829 -51.7829 -51.7662 -51.7662 -24.6922 -24.6907 -24.6245 -24.6243 -16.1585 -16.1485 -15.9697 -15.9585 -15.9210 -15.9162 -15.8356 -15.8248 2.3953 2.3972 5.1701 5.2305 8.9953 9.0342 12.5723 12.5966 13.3624 13.4179 13.5082 13.5093 13.5843 13.5914 13.9056 14.0491 14.3905 14.4181 14.5421 14.6316 17.0429 17.1087 17.9182 18.0251 18.7086 18.7398 18.9829 19.0761 k = 0.0000 0.0000 0.1368 ( 2097 PWs) bands (ev): -51.7828 -51.7828 -51.7661 -51.7661 -24.6926 -24.6908 -24.6251 -24.6248 -16.1592 -16.1474 -15.9724 -15.9593 -15.9233 -15.9177 -15.8373 -15.8249 2.4172 2.4195 5.1740 5.2440 9.0034 9.0485 12.5344 12.5610 13.3381 13.3943 13.4952 13.5016 13.5586 13.5769 13.8728 14.0262 14.4084 14.4190 14.5639 14.6701 16.9965 17.0729 17.8487 17.9682 18.7329 18.7684 18.9405 19.0367 k = 0.0000 0.0000 0.1564 ( 2101 PWs) bands (ev): -51.7826 -51.7826 -51.7660 -51.7660 -24.6932 -24.6911 -24.6258 -24.6255 -16.1599 -16.1465 -15.9754 -15.9607 -15.9259 -15.9194 -15.8391 -15.8250 2.4423 2.4451 5.1792 5.2585 9.0136 9.0647 12.4927 12.5210 13.3129 13.3696 13.4738 13.4819 13.5230 13.5550 13.8474 14.0079 14.4256 14.4312 14.5897 14.7100 16.9454 17.0322 17.7724 17.9035 18.7617 18.8004 18.8990 18.9969 k = 0.0000 0.0000 0.1759 ( 2101 PWs) bands (ev): -51.7824 -51.7824 -51.7659 -51.7659 -24.6937 -24.6914 -24.6266 -24.6263 -16.1606 -16.1454 -15.9787 -15.9622 -15.9288 -15.9214 -15.8411 -15.8254 2.4707 2.4739 5.1856 5.2739 9.0260 9.0828 12.4474 12.4771 13.2870 13.3438 13.4419 13.4483 13.4787 13.5247 13.8323 13.9960 14.4390 14.4593 14.6190 14.7511 16.8905 16.9876 17.6902 17.8319 18.7949 18.8315 18.8627 18.9573 k = 0.0000 0.0000 0.1955 ( 2105 PWs) bands (ev): -51.7822 -51.7822 -51.7659 -51.7659 -24.6943 -24.6918 -24.6275 -24.6271 -16.1614 -16.1444 -15.9822 -15.9640 -15.9319 -15.9236 -15.8431 -15.8258 2.5022 2.5060 5.1932 5.2902 9.0406 9.1030 12.3987 12.4294 13.2600 13.3165 13.3972 13.4025 13.4285 13.4842 13.8285 13.9912 14.4593 14.4925 14.6514 14.7932 16.8326 16.9400 17.6030 17.7545 18.8121 18.8320 18.8804 18.9180 k = 0.0000 0.0000 0.2150 ( 2105 PWs) bands (ev): -51.7820 -51.7820 -51.7657 -51.7657 -24.6949 -24.6922 -24.6284 -24.6280 -16.1620 -16.1434 -15.9859 -15.9661 -15.9353 -15.9260 -15.8452 -15.8264 2.5369 2.5412 5.2018 5.3072 9.0575 9.1253 12.3468 12.3781 13.2316 13.2865 13.3387 13.3484 13.3760 13.4334 13.8346 13.9930 14.4859 14.5302 14.6863 14.8360 16.7729 16.8905 17.5118 17.6726 18.7732 18.8727 18.8795 18.9212 k = 0.0000 0.0000 0.2346 ( 2105 PWs) bands (ev): -51.7818 -51.7818 -51.7656 -51.7656 -24.6956 -24.6926 -24.6295 -24.6290 -16.1627 -16.1422 -15.9898 -15.9684 -15.9390 -15.9286 -15.8474 -15.8272 2.5747 2.5796 5.2115 5.3248 9.0769 9.1498 12.2916 12.3232 13.2008 13.2492 13.2695 13.2929 13.3214 13.3739 13.8481 14.0005 14.5182 14.5718 14.7237 14.8792 16.7122 16.8403 17.4176 17.5870 18.7336 18.8412 18.9168 18.9653 k = 0.0000 0.0000 0.2541 ( 2097 PWs) bands (ev): -51.7815 -51.7815 -51.7655 -51.7655 -24.6962 -24.6930 -24.6305 -24.6300 -16.1633 -16.1410 -15.9939 -15.9709 -15.9429 -15.9314 -15.8496 -15.8280 2.6155 2.6211 5.2221 5.3429 9.0990 9.1766 12.2331 12.2648 13.1623 13.1941 13.1975 13.2471 13.2652 13.3088 13.8668 14.0123 14.5550 14.6163 14.7634 14.9228 16.6519 16.7906 17.3215 17.4990 18.6943 18.8037 18.9635 19.0115 k = 0.0000 0.0000 0.2737 ( 2101 PWs) bands (ev): -51.7813 -51.7813 -51.7653 -51.7653 -24.6968 -24.6934 -24.6318 -24.6313 -16.1639 -16.1399 -15.9982 -15.9738 -15.9471 -15.9345 -15.8521 -15.8291 2.6591 2.6655 5.2335 5.3614 9.1237 9.2058 12.1713 12.2027 13.0950 13.1241 13.1439 13.2053 13.2098 13.2445 13.8889 14.0272 14.5953 14.6624 14.8055 14.9663 16.5928 16.7424 17.2242 17.4092 18.6552 18.7667 19.0124 19.0593 k = 0.0000 0.0000 0.2932 ( 2105 PWs) bands (ev): -51.7810 -51.7810 -51.7652 -51.7652 -24.6976 -24.6940 -24.6331 -24.6325 -16.1646 -16.1387 -16.0028 -15.9770 -15.9516 -15.9377 -15.8545 -15.8304 2.7057 2.7128 5.2457 5.3801 9.1513 9.2374 12.1061 12.1370 13.0081 13.0464 13.0976 13.1483 13.1594 13.1955 13.9131 14.0440 14.6380 14.7092 14.8502 15.0095 16.5361 16.6971 17.1269 17.3186 18.6164 18.7302 19.0629 19.1082 k = 0.0000 0.0000 0.3128 ( 2101 PWs) bands (ev): -51.7807 -51.7807 -51.7650 -51.7650 -24.6983 -24.6945 -24.6345 -24.6338 -16.1652 -16.1374 -16.0075 -15.9802 -15.9561 -15.9410 -15.8570 -15.8317 2.7550 2.7630 5.2586 5.3990 9.1817 9.2716 12.0376 12.0676 12.9153 12.9630 13.0449 13.0798 13.1163 13.1584 13.9386 14.0617 14.6821 14.7555 14.8975 15.0522 16.4830 16.6556 17.0307 17.2282 18.5779 18.6940 19.1147 19.1578 k = 0.0000 0.0000 0.3323 ( 2101 PWs) bands (ev): -51.7803 -51.7803 -51.7648 -51.7648 -24.6991 -24.6951 -24.6359 -24.6352 -16.1659 -16.1362 -16.0124 -15.9838 -15.9609 -15.9445 -15.8596 -15.8331 2.8070 2.8159 5.2720 5.4179 9.2151 9.3084 11.9656 11.9944 12.8189 12.8746 12.9878 13.0108 13.0778 13.1232 13.9645 14.0793 14.7264 14.8007 14.9472 15.0941 16.4346 16.6188 16.9369 17.1384 18.5398 18.6583 19.1673 19.2080 k = 0.0000 0.0000 0.3519 ( 2099 PWs) bands (ev): -51.7800 -51.7800 -51.7646 -51.7646 -24.6999 -24.6957 -24.6373 -24.6366 -16.1666 -16.1349 -16.0174 -15.9876 -15.9659 -15.9480 -15.8622 -15.8347 2.8615 2.8714 5.2859 5.4366 9.2515 9.3478 11.8903 11.9177 12.7202 12.7817 12.9296 12.9447 13.0410 13.0877 13.9901 14.0959 14.7702 14.8442 14.9989 15.1349 16.3922 16.5871 16.8471 17.0502 18.5019 18.6228 19.2203 19.2583 k = 0.0000 0.0000 0.3714 ( 2095 PWs) bands (ev): -51.7796 -51.7796 -51.7645 -51.7645 -24.7007 -24.6964 -24.6388 -24.6380 -16.1673 -16.1335 -16.0226 -15.9916 -15.9710 -15.9516 -15.8649 -15.8363 2.9186 2.9296 5.3002 5.4551 9.2910 9.3898 11.8118 11.8375 12.6199 12.6852 12.8725 12.8824 13.0041 13.0512 14.0147 14.1107 14.8124 14.8860 15.0514 15.1742 16.3570 16.5598 16.7640 16.9641 18.4645 18.5875 19.2735 19.3087 k = 0.0000 0.0000 0.3910 ( 2095 PWs) bands (ev): -51.7792 -51.7792 -51.7643 -51.7643 -24.7016 -24.6971 -24.6404 -24.6395 -16.1680 -16.1322 -16.0280 -15.9957 -15.9763 -15.9553 -15.8677 -15.8381 2.9780 2.9901 5.3148 5.4733 9.3335 9.4346 11.7303 11.7541 12.5188 12.5860 12.8174 12.8240 12.9664 13.0133 14.0376 14.1228 14.8523 14.9263 15.1036 15.2116 16.3302 16.5333 16.6931 16.8809 18.4276 18.5526 19.3265 19.3588 k = 0.0000 0.0000 0.4105 ( 2093 PWs) bands (ev): -51.7788 -51.7788 -51.7641 -51.7641 -24.7025 -24.6978 -24.6420 -24.6411 -16.1688 -16.1309 -16.0335 -16.0001 -15.9816 -15.9590 -15.8705 -15.8401 3.0396 3.0529 5.3296 5.4910 9.3791 9.4820 11.6461 11.6680 12.4175 12.4851 12.7649 12.7698 12.9277 12.9741 14.0582 14.1313 14.8892 14.9652 15.1545 15.2468 16.3128 16.4991 16.6450 16.8014 18.3915 18.5179 19.3790 19.4087 k = 0.0000 0.0000 0.4301 ( 2089 PWs) bands (ev): -51.7784 -51.7784 -51.7639 -51.7639 -24.7034 -24.6985 -24.6437 -24.6427 -16.1696 -16.1295 -16.0390 -16.0046 -15.9872 -15.9627 -15.8733 -15.8421 3.1033 3.1180 5.3445 5.5081 9.4277 9.5320 11.5596 11.5794 12.3165 12.3832 12.7153 12.7194 12.8877 12.9334 14.0758 14.1357 14.9227 15.0025 15.2030 15.2792 16.3053 16.4509 16.6272 16.7264 18.3562 18.4837 19.4309 19.4581 k = 0.0000 0.0000 0.4496 ( 2089 PWs) bands (ev): -51.7780 -51.7780 -51.7637 -51.7637 -24.7042 -24.6993 -24.6455 -24.6444 -16.1704 -16.1280 -16.0447 -16.0093 -15.9929 -15.9665 -15.8763 -15.8443 3.1690 3.1850 5.3595 5.5246 9.4791 9.5845 11.4712 11.4888 12.2166 12.2810 12.6688 12.6728 12.8462 12.8913 14.0895 14.1352 14.9525 15.0381 15.2489 15.3083 16.3073 16.3961 16.6340 16.6577 18.3221 18.4499 19.4818 19.5069 k = 0.0000 0.0000 0.4692 ( 2089 PWs) bands (ev): -51.7776 -51.7776 -51.7635 -51.7635 -24.7051 -24.7000 -24.6473 -24.6461 -16.1713 -16.1266 -16.0505 -16.0141 -15.9987 -15.9703 -15.8793 -15.8465 3.2366 3.2540 5.3744 5.5403 9.5333 9.6395 11.3814 11.3969 12.1182 12.1792 12.6253 12.6296 12.8033 12.8478 14.0986 14.1293 14.9787 15.0712 15.2922 15.3335 16.3160 16.3434 16.5989 16.6579 18.2894 18.4169 19.5317 19.5550 k = 0.0000 0.0000 0.4887 ( 2085 PWs) bands (ev): -51.7771 -51.7771 -51.7632 -51.7632 -24.7060 -24.7008 -24.6491 -24.6479 -16.1723 -16.1251 -16.0564 -16.0189 -16.0045 -15.9740 -15.8823 -15.8489 3.3058 3.3248 5.3891 5.5552 9.5900 9.6967 11.2907 11.3041 12.0220 12.0783 12.5848 12.5897 12.7590 12.8031 14.1026 14.1178 15.0013 15.1011 15.3339 15.3541 16.2977 16.3237 16.5577 16.6950 18.2585 18.3850 19.5803 19.6023 k = 0.0000 0.0000 0.5083 ( 2081 PWs) bands (ev): -51.7767 -51.7767 -51.7630 -51.7630 -24.7069 -24.7016 -24.6510 -24.6497 -16.1733 -16.1235 -16.0623 -16.0240 -16.0105 -15.9777 -15.8853 -15.8513 3.3765 3.3971 5.4037 5.5692 9.6488 9.7561 11.1995 11.2108 11.9285 11.9789 12.5473 12.5525 12.7133 12.7572 14.1003 14.1007 15.0208 15.1269 15.3695 15.3752 16.2616 16.3173 16.5468 16.7434 18.2297 18.3542 19.6276 19.6485 k = 0.0000 0.0000 0.5278 ( 2079 PWs) bands (ev): -51.7762 -51.7762 -51.7628 -51.7628 -24.7078 -24.7024 -24.6529 -24.6515 -16.1744 -16.1220 -16.0683 -16.0290 -16.0165 -15.9812 -15.8884 -15.8538 3.4486 3.4708 5.4179 5.5822 9.7095 9.8172 11.1084 11.1176 11.8384 11.8817 12.5124 12.5179 12.6661 12.7106 14.0769 14.0924 15.0375 15.1480 15.3790 15.4169 16.2369 16.2906 16.5717 16.8015 18.2034 18.3251 19.6732 19.6937 k = 0.0000 0.0000 0.5474 ( 2077 PWs) bands (ev): -51.7757 -51.7757 -51.7626 -51.7626 -24.7087 -24.7032 -24.6549 -24.6534 -16.1756 -16.1204 -16.0743 -16.0342 -16.0225 -15.9847 -15.8915 -15.8564 3.5219 3.5458 5.4318 5.5942 9.7714 9.8797 11.0179 11.0251 11.7524 11.7872 12.4802 12.4853 12.6177 12.6635 14.0478 14.0776 15.0521 15.1645 15.3824 15.4594 16.2248 16.2525 16.6231 16.8682 18.1800 18.2980 19.7172 19.7375 k = 0.0000 0.0000 0.5669 ( 2073 PWs) bands (ev): -51.7753 -51.7753 -51.7623 -51.7623 -24.7095 -24.7039 -24.6569 -24.6554 -16.1768 -16.1188 -16.0803 -16.0393 -16.0287 -15.9882 -15.8948 -15.8591 3.5962 3.6218 5.4453 5.6052 9.8341 9.9432 10.9284 10.9335 11.6713 11.6960 12.4504 12.4541 12.5680 12.6165 14.0132 14.0560 15.0651 15.1770 15.3795 15.5013 16.2127 16.2254 16.6909 16.9425 18.1600 18.2734 19.7592 19.7799 k = 0.0000 0.0000 0.5865 ( 2073 PWs) bands (ev): -51.7748 -51.7748 -51.7621 -51.7621 -24.7104 -24.7047 -24.6590 -24.6573 -16.1782 -16.1173 -16.0864 -16.0446 -16.0348 -15.9914 -15.8980 -15.8619 3.6713 3.6987 5.4582 5.6151 9.8966 10.0071 10.8403 10.8434 11.5960 11.6090 12.4228 12.4235 12.5172 12.5703 13.9735 14.0277 15.0769 15.1863 15.3707 15.5403 16.1779 16.2387 16.7695 17.0231 18.1436 18.2514 19.7992 19.8205 k = 0.0000 0.0000 0.6060 ( 2077 PWs) bands (ev): -51.7743 -51.7743 -51.7619 -51.7619 -24.7113 -24.7056 -24.6611 -24.6593 -16.1797 -16.1157 -16.0925 -16.0499 -16.0409 -15.9945 -15.9013 -15.8647 3.7469 3.7762 5.4706 5.6238 9.9579 10.0706 10.7543 10.7551 11.5269 11.5276 12.3923 12.3973 12.4654 12.5263 13.9291 13.9931 15.0877 15.1936 15.3569 15.5724 16.1535 16.2640 16.8558 17.1092 18.1312 18.2327 19.8368 19.8591 k = 0.0000 0.0000 0.6256 ( 2083 PWs) bands (ev): -51.7739 -51.7739 -51.7617 -51.7617 -24.7123 -24.7065 -24.6632 -24.6613 -16.1814 -16.1142 -16.0987 -16.0553 -16.0469 -15.9974 -15.9047 -15.8677 3.8230 3.8542 5.4825 5.6315 10.0168 10.1327 10.6691 10.6707 11.4507 11.4673 12.3590 12.3737 12.4128 12.4859 13.8806 13.9527 15.0978 15.1997 15.3390 15.5926 16.1447 16.3001 16.9476 17.1999 18.1231 18.2175 19.8721 19.8956 k = 0.0000 0.0000 0.6451 ( 2083 PWs) bands (ev): -51.7734 -51.7734 -51.7615 -51.7615 -24.7132 -24.7073 -24.6652 -24.6633 -16.1831 -16.1127 -16.1048 -16.0606 -16.0529 -16.0001 -15.9081 -15.8706 3.8992 3.9322 5.4936 5.6379 10.0717 10.1921 10.5858 10.5900 11.3818 11.4166 12.3223 12.3507 12.3606 12.4505 13.8284 13.9069 15.1067 15.2055 15.3184 15.5968 16.1556 16.3461 17.0435 17.2943 18.1195 18.2062 19.9047 19.9298 k = 0.0000 0.0000 0.6647 ( 2079 PWs) bands (ev): -51.7729 -51.7729 -51.7613 -51.7613 -24.7140 -24.7081 -24.6673 -24.6653 -16.1849 -16.1112 -16.1108 -16.0657 -16.0587 -16.0025 -15.9114 -15.8736 3.9754 4.0103 5.5041 5.6433 10.1207 10.2470 10.5056 10.5129 11.3215 11.3770 12.2816 12.3046 12.3326 12.4207 13.7731 13.8564 15.1136 15.2115 15.2973 15.5840 16.1873 16.4008 17.1423 17.3916 18.1209 18.1992 19.9345 19.9613 k = 0.0000 0.0000 0.6842 ( 2083 PWs) bands (ev): -51.7724 -51.7724 -51.7611 -51.7611 -24.7149 -24.7089 -24.6694 -24.6673 -16.1869 -16.1169 -16.1098 -16.0710 -16.0645 -16.0048 -15.9149 -15.8767 4.0513 4.0880 5.5138 5.6474 10.1615 10.2950 10.4294 10.4403 11.2716 11.3501 12.2376 12.2505 12.3135 12.3960 13.7152 13.8021 15.1163 15.2181 15.2784 15.5564 16.2372 16.4631 17.2430 17.4910 18.1271 18.1966 19.9612 19.9901 k = 0.0000 0.0000 0.7038 ( 2079 PWs) bands (ev): -51.7719 -51.7719 -51.7608 -51.7608 -24.7156 -24.7096 -24.6715 -24.6694 -16.1889 -16.1228 -16.1086 -16.0760 -16.0700 -16.0068 -15.9183 -15.8798 4.1267 4.1651 5.5227 5.6504 10.1912 10.3266 10.3645 10.3740 11.2341 11.3372 12.1917 12.1960 12.2958 12.3753 13.6552 13.7445 15.1117 15.2257 15.2657 15.5181 16.3012 16.5322 17.3448 17.5917 18.1385 18.1988 19.9848 20.0159 k = 0.0000 0.0000 0.7233 ( 2075 PWs) bands (ev): -51.7714 -51.7714 -51.7606 -51.7606 -24.7164 -24.7104 -24.6736 -24.6713 -16.1910 -16.1286 -16.1076 -16.0810 -16.0751 -16.0085 -15.9217 -15.8829 4.2013 4.2414 5.5308 5.6523 10.2039 10.2798 10.3191 10.3714 11.2106 11.3392 12.1414 12.1452 12.2792 12.3573 13.5936 13.6844 15.0972 15.2345 15.2624 15.4726 16.3759 16.6074 17.4466 17.6931 18.1551 18.2058 20.0050 20.0386 k = 0.0000 0.0000 0.7429 ( 2075 PWs) bands (ev): -51.7709 -51.7709 -51.7604 -51.7604 -24.7172 -24.7111 -24.6757 -24.6733 -16.1932 -16.1345 -16.1072 -16.0861 -16.0795 -16.0101 -15.9252 -15.8860 4.2749 4.3167 5.5380 5.6531 10.1884 10.2154 10.2869 10.3880 11.2017 11.3556 12.0871 12.0994 12.2634 12.3412 13.5308 13.6225 15.0732 15.2444 15.2684 15.4226 16.4585 16.6880 17.5478 17.7944 18.1771 18.2179 20.0218 20.0580 k = 0.0000 0.0000 0.7624 ( 2067 PWs) bands (ev): -51.7704 -51.7704 -51.7602 -51.7602 -24.7179 -24.7119 -24.6776 -24.6751 -16.1954 -16.1402 -16.1074 -16.0911 -16.0829 -16.0113 -15.9286 -15.8892 4.3473 4.3905 5.5443 5.6527 10.1481 10.1543 10.2752 10.3938 11.2066 11.3854 12.0335 12.0556 12.2481 12.3262 13.4674 13.5594 15.0428 15.2555 15.2815 15.3702 16.5474 16.7734 17.6476 17.8946 18.2045 18.2354 20.0351 20.0742 k = 0.0000 0.0000 0.7820 ( 2067 PWs) bands (ev): -51.7699 -51.7699 -51.7601 -51.7601 -24.7186 -24.7126 -24.6796 -24.6771 -16.1978 -16.1458 -16.1088 -16.0962 -16.0850 -16.0124 -15.9321 -15.8924 4.4181 4.4627 5.5497 5.6513 10.0974 10.1011 10.2675 10.3894 11.2226 11.4260 11.9810 12.0151 12.2332 12.3119 13.4039 13.4957 15.0084 15.2675 15.2993 15.3167 16.6410 16.8631 17.7450 17.9926 18.2375 18.2588 20.0448 20.0872 k = 0.0000 0.0000 0.8015 ( 2067 PWs) bands (ev): -51.7694 -51.7694 -51.7599 -51.7599 -24.7193 -24.7133 -24.6816 -24.6790 -16.2002 -16.1514 -16.1112 -16.1013 -16.0859 -16.0132 -15.9355 -15.8956 4.4872 4.5330 5.5542 5.6489 10.0451 10.0556 10.2578 10.3771 11.2454 11.4743 11.9307 11.9796 12.2183 12.2977 13.3408 13.4322 14.9722 15.2612 15.2826 15.3204 16.7387 16.9567 17.8392 18.0866 18.2761 18.2891 20.0509 20.0969 k = 0.0000 0.0000 0.8211 ( 2067 PWs) bands (ev): -51.7689 -51.7689 -51.7597 -51.7597 -24.7200 -24.7140 -24.6836 -24.6809 -16.2026 -16.1568 -16.1145 -16.1064 -16.0857 -16.0139 -15.9390 -15.8989 4.5544 4.6011 5.5577 5.6455 9.9976 10.0139 10.2460 10.3597 11.2702 11.5258 11.8846 11.9511 12.2034 12.2831 13.2787 13.3695 14.9355 15.2090 15.2959 15.3438 16.8398 17.0537 17.9297 18.1741 18.3203 18.3285 20.0533 20.1034 k = 0.0000 0.0000 0.8406 ( 2064 PWs) bands (ev): -51.7684 -51.7684 -51.7596 -51.7596 -24.7206 -24.7146 -24.6856 -24.6828 -16.2051 -16.1621 -16.1182 -16.1114 -16.0847 -16.0142 -15.9425 -15.9022 4.6194 4.6669 5.5602 5.6411 9.9552 9.9769 10.2329 10.3396 11.2919 11.5732 11.8477 11.9317 12.1884 12.2678 13.2181 13.3083 14.8991 15.1574 15.3107 15.3686 16.9437 17.1539 18.0158 18.2507 18.3700 18.3804 20.0523 20.1069 k = 0.0000 0.0000 0.8602 ( 2064 PWs) bands (ev): -51.7679 -51.7679 -51.7594 -51.7594 -24.7212 -24.7152 -24.6876 -24.6847 -16.2075 -16.1673 -16.1222 -16.1163 -16.0833 -16.0145 -15.9460 -15.9055 4.6821 4.7300 5.5618 5.6358 9.9179 9.9452 10.2197 10.3188 11.3061 11.6034 11.8302 11.9234 12.1736 12.2515 13.1597 13.2493 14.8640 15.1077 15.3259 15.3945 17.0500 17.2568 18.0973 18.3144 18.4247 18.4464 20.0478 20.1077 k = 0.0000 0.0000 0.8797 ( 2064 PWs) bands (ev): -51.7674 -51.7674 -51.7593 -51.7593 -24.7217 -24.7157 -24.6895 -24.6865 -16.2101 -16.1724 -16.1263 -16.1211 -16.0816 -16.0144 -15.9496 -15.9088 4.7421 4.7903 5.5625 5.6297 9.8859 9.9190 10.2074 10.2987 11.3096 11.6026 11.8429 11.9267 12.1599 12.2343 13.1042 13.1932 14.8308 15.0605 15.3411 15.4208 17.1583 17.3621 18.1745 18.3691 18.4837 18.5218 20.0401 20.1060 k = 0.0000 0.0000 0.8993 ( 2070 PWs) bands (ev): -51.7670 -51.7670 -51.7592 -51.7592 -24.7223 -24.7163 -24.6915 -24.6884 -16.2126 -16.1773 -16.1305 -16.1257 -16.0798 -16.0143 -15.9531 -15.9121 4.7995 4.8476 5.5622 5.6228 9.8591 9.8984 10.1969 10.2805 11.3016 11.5753 11.8768 11.9399 12.1501 12.2169 13.0524 13.1407 14.8001 15.0162 15.3560 15.4470 17.2684 17.4695 18.2480 18.4206 18.5457 18.6006 20.0297 20.1024 k = 0.0000 0.0000 0.9188 ( 2070 PWs) bands (ev): -51.7665 -51.7665 -51.7591 -51.7591 -24.7227 -24.7168 -24.6933 -24.6902 -16.2151 -16.1821 -16.1345 -16.1302 -16.0778 -16.0138 -15.9566 -15.9155 4.8540 4.9018 5.5610 5.6152 9.8376 9.8835 10.1886 10.2650 11.2831 11.5347 11.9107 11.9579 12.1503 12.2016 13.0048 13.0924 14.7724 14.9751 15.3702 15.4725 17.3799 17.5788 18.3184 18.4720 18.6097 18.6791 20.0172 20.0975 k = 0.0000 0.0000 0.9384 ( 2074 PWs) bands (ev): -51.7661 -51.7661 -51.7590 -51.7590 -24.7232 -24.7173 -24.6952 -24.6919 -16.2175 -16.1867 -16.1385 -16.1346 -16.0757 -16.0133 -15.9601 -15.9188 4.9056 4.9527 5.5589 5.6070 9.8214 9.8743 10.1832 10.2527 11.2560 11.4885 11.9271 11.9725 12.1688 12.1934 12.9622 13.0489 14.7482 14.9376 15.3831 15.4967 17.4925 17.6896 18.3867 18.5246 18.6745 18.7557 20.0033 20.0921 k = 0.0000 0.0000 0.9579 ( 2074 PWs) bands (ev): -51.7656 -51.7656 -51.7589 -51.7589 -24.7236 -24.7177 -24.6970 -24.6936 -16.2198 -16.1911 -16.1423 -16.1387 -16.0734 -16.0125 -15.9636 -15.9221 4.9542 5.0004 5.5560 5.5982 9.8104 9.8707 10.1810 10.2440 11.2225 11.4399 11.9200 11.9737 12.1991 12.2075 12.9250 13.0105 14.7278 14.9040 15.3943 15.5189 17.6061 17.8016 18.4536 18.5788 18.7393 18.8300 19.9893 20.0872 k = 0.0000 0.0000 0.9775 ( 2078 PWs) bands (ev): -51.7652 -51.7652 -51.7588 -51.7588 -24.7239 -24.7181 -24.6988 -24.6953 -16.2221 -16.1955 -16.1461 -16.1427 -16.0711 -16.0116 -15.9672 -15.9254 4.9998 5.0447 5.5523 5.5890 9.8045 9.8726 10.1822 10.2391 11.1845 11.3901 11.8943 11.9562 12.2216 12.2590 12.8934 12.9773 14.7118 14.8744 15.4032 15.5384 17.7202 17.9145 18.5198 18.6348 18.8036 18.9019 19.9762 20.0839 k = 0.0000 0.0000 0.9970 ( 2076 PWs) bands (ev): -51.7648 -51.7648 -51.7588 -51.7588 -24.7242 -24.7184 -24.7005 -24.6969 -16.2243 -16.1995 -16.1496 -16.1464 -16.0687 -16.0104 -15.9706 -15.9286 5.0424 5.0857 5.5478 5.5793 9.8035 9.8798 10.1870 10.2382 11.1435 11.3399 11.8563 11.9225 12.2565 12.3158 12.8677 12.9491 14.7002 14.8490 15.4093 15.5546 17.8346 18.0280 18.5855 18.6924 18.8674 18.9717 19.9656 20.0833 k = 0.0000 0.0000 1.0166 ( 2076 PWs) bands (ev): -51.7644 -51.7644 -51.7587 -51.7587 -24.7244 -24.7186 -24.7021 -24.6985 -16.2264 -16.2034 -16.1529 -16.1500 -16.0662 -16.0092 -15.9741 -15.9319 5.0819 5.1234 5.5426 5.5693 9.8074 9.8922 10.1955 10.2413 11.1006 11.2897 11.8099 11.8776 12.2979 12.3734 12.8476 12.9256 14.6934 14.8280 15.4120 15.5666 17.9491 18.1419 18.6511 18.7514 18.9309 19.0401 19.9586 20.0864 k = 0.0000 0.0000 1.0361 ( 2078 PWs) bands (ev): -51.7639 -51.7639 -51.7587 -51.7587 -24.7245 -24.7189 -24.7037 -24.7000 -16.2283 -16.2072 -16.1561 -16.1534 -16.0637 -16.0078 -15.9776 -15.9351 5.1185 5.1580 5.5367 5.5591 9.8158 9.9093 10.2076 10.2482 11.0566 11.2396 11.7572 11.8249 12.3420 12.4294 12.8328 12.9063 14.6915 14.8115 15.4110 15.5739 18.0633 18.2557 18.7169 18.8117 18.9944 19.1080 19.9564 20.0941 k = 0.0000 0.0000 1.0557 ( 2078 PWs) bands (ev): -51.7636 -51.7636 -51.7586 -51.7586 -24.7246 -24.7190 -24.7053 -24.7015 -16.2301 -16.2107 -16.1591 -16.1565 -16.0611 -16.0062 -15.9810 -15.9384 5.1523 5.1895 5.5302 5.5487 9.8285 9.9310 10.2234 10.2588 11.0121 11.1898 11.6997 11.7667 12.3865 12.4825 12.8228 12.8906 14.6947 14.7995 15.4058 15.5759 18.1770 18.3692 18.7830 18.8730 19.0585 19.1760 19.9603 20.1073 k = 0.0000 0.0000 1.0752 ( 2072 PWs) bands (ev): -51.7632 -51.7632 -51.7586 -51.7586 -24.7246 -24.7190 -24.7067 -24.7028 -16.2318 -16.2140 -16.1618 -16.1595 -16.0585 -16.0045 -15.9844 -15.9415 5.1835 5.2182 5.5232 5.5382 9.8453 9.9568 10.2427 10.2728 10.9680 11.1405 11.6384 11.7043 12.4299 12.5319 12.8172 12.8778 14.7029 14.7920 15.3962 15.5721 18.2899 18.4821 18.8500 18.9352 19.1235 19.2450 19.9708 20.1263 k = 0.0000 0.0000 1.0948 ( 2068 PWs) bands (ev): -51.7628 -51.7628 -51.7586 -51.7586 -24.7246 -24.7190 -24.7081 -24.7041 -16.2332 -16.2172 -16.1643 -16.1622 -16.0558 -16.0027 -15.9877 -15.9446 5.2120 5.2442 5.5157 5.5276 9.8658 9.9863 10.2653 10.2896 10.9248 11.0919 11.5743 11.6391 12.4716 12.5770 12.8152 12.8673 14.7162 14.7890 15.3821 15.5623 18.4017 18.5940 18.9180 18.9984 19.1893 19.3156 19.9886 20.1515 k = 0.0000 0.0000 1.1143 ( 2068 PWs) bands (ev): -51.7624 -51.7624 -51.7587 -51.7587 -24.7245 -24.7190 -24.7095 -24.7054 -16.2346 -16.2201 -16.1666 -16.1647 -16.0531 -16.0008 -15.9911 -15.9478 5.2382 5.2677 5.5078 5.5170 9.8899 10.0192 10.2911 10.3085 10.8833 11.0441 11.5081 11.5717 12.5111 12.6178 12.8161 12.8585 14.7344 14.7904 15.3633 15.5462 18.5123 18.7046 18.9874 19.0625 19.2560 19.3878 20.0137 20.1820 k = 0.0000 0.0000 1.1339 ( 2060 PWs) bands (ev): -51.7621 -51.7621 -51.7586 -51.7586 -24.7242 -24.7188 -24.7108 -24.7067 -16.2358 -16.2227 -16.1688 -16.1670 -16.0502 -15.9988 -15.9944 -15.9508 5.2622 5.2889 5.4994 5.5065 9.9171 10.0550 10.3197 10.3284 10.8448 10.9973 11.4406 11.5031 12.5481 12.6541 12.8192 12.8508 14.7575 14.7963 15.3402 15.5241 18.6212 18.8135 19.0583 19.1276 19.3228 19.4614 20.0465 20.1848 k = 0.0000 0.0000 1.1534 ( 2068 PWs) bands (ev): -51.7618 -51.7618 -51.7587 -51.7587 -24.7241 -24.7187 -24.7122 -24.7080 -16.2368 -16.2253 -16.1707 -16.1691 -16.0474 -15.9979 -15.9968 -15.9540 5.2841 5.3081 5.4907 5.4960 9.9472 10.0933 10.3475 10.3503 10.8107 10.9521 11.3724 11.4339 12.5824 12.6862 12.8238 12.8437 14.7852 14.8064 15.3129 15.4960 18.7284 18.9203 19.1305 19.1937 19.3887 19.5356 20.0867 20.1332 k = 0.0000 0.0000 1.1730 ( 2076 PWs) bands (ev): -51.7615 -51.7615 -51.7588 -51.7588 -24.7239 -24.7186 -24.7135 -24.7092 -16.2377 -16.2277 -16.1725 -16.1711 -16.0447 -16.0012 -15.9946 -15.9571 5.3042 5.3255 5.4817 5.4857 9.9797 10.1336 10.3636 10.3822 10.7836 10.9093 11.3042 11.3646 12.6141 12.7143 12.8290 12.8369 14.8173 14.8207 15.2821 15.4625 18.8336 19.0247 19.2038 19.2605 19.4524 19.6086 20.0762 20.1335 k = 0.0000 0.0000 1.1925 ( 2076 PWs) bands (ev): -51.7612 -51.7612 -51.7589 -51.7589 -24.7236 -24.7184 -24.7146 -24.7102 -16.2383 -16.2299 -16.1739 -16.1727 -16.0418 -16.0045 -15.9924 -15.9601 5.3227 5.3413 5.4723 5.4754 10.0145 10.1754 10.3735 10.4139 10.7662 10.8701 11.2364 11.2958 12.6432 12.7389 12.8299 12.8341 14.8391 14.8535 15.2482 15.4241 18.9366 19.1262 19.2774 19.3277 19.5118 19.6778 20.0167 20.1448 k = 0.0000 0.0000 1.2121 ( 2080 PWs) bands (ev): -51.7609 -51.7609 -51.7590 -51.7590 -24.7232 -24.7181 -24.7158 -24.7114 -16.2388 -16.2318 -16.1752 -16.1742 -16.0389 -16.0079 -15.9901 -15.9632 5.3397 5.3557 5.4627 5.4653 10.0511 10.2184 10.3743 10.4429 10.7617 10.8368 11.1696 11.2280 12.6697 12.7603 12.8223 12.8382 14.8612 14.8935 15.2119 15.3815 19.0369 19.2243 19.3497 19.3944 19.5641 19.7391 19.9554 20.0872 k = 0.0000 0.0000 1.2316 ( 2080 PWs) bands (ev): -51.7607 -51.7607 -51.7591 -51.7591 -24.7228 -24.7177 -24.7168 -24.7123 -16.2391 -16.2334 -16.1761 -16.1753 -16.0359 -16.0112 -15.9876 -15.9661 5.3555 5.3690 5.4527 5.4552 10.0891 10.2618 10.3642 10.4655 10.7715 10.8130 11.1045 11.1617 12.6938 12.7790 12.8140 12.8407 14.8869 14.9367 15.1739 15.3355 19.1342 19.3182 19.4185 19.4596 19.6058 19.7866 19.8939 20.0274 k = 0.0000 0.0000 1.2512 ( 2088 PWs) bands (ev): -51.7604 -51.7604 -51.7593 -51.7593 -24.7224 -24.7179 -24.7173 -24.7133 -16.2392 -16.2350 -16.1769 -16.1763 -16.0331 -16.0144 -15.9853 -15.9690 5.3702 5.3814 5.4424 5.4452 10.1281 10.3051 10.3440 10.4766 10.7948 10.8038 11.0417 11.0974 12.7156 12.7951 12.8046 12.8413 14.9158 14.9829 15.1348 15.2868 19.2278 19.4069 19.4791 19.5208 19.6333 19.8144 19.8351 19.9667 k = 0.0000 0.0000 1.2707 ( 2088 PWs) bands (ev): -51.7602 -51.7602 -51.7595 -51.7595 -24.7218 -24.7188 -24.7168 -24.7141 -16.2390 -16.2362 -16.1774 -16.1770 -16.0301 -16.0176 -15.9827 -15.9719 5.3839 5.3931 5.4317 5.4352 10.1677 10.3160 10.3475 10.4725 10.8125 10.8293 10.9822 11.0355 12.7351 12.7940 12.8088 12.8397 14.9477 15.0313 15.0955 15.2363 19.3166 19.4882 19.5193 19.5736 19.6491 19.7838 19.8208 19.9081 k = 0.0000 0.0000 1.2903 ( 2090 PWs) bands (ev): -51.7600 -51.7600 -51.7596 -51.7596 -24.7211 -24.7196 -24.7163 -24.7149 -16.2386 -16.2372 -16.1777 -16.1775 -16.0270 -16.0208 -15.9801 -15.9747 5.3968 5.4041 5.4206 5.4250 10.2071 10.2826 10.3878 10.4537 10.8387 10.8724 10.9270 10.9768 12.7526 12.7819 12.8201 12.8356 14.9820 15.0565 15.0815 15.1847 19.3985 19.5160 19.5572 19.6069 19.6708 19.7420 19.8161 19.8572 k = 0.0000 0.0000 1.3098 ( 2082 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7203 -24.7203 -24.7155 -24.7155 -16.2380 -16.2380 -16.1776 -16.1776 -16.0239 -16.0239 -15.9774 -15.9774 5.4090 5.4090 5.4147 5.4147 10.2458 10.2458 10.4241 10.4241 10.8783 10.8783 10.9221 10.9221 12.7681 12.7681 12.8291 12.8291 15.0185 15.0185 15.1329 15.1329 19.4689 19.4689 19.6025 19.6025 19.7048 19.7048 19.8238 19.8238 k = 0.0000 0.0000 1.3098 ( 2082 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7203 -24.7203 -24.7155 -24.7155 -16.2380 -16.2380 -16.1776 -16.1776 -16.0239 -16.0239 -15.9774 -15.9774 5.4090 5.4090 5.4147 5.4147 10.2458 10.2458 10.4241 10.4241 10.8783 10.8783 10.9221 10.9221 12.7681 12.7681 12.8291 12.8291 15.0185 15.0185 15.1329 15.1329 19.4689 19.4689 19.6025 19.6025 19.7048 19.7048 19.8238 19.8238 k =-0.0071 0.0172 1.3098 ( 2086 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7203 -24.7203 -24.7155 -24.7155 -16.2379 -16.2379 -16.1775 -16.1775 -16.0239 -16.0239 -15.9774 -15.9774 5.4084 5.4084 5.4148 5.4148 10.2445 10.2445 10.4223 10.4223 10.8772 10.8772 10.9265 10.9265 12.7688 12.7688 12.8298 12.8298 15.0178 15.0178 15.1322 15.1322 19.4571 19.4571 19.5997 19.5997 19.6970 19.6970 19.8270 19.8270 k =-0.0142 0.0344 1.3098 ( 2084 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7202 -24.7202 -24.7154 -24.7154 -16.2376 -16.2376 -16.1773 -16.1773 -16.0238 -16.0238 -15.9773 -15.9773 5.4067 5.4067 5.4149 5.4149 10.2406 10.2406 10.4170 10.4170 10.8758 10.8758 10.9380 10.9380 12.7709 12.7709 12.8319 12.8319 15.0157 15.0157 15.1301 15.1301 19.4261 19.4261 19.5851 19.5851 19.6815 19.6815 19.8314 19.8314 k =-0.0213 0.0516 1.3098 ( 2084 PWs) bands (ev): -51.7599 -51.7599 -51.7599 -51.7599 -24.7201 -24.7201 -24.7153 -24.7153 -16.2372 -16.2372 -16.1767 -16.1767 -16.0237 -16.0237 -15.9771 -15.9771 5.4043 5.4043 5.4148 5.4148 10.2345 10.2345 10.4085 10.4085 10.8759 10.8759 10.9540 10.9540 12.7743 12.7743 12.8354 12.8354 15.0123 15.0123 15.1266 15.1266 19.3826 19.3826 19.5517 19.5517 19.6664 19.6664 19.8292 19.8292 k =-0.0284 0.0688 1.3098 ( 2084 PWs) bands (ev): -51.7599 -51.7599 -51.7599 -51.7599 -24.7199 -24.7199 -24.7151 -24.7151 -16.2365 -16.2365 -16.1759 -16.1759 -16.0236 -16.0236 -15.9769 -15.9769 5.4012 5.4012 5.4142 5.4142 10.2263 10.2263 10.3972 10.3972 10.8786 10.8786 10.9730 10.9730 12.7790 12.7790 12.8402 12.8402 15.0076 15.0076 15.1218 15.1218 19.3315 19.3315 19.5039 19.5039 19.6495 19.6495 19.8161 19.8161 k =-0.0355 0.0860 1.3098 ( 2080 PWs) bands (ev): -51.7600 -51.7600 -51.7600 -51.7600 -24.7196 -24.7196 -24.7148 -24.7148 -16.2356 -16.2356 -16.1749 -16.1749 -16.0235 -16.0235 -15.9766 -15.9766 5.3975 5.3975 5.4130 5.4130 10.2166 10.2166 10.3838 10.3838 10.8841 10.8841 10.9938 10.9938 12.7847 12.7847 12.8463 12.8463 15.0015 15.0015 15.1156 15.1156 19.2755 19.2755 19.4482 19.4482 19.6268 19.6268 19.7912 19.7912 k =-0.0426 0.1033 1.3098 ( 2082 PWs) bands (ev): -51.7600 -51.7600 -51.7600 -51.7600 -24.7193 -24.7193 -24.7145 -24.7145 -16.2346 -16.2346 -16.1737 -16.1737 -16.0234 -16.0234 -15.9763 -15.9763 5.3931 5.3931 5.4111 5.4111 10.2058 10.2058 10.3689 10.3689 10.8922 10.8922 11.0159 11.0159 12.7913 12.7913 12.8537 12.8537 14.9942 14.9942 15.1080 15.1080 19.2165 19.2165 19.3885 19.3885 19.5977 19.5977 19.7560 19.7560 k =-0.0426 0.1033 1.3098 ( 2082 PWs) bands (ev): -51.7600 -51.7600 -51.7600 -51.7600 -24.7193 -24.7193 -24.7145 -24.7145 -16.2346 -16.2346 -16.1737 -16.1737 -16.0234 -16.0234 -15.9763 -15.9763 5.3931 5.3931 5.4111 5.4111 10.2058 10.2058 10.3689 10.3689 10.8922 10.8922 11.0159 11.0159 12.7913 12.7913 12.8537 12.8537 14.9942 14.9942 15.1080 15.1080 19.2165 19.2165 19.3885 19.3885 19.5977 19.5977 19.7560 19.7560 k =-0.0478 0.1158 1.2962 ( 2090 PWs) bands (ev): -51.7603 -51.7603 -51.7600 -51.7600 -24.7196 -24.7186 -24.7147 -24.7138 -16.2342 -16.2333 -16.1728 -16.1727 -16.0254 -16.0211 -15.9780 -15.9742 5.3844 5.3909 5.4079 5.4139 10.1666 10.2275 10.3244 10.3898 10.8643 10.9366 10.9974 11.0696 12.7889 12.8034 12.8544 12.8644 14.9641 15.0127 15.0693 15.1344 19.1336 19.1880 19.3230 19.3796 19.5442 19.5934 19.7038 19.7521 k =-0.0530 0.1284 1.2826 ( 2088 PWs) bands (ev): -51.7605 -51.7605 -51.7600 -51.7600 -24.7197 -24.7177 -24.7148 -24.7129 -16.2336 -16.2317 -16.1716 -16.1713 -16.0274 -16.0188 -15.9794 -15.9720 5.3746 5.3843 5.4078 5.4168 10.1260 10.2440 10.2830 10.4115 10.8387 10.9709 10.9940 11.1247 12.7869 12.8143 12.8551 12.8749 14.9348 15.0302 15.0323 15.1588 19.0416 19.1236 19.2846 19.3737 19.4851 19.5706 19.6612 19.7503 k =-0.0582 0.1410 1.2690 ( 2092 PWs) bands (ev): -51.7607 -51.7607 -51.7600 -51.7600 -24.7199 -24.7168 -24.7150 -24.7121 -16.2329 -16.2301 -16.1702 -16.1698 -16.0294 -16.0166 -15.9807 -15.9697 5.3641 5.3762 5.4081 5.4190 10.0843 10.2168 10.2842 10.4342 10.8151 10.9590 11.0404 11.1807 12.7853 12.8241 12.8560 12.8853 14.9065 14.9969 15.0468 15.1809 18.9462 19.0378 19.2581 19.3650 19.4268 19.5273 19.6379 19.7482 k =-0.0634 0.1536 1.2554 ( 2090 PWs) bands (ev): -51.7609 -51.7609 -51.7600 -51.7600 -24.7200 -24.7158 -24.7149 -24.7111 -16.2319 -16.2282 -16.1685 -16.1680 -16.0313 -16.0143 -15.9819 -15.9674 5.3533 5.3675 5.4078 5.4205 10.0419 10.1676 10.3073 10.4577 10.7935 10.9433 11.0932 11.2371 12.7840 12.8332 12.8572 12.8956 14.8791 14.9641 15.0618 15.2005 18.8500 18.9454 19.2264 19.3457 19.3763 19.4832 19.6235 19.7447 k =-0.0686 0.1662 1.2418 ( 2082 PWs) bands (ev): -51.7612 -51.7612 -51.7599 -51.7599 -24.7199 -24.7151 -24.7145 -24.7100 -16.2308 -16.2261 -16.1665 -16.1659 -16.0332 -16.0121 -15.9828 -15.9649 5.3422 5.3588 5.4066 5.4210 9.9991 10.1158 10.3331 10.4822 10.7736 10.9277 11.1477 11.2937 12.7828 12.8418 12.8590 12.9058 14.8529 14.9342 15.0752 15.2173 18.7545 18.8522 19.1843 19.2985 19.3498 19.4521 19.6099 19.7390 k =-0.0738 0.1788 1.2281 ( 2085 PWs) bands (ev): -51.7614 -51.7614 -51.7600 -51.7600 -24.7199 -24.7149 -24.7136 -24.7091 -16.2296 -16.2241 -16.1645 -16.1638 -16.0351 -16.0102 -15.9834 -15.9624 5.3308 5.3500 5.4043 5.4205 9.9561 10.0633 10.3600 10.5074 10.7556 10.9124 11.2033 11.3502 12.7816 12.8505 12.8617 12.9160 14.8278 14.9076 15.0865 15.2310 18.6606 18.7605 19.1341 19.2386 19.3339 19.4327 19.5946 19.7307 k =-0.0790 0.1913 1.2145 ( 2083 PWs) bands (ev): -51.7617 -51.7617 -51.7600 -51.7600 -24.7197 -24.7147 -24.7125 -24.7080 -16.2284 -16.2219 -16.1622 -16.1614 -16.0368 -16.0085 -15.9837 -15.9598 5.3192 5.3413 5.4010 5.4190 9.9131 10.0106 10.3875 10.5330 10.7398 10.8972 11.2597 11.4062 12.7801 12.8588 12.8660 12.9266 14.8041 14.8842 15.0956 15.2415 18.5689 18.6713 19.0808 19.1777 19.3202 19.4188 19.5771 19.7197 k =-0.0842 0.2039 1.2009 ( 2081 PWs) bands (ev): -51.7620 -51.7620 -51.7600 -51.7600 -24.7195 -24.7144 -24.7114 -24.7069 -16.2270 -16.2196 -16.1597 -16.1588 -16.0385 -16.0071 -15.9834 -15.9571 5.3074 5.3326 5.3966 5.4164 9.8701 9.9578 10.4149 10.5587 10.7267 10.8823 11.3165 11.4617 12.7786 12.8652 12.8739 12.9377 14.7821 14.8642 15.1024 15.2487 18.4798 18.5854 19.0282 19.1199 19.3065 19.4061 19.5574 19.7057 k =-0.0894 0.2165 1.1873 ( 2081 PWs) bands (ev): -51.7623 -51.7623 -51.7601 -51.7601 -24.7193 -24.7142 -24.7102 -24.7058 -16.2257 -16.2173 -16.1570 -16.1561 -16.0402 -16.0061 -15.9826 -15.9543 5.2953 5.3241 5.3911 5.4128 9.8272 9.9052 10.4414 10.5836 10.7176 10.8678 11.3736 11.5166 12.7771 12.8703 12.8850 12.9496 14.7621 14.8474 15.1067 15.2524 18.3937 18.5028 18.9784 19.0670 19.2912 19.3925 19.5356 19.6887 k =-0.0946 0.2291 1.1737 ( 2082 PWs) bands (ev): -51.7626 -51.7626 -51.7602 -51.7602 -24.7190 -24.7139 -24.7090 -24.7046 -16.2243 -16.2151 -16.1541 -16.1532 -16.0418 -16.0055 -15.9811 -15.9515 5.2832 5.3157 5.3846 5.4081 9.7844 9.8529 10.4653 10.6063 10.7147 10.8540 11.4308 11.5708 12.7757 12.8753 12.8980 12.9628 14.7443 14.8335 15.1083 15.2527 18.3106 18.4238 18.9332 19.0203 19.2732 19.3766 19.5125 19.6689 k =-0.0998 0.2417 1.1601 ( 2084 PWs) bands (ev): -51.7629 -51.7629 -51.7602 -51.7602 -24.7187 -24.7136 -24.7078 -24.7034 -16.2229 -16.2129 -16.1511 -16.1502 -16.0434 -16.0054 -15.9791 -15.9485 5.2708 5.3073 5.3771 5.4023 9.7416 9.8009 10.4843 10.6256 10.7203 10.8419 11.4879 11.6242 12.7748 12.8807 12.9125 12.9776 14.7290 14.8224 15.1072 15.2497 18.2307 18.3482 18.8935 18.9803 19.2513 19.3574 19.4888 19.6465 k =-0.1050 0.2543 1.1465 ( 2086 PWs) bands (ev): -51.7633 -51.7633 -51.7603 -51.7603 -24.7184 -24.7132 -24.7066 -24.7022 -16.2215 -16.2107 -16.1480 -16.1471 -16.0448 -16.0055 -15.9766 -15.9455 5.2584 5.2991 5.3685 5.3955 9.6990 9.7493 10.4959 10.6417 10.7346 10.8337 11.5450 11.6768 12.7747 12.8866 12.9283 12.9942 14.7164 14.8137 15.1035 15.2436 18.1540 18.2759 18.8605 18.9475 19.2244 19.3340 19.4654 19.6219 k =-0.1102 0.2668 1.1328 ( 2080 PWs) bands (ev): -51.7636 -51.7636 -51.7604 -51.7604 -24.7178 -24.7127 -24.7053 -24.7009 -16.2201 -16.2084 -16.1446 -16.1438 -16.0460 -16.0058 -15.9736 -15.9423 5.2459 5.2910 5.3591 5.3877 9.6563 9.6983 10.4985 10.6552 10.7543 10.8331 11.6018 11.7288 12.7756 12.8931 12.9452 13.0127 14.7063 14.8072 15.0973 15.2348 18.0803 18.2066 18.8349 18.9219 19.1919 19.3054 19.4433 19.5958 k =-0.1154 0.2794 1.1192 ( 2082 PWs) bands (ev): -51.7639 -51.7639 -51.7605 -51.7605 -24.7174 -24.7123 -24.7040 -24.6997 -16.2187 -16.2063 -16.1412 -16.1405 -16.0472 -16.0063 -15.9704 -15.9391 5.2333 5.2831 5.3487 5.3790 9.6133 9.6479 10.4930 10.6634 10.7767 10.8446 11.6584 11.7800 12.7779 12.9004 12.9632 13.0330 14.6989 14.8025 15.0888 15.2236 18.0096 18.1401 18.8171 18.9031 19.1533 19.2709 19.4230 19.5689 k =-0.1206 0.2920 1.1056 ( 2080 PWs) bands (ev): -51.7643 -51.7643 -51.7606 -51.7606 -24.7169 -24.7118 -24.7027 -24.6983 -16.2174 -16.2043 -16.1376 -16.1371 -16.0482 -16.0068 -15.9669 -15.9357 5.2206 5.2752 5.3375 5.3693 9.5699 9.5986 10.4814 10.6622 10.8037 10.8684 11.7147 11.8308 12.7818 12.9088 12.9822 13.0550 14.6939 14.7993 15.0782 15.2106 17.9417 18.0763 18.8075 18.8904 19.1093 19.2298 19.4045 19.5418 k =-0.1258 0.3046 1.0920 ( 2076 PWs) bands (ev): -51.7646 -51.7646 -51.7607 -51.7607 -24.7163 -24.7112 -24.7014 -24.6970 -16.2162 -16.2024 -16.1340 -16.1336 -16.0490 -16.0072 -15.9631 -15.9322 5.2079 5.2675 5.3255 5.3589 9.5256 9.5507 10.4657 10.6515 10.8373 10.9005 11.7706 11.8810 12.7876 12.9185 13.0021 13.0782 14.6911 14.7969 15.0660 15.1965 17.8766 18.0151 18.8061 18.8821 19.0616 19.1819 19.3878 19.5153 k =-0.1310 0.3172 1.0784 ( 2076 PWs) bands (ev): -51.7649 -51.7649 -51.7609 -51.7609 -24.7157 -24.7107 -24.7001 -24.6957 -16.2151 -16.2006 -16.1304 -16.1302 -16.0497 -16.0077 -15.9592 -15.9287 5.1952 5.2599 5.3128 5.3476 9.4801 9.5046 10.4469 10.6340 10.8768 10.9375 11.8261 11.9308 12.7954 12.9299 13.0228 13.1024 14.6900 14.7948 15.0526 15.1823 17.8142 17.9564 18.8126 18.8732 19.0151 19.1272 19.3725 19.4897 k =-0.1362 0.3298 1.0648 ( 2078 PWs) bands (ev): -51.7653 -51.7653 -51.7610 -51.7610 -24.7152 -24.7102 -24.6988 -24.6945 -16.2141 -16.1990 -16.1270 -16.1266 -16.0502 -16.0081 -15.9551 -15.9252 5.1824 5.2524 5.2994 5.3357 9.4335 9.4603 10.4261 10.6121 10.9208 10.9779 11.8812 11.9804 12.8055 12.9431 13.0441 13.1270 14.6901 14.7923 15.0387 15.1690 17.7542 17.9000 18.8258 18.8526 18.9816 19.0665 19.3583 19.4655 k =-0.1414 0.3423 1.0512 ( 2080 PWs) bands (ev): -51.7656 -51.7656 -51.7612 -51.7612 -24.7146 -24.7096 -24.6975 -24.6932 -16.2131 -16.1975 -16.1238 -16.1230 -16.0504 -16.0084 -15.9510 -15.9216 5.1696 5.2451 5.2854 5.3233 9.3863 9.4174 10.4036 10.5872 10.9682 11.0208 11.9356 12.0297 12.8180 12.9585 13.0659 13.1517 14.6907 14.7885 15.0250 15.1578 17.6968 17.8461 18.8043 18.8489 18.9697 19.0038 19.3451 19.4427 k =-0.1466 0.3549 1.0375 ( 2077 PWs) bands (ev): -51.7660 -51.7660 -51.7613 -51.7613 -24.7140 -24.7090 -24.6962 -24.6918 -16.2123 -16.1960 -16.1207 -16.1194 -16.0503 -16.0085 -15.9466 -15.9178 5.1569 5.2379 5.2710 5.3104 9.3391 9.3754 10.3799 10.5601 11.0184 11.0658 11.9895 12.0790 12.8330 12.9761 13.0879 13.1762 14.6909 14.7825 15.0127 15.1500 17.6416 17.7947 18.7406 18.8693 18.9287 18.9901 19.3329 19.4216 k =-0.1518 0.3675 1.0239 ( 2071 PWs) bands (ev): -51.7663 -51.7663 -51.7614 -51.7614 -24.7132 -24.7083 -24.6949 -24.6905 -16.2115 -16.1947 -16.1178 -16.1159 -16.0498 -16.0085 -15.9423 -15.9141 5.1442 5.2308 5.2561 5.2972 9.2922 9.3342 10.3552 10.5313 11.0709 11.1126 12.0426 12.1281 12.8505 12.9961 13.1101 13.2000 14.6896 14.7735 15.0027 15.1465 17.5887 17.7456 18.6667 18.8331 18.9222 19.0100 19.3221 19.4024 k =-0.1570 0.3801 1.0103 ( 2065 PWs) bands (ev): -51.7666 -51.7666 -51.7615 -51.7615 -24.7125 -24.7077 -24.6936 -24.6892 -16.2108 -16.1935 -16.1151 -16.1124 -16.0491 -16.0083 -15.9378 -15.9103 5.1315 5.2238 5.2409 5.2838 9.2459 9.2936 10.3298 10.5011 11.1254 11.1610 12.0948 12.1772 12.8706 13.0186 13.1320 13.2230 14.6859 14.7608 14.9964 15.1483 17.5379 17.6987 18.5870 18.7552 18.9570 19.0363 19.3134 19.3853 k =-0.1622 0.3927 0.9967 ( 2067 PWs) bands (ev): -51.7669 -51.7669 -51.7617 -51.7617 -24.7119 -24.7071 -24.6924 -24.6880 -16.2102 -16.1925 -16.1127 -16.1092 -16.0481 -16.0080 -15.9334 -15.9065 5.1190 5.2167 5.2256 5.2704 9.2004 9.2536 10.3039 10.4700 11.1816 11.2111 12.1460 12.2261 12.8931 13.0434 13.1536 13.2449 14.6787 14.7443 14.9948 15.1554 17.4890 17.6539 18.5039 18.6712 18.9976 19.0642 19.3083 19.3711 k =-0.1674 0.4053 0.9831 ( 2069 PWs) bands (ev): -51.7673 -51.7673 -51.7619 -51.7619 -24.7113 -24.7066 -24.6912 -24.6868 -16.2098 -16.1916 -16.1106 -16.1062 -16.0467 -16.0075 -15.9290 -15.9028 5.1065 5.2073 5.2125 5.2570 9.1560 9.2144 10.2778 10.4382 11.2392 11.2626 12.1960 12.2748 12.9180 13.0704 13.1746 13.2655 14.6678 14.7240 14.9986 15.1679 17.4416 17.6108 18.4189 18.5851 19.0390 19.0899 19.3090 19.3611 k =-0.1726 0.4179 0.9695 ( 2067 PWs) bands (ev): -51.7676 -51.7676 -51.7620 -51.7620 -24.7107 -24.7060 -24.6899 -24.6855 -16.2094 -16.1908 -16.1089 -16.1034 -16.0450 -16.0068 -15.9245 -15.8990 5.0942 5.1925 5.2048 5.2438 9.1126 9.1760 10.2515 10.4059 11.2980 11.3156 12.2446 12.3230 12.9451 13.0995 13.1949 13.2848 14.6532 14.7003 15.0078 15.1855 17.3955 17.5689 18.3335 18.4985 19.0767 19.1101 19.3182 19.3572 k =-0.1778 0.4304 0.9558 ( 2065 PWs) bands (ev): -51.7679 -51.7679 -51.7622 -51.7622 -24.7100 -24.7054 -24.6888 -24.6843 -16.2091 -16.1901 -16.1074 -16.1008 -16.0430 -16.0059 -15.9202 -15.8953 5.0822 5.1766 5.1982 5.2310 9.0706 9.1385 10.2253 10.3733 11.3574 11.3703 12.2918 12.3704 12.9743 13.1304 13.2146 13.3028 14.6352 14.6738 15.0222 15.2075 17.3500 17.5274 18.2491 18.4129 19.1014 19.1264 19.3369 19.3625 k =-0.1830 0.4430 0.9422 ( 2071 PWs) bands (ev): -51.7682 -51.7682 -51.7623 -51.7623 -24.7094 -24.7049 -24.6878 -24.6833 -16.2089 -16.1896 -16.1062 -16.0984 -16.0408 -16.0049 -15.9160 -15.8918 5.0703 5.1606 5.1918 5.2187 9.0300 9.1020 10.1995 10.3407 11.4165 11.4274 12.3371 12.4166 13.0053 13.1626 13.2334 13.3196 14.6146 14.6452 15.0413 15.2334 17.3044 17.4851 18.1675 18.3300 19.1063 19.1412 19.3633 19.3776 k =-0.1882 0.4556 0.9286 ( 2073 PWs) bands (ev): -51.7685 -51.7685 -51.7625 -51.7625 -24.7088 -24.7043 -24.6868 -24.6823 -16.2088 -16.1891 -16.1053 -16.0963 -16.0383 -16.0037 -15.9118 -15.8883 5.0587 5.1446 5.1855 5.2071 8.9909 9.0666 10.1741 10.3084 11.4743 11.4874 12.3805 12.4611 13.0378 13.1958 13.2518 13.3353 14.5918 14.6150 15.0644 15.2629 17.2576 17.4407 18.0908 18.2518 19.0997 19.1474 19.3941 19.3976 k =-0.1934 0.4682 0.9150 ( 2073 PWs) bands (ev): -51.7688 -51.7688 -51.7626 -51.7626 -24.7082 -24.7038 -24.6857 -24.6813 -16.2087 -16.1887 -16.1046 -16.0943 -16.0357 -16.0023 -15.9078 -15.8848 5.0475 5.1288 5.1790 5.1965 8.9536 9.0326 10.1495 10.2765 11.5315 11.5494 12.4215 12.5032 13.0718 13.2292 13.2698 13.3503 14.5673 14.5838 15.0913 15.2955 17.2086 17.3923 18.0212 18.1802 19.0869 19.1439 19.4067 19.4302 k =-0.1986 0.4808 0.9014 ( 2073 PWs) bands (ev): -51.7690 -51.7690 -51.7627 -51.7627 -24.7076 -24.7033 -24.6848 -24.6803 -16.2086 -16.1884 -16.1041 -16.0926 -16.0330 -16.0008 -15.9038 -15.8815 5.0367 5.1133 5.1721 5.1872 8.9180 9.0000 10.1257 10.2452 11.5884 11.6124 12.4598 12.5422 13.1069 13.2619 13.2885 13.3647 14.5414 14.5519 15.1216 15.3309 17.1560 17.3382 17.9607 18.1174 19.0701 19.1330 19.4008 19.4600 k =-0.2038 0.4934 0.8878 ( 2073 PWs) bands (ev): -51.7693 -51.7693 -51.7629 -51.7629 -24.7071 -24.7028 -24.6838 -24.6793 -16.2086 -16.1882 -16.1038 -16.0912 -16.0302 -15.9992 -15.9001 -15.8783 5.0264 5.0981 5.1645 5.1794 8.8844 8.9690 10.1031 10.2149 11.6454 11.6759 12.4949 12.5774 13.1428 13.2911 13.3103 13.3789 14.5137 14.5203 15.1552 15.3690 17.0986 17.2771 17.9110 18.0652 19.0500 19.1169 19.3768 19.4763 k =-0.2090 0.5059 0.8742 ( 2073 PWs) bands (ev): -51.7695 -51.7695 -51.7630 -51.7630 -24.7065 -24.7023 -24.6830 -24.6785 -16.2087 -16.1880 -16.1036 -16.0899 -16.0275 -15.9976 -15.8965 -15.8753 5.0167 5.0835 5.1566 5.1730 8.8528 8.9397 10.0817 10.1856 11.7022 11.7396 12.5264 12.6079 13.1793 13.3141 13.3379 13.3932 14.4830 14.4907 15.1922 15.4096 17.0353 17.2085 17.8730 18.0249 19.0265 19.0966 19.3387 19.4688 k =-0.2142 0.5185 0.8605 ( 2071 PWs) bands (ev): -51.7697 -51.7697 -51.7631 -51.7631 -24.7060 -24.7019 -24.6821 -24.6776 -16.2087 -16.1878 -16.1035 -16.0888 -16.0248 -15.9960 -15.8931 -15.8724 5.0076 5.0694 5.1486 5.1677 8.8234 8.9122 10.0617 10.1576 11.7585 11.8030 12.5537 12.6330 13.2160 13.3342 13.3679 13.4079 14.4503 14.4624 15.2325 15.4528 16.9659 17.1329 17.8469 17.9972 18.9988 19.0730 19.2916 19.4397 k =-0.2193 0.5311 0.8469 ( 2073 PWs) bands (ev): -51.7699 -51.7699 -51.7632 -51.7632 -24.7055 -24.7014 -24.6815 -24.6769 -16.2088 -16.1877 -16.1035 -16.0879 -16.0222 -15.9943 -15.8900 -15.8698 4.9992 5.0560 5.1409 5.1631 8.7961 8.8867 10.0433 10.1310 11.8141 11.8659 12.5763 12.6522 13.2523 13.3547 13.3974 13.4234 14.4170 14.4344 15.2764 15.4985 16.8904 17.0512 17.8319 17.9815 18.9657 19.0463 19.2402 19.4038 k =-0.2245 0.5437 0.8333 ( 2075 PWs) bands (ev): -51.7701 -51.7701 -51.7633 -51.7633 -24.7051 -24.7011 -24.6808 -24.6762 -16.2089 -16.1877 -16.1035 -16.0871 -16.0198 -15.9928 -15.8871 -15.8673 4.9916 5.0433 5.1338 5.1591 8.7713 8.8633 10.0266 10.1060 11.8685 11.9280 12.5939 12.6648 13.2875 13.3767 13.4251 13.4397 14.3837 14.4065 15.3239 15.5470 16.8097 16.9650 17.8273 17.9768 18.9261 19.0166 19.1892 19.3697 k =-0.2297 0.5563 0.8197 ( 2075 PWs) bands (ev): -51.7703 -51.7703 -51.7634 -51.7634 -24.7047 -24.7008 -24.6802 -24.6756 -16.2090 -16.1876 -16.1035 -16.0865 -16.0176 -15.9913 -15.8845 -15.8651 4.9848 5.0315 5.1273 5.1555 8.7488 8.8421 10.0118 10.0828 11.9214 11.9888 12.6064 12.6709 13.3205 13.4008 13.4507 13.4570 14.3505 14.3788 15.3751 15.5983 16.7249 16.8756 17.8321 17.9815 18.8804 18.9827 19.1427 19.3402 k =-0.2349 0.5689 0.8061 ( 2081 PWs) bands (ev): -51.7704 -51.7704 -51.7635 -51.7635 -24.7045 -24.7006 -24.6796 -24.6750 -16.2092 -16.1876 -16.1037 -16.0860 -16.0156 -15.9900 -15.8821 -15.8631 4.9789 5.0207 5.1216 5.1524 8.7288 8.8231 9.9990 10.0615 11.9720 12.0481 12.6137 12.6705 13.3500 13.4270 13.4739 13.4756 14.3178 14.3518 15.4300 15.6526 16.6373 16.7844 17.8451 17.9936 18.8299 18.9433 19.1041 19.3157 k =-0.2401 0.5814 0.7925 ( 2079 PWs) bands (ev): -51.7705 -51.7705 -51.7636 -51.7636 -24.7042 -24.7003 -24.6791 -24.6745 -16.2093 -16.1876 -16.1037 -16.0856 -16.0138 -15.9887 -15.8800 -15.8613 4.9740 5.0108 5.1165 5.1497 8.7113 8.8064 9.9882 10.0422 12.0198 12.1051 12.6162 12.6641 13.3755 13.4540 13.4941 13.4961 14.2860 14.3258 15.4883 15.7099 16.5483 16.6926 17.8649 18.0111 18.7772 18.8986 19.0742 19.2960 k =-0.2453 0.5940 0.7788 ( 2081 PWs) bands (ev): -51.7707 -51.7707 -51.7636 -51.7636 -24.7040 -24.7002 -24.6787 -24.6741 -16.2094 -16.1876 -16.1039 -16.0852 -16.0122 -15.9876 -15.8782 -15.8598 4.9700 5.0021 5.1122 5.1474 8.6964 8.7922 9.9796 10.0250 12.0640 12.1593 12.6147 12.6524 13.3966 13.4796 13.5110 13.5191 14.2559 14.3016 15.5497 15.7703 16.4595 16.6012 17.8902 18.0315 18.7253 18.8505 19.0520 19.2806 k =-0.2505 0.6066 0.7652 ( 2085 PWs) bands (ev): -51.7707 -51.7707 -51.7637 -51.7637 -24.7038 -24.7001 -24.6784 -24.6738 -16.2095 -16.1877 -16.1040 -16.0850 -16.0110 -15.9867 -15.8767 -15.8585 4.9670 4.9946 5.1087 5.1456 8.6842 8.7805 9.9732 10.0101 12.1033 12.2097 12.6100 12.6365 13.4136 13.5017 13.5250 13.5435 14.2282 14.2798 15.6132 15.8333 16.3727 16.5113 17.9191 18.0522 18.6776 18.8021 19.0357 19.2689 k =-0.2557 0.6192 0.7516 ( 2079 PWs) bands (ev): -51.7708 -51.7708 -51.7637 -51.7637 -24.7036 -24.6999 -24.6780 -24.6734 -16.2095 -16.1876 -16.1040 -16.0848 -16.0099 -15.9859 -15.8755 -15.8575 4.9649 4.9884 5.1059 5.1441 8.6746 8.7714 9.9690 9.9976 12.1366 12.2546 12.6035 12.6183 13.4266 13.5195 13.5359 13.5670 14.2043 14.2615 15.6772 15.8982 16.2905 16.4244 17.9494 18.0700 18.6376 18.7568 19.0240 19.2604 k =-0.2609 0.6318 0.7380 ( 2075 PWs) bands (ev): -51.7708 -51.7708 -51.7638 -51.7638 -24.7034 -24.6997 -24.6778 -24.6732 -16.2095 -16.1876 -16.1040 -16.0846 -16.0091 -15.9854 -15.8746 -15.8568 4.9636 4.9837 5.1040 5.1431 8.6678 8.7648 9.9670 9.9876 12.1622 12.2918 12.5958 12.6013 13.4358 13.5330 13.5436 13.5865 14.1855 14.2475 15.7378 15.9625 16.2179 16.3427 17.9779 18.0823 18.6084 18.7184 19.0161 19.2548 k =-0.2661 0.6444 0.7244 ( 2075 PWs) bands (ev): -51.7709 -51.7709 -51.7638 -51.7638 -24.7033 -24.6996 -24.6777 -24.6731 -16.2096 -16.1876 -16.1040 -16.0845 -16.0086 -15.9850 -15.8741 -15.8564 4.9630 4.9807 5.1028 5.1425 8.6637 8.7609 9.9669 9.9805 12.1785 12.3173 12.5845 12.5935 13.4413 13.5416 13.5480 13.5995 14.1734 14.2386 15.7863 16.0177 16.1660 16.2727 17.9997 18.0879 18.5914 18.6916 19.0115 19.2515 k =-0.2713 0.6570 0.7108 ( 2071 PWs) bands (ev): -51.7709 -51.7709 -51.7638 -51.7638 -24.7033 -24.6996 -24.6776 -24.6730 -16.2095 -16.1876 -16.1040 -16.0845 -16.0084 -15.9849 -15.8739 -15.8562 4.9628 4.9797 5.1024 5.1423 8.6623 8.7595 9.9673 9.9776 12.1841 12.3266 12.5792 12.5915 13.4431 13.5447 13.5493 13.6040 14.1692 14.2356 15.8065 16.0415 16.1503 16.2386 18.0082 18.0889 18.5861 18.6818 19.0100 19.2505 k =-0.2713 0.6570 0.7108 ( 2071 PWs) bands (ev): -51.7709 -51.7709 -51.7638 -51.7638 -24.7033 -24.6996 -24.6776 -24.6730 -16.2095 -16.1876 -16.1040 -16.0845 -16.0084 -15.9849 -15.8739 -15.8562 4.9628 4.9797 5.1024 5.1423 8.6623 8.7595 9.9673 9.9776 12.1841 12.3266 12.5792 12.5915 13.4431 13.5447 13.5493 13.6040 14.1692 14.2356 15.8065 16.0415 16.1503 16.2386 18.0082 18.0889 18.5861 18.6818 19.0100 19.2505 k =-0.2661 0.6443 0.6971 ( 2079 PWs) bands (ev): -51.7710 -51.7710 -51.7636 -51.7636 -24.7042 -24.7004 -24.6774 -24.6729 -16.2118 -16.1887 -16.1055 -16.0859 -16.0093 -15.9851 -15.8727 -15.8547 4.9648 5.0111 5.1363 5.1373 8.6500 8.7466 9.9522 9.9648 12.1215 12.2897 12.5651 12.5789 13.4929 13.5602 13.5922 13.6190 14.1532 14.2365 15.8145 16.0600 16.1287 16.1885 17.9661 18.0496 18.5995 18.7009 19.0861 19.2828 k =-0.2609 0.6317 0.6834 ( 2079 PWs) bands (ev): -51.7711 -51.7711 -51.7634 -51.7634 -24.7050 -24.7011 -24.6769 -24.6725 -16.2137 -16.1894 -16.1065 -16.0869 -16.0101 -15.9854 -15.8715 -15.8533 4.9550 5.0315 5.1335 5.1729 8.6483 8.7437 9.9397 9.9544 12.0583 12.2518 12.5534 12.5687 13.5198 13.5958 13.5982 13.6732 14.1406 14.2397 15.8145 16.0623 16.1158 16.1545 17.9238 18.0099 18.6091 18.7156 19.1523 19.2949 k =-0.2557 0.6191 0.6698 ( 2085 PWs) bands (ev): -51.7712 -51.7712 -51.7633 -51.7633 -24.7058 -24.7017 -24.6765 -24.6722 -16.2153 -16.1899 -16.1073 -16.0876 -16.0110 -15.9858 -15.8703 -15.8519 4.9350 5.0306 5.1412 5.2105 8.6568 8.7507 9.9299 9.9465 11.9949 12.2132 12.5442 12.5610 13.5318 13.5965 13.6503 13.7295 14.1321 14.2457 15.8044 16.0297 16.1130 16.1553 17.8815 17.9700 18.6171 18.7295 19.1988 19.2846 k =-0.2505 0.6064 0.6561 ( 2079 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7063 -24.7021 -24.6760 -24.6718 -16.2165 -16.1899 -16.1075 -16.0878 -16.0118 -15.9861 -15.8692 -15.8505 4.9061 5.0074 5.1615 5.2479 8.6750 8.7672 9.9229 9.9410 11.9319 12.1742 12.5375 12.5558 13.5405 13.5982 13.7039 13.7837 14.1286 14.2547 15.7847 15.9778 16.1203 16.1749 17.8393 17.9301 18.6249 18.7445 19.2211 19.2538 k =-0.2452 0.5938 0.6424 ( 2079 PWs) bands (ev): -51.7715 -51.7715 -51.7630 -51.7630 -24.7069 -24.7026 -24.6753 -24.6712 -16.2174 -16.1896 -16.1075 -16.0876 -16.0128 -15.9865 -15.8681 -15.8492 4.8694 4.9697 5.1872 5.2844 8.7021 8.7927 9.9188 9.9379 11.8698 12.1351 12.5333 12.5531 13.5492 13.6012 13.7547 13.8348 14.1310 14.2670 15.7574 15.9206 16.1354 16.1996 17.7973 17.8903 18.6330 18.7611 19.2064 19.2189 k =-0.2400 0.5811 0.6288 ( 2083 PWs) bands (ev): -51.7716 -51.7716 -51.7629 -51.7629 -24.7075 -24.7031 -24.6746 -24.6706 -16.2181 -16.1891 -16.1071 -16.0871 -16.0137 -15.9869 -15.8670 -15.8479 4.8257 4.9224 5.2139 5.3196 8.7374 8.8264 9.9176 9.9373 11.8090 12.0963 12.5315 12.5528 13.5587 13.6056 13.8007 13.8822 14.1403 14.2828 15.7248 15.8618 16.1560 16.2256 17.7557 17.8506 18.6417 18.7794 19.1467 19.1951 k =-0.2348 0.5685 0.6151 ( 2083 PWs) bands (ev): -51.7718 -51.7718 -51.7628 -51.7628 -24.7079 -24.7034 -24.6738 -24.6700 -16.2184 -16.1882 -16.1063 -16.0862 -16.0146 -15.9874 -15.8660 -15.8467 4.7756 4.8677 5.2398 5.3531 8.7797 8.8675 9.9198 9.9393 11.7502 12.0580 12.5322 12.5550 13.5694 13.6116 13.8404 13.9254 14.1573 14.3019 15.6895 15.8027 16.1800 16.2518 17.7146 17.8113 18.6505 18.7988 19.0791 19.1542 k =-0.2296 0.5559 0.6014 ( 2075 PWs) bands (ev): -51.7719 -51.7719 -51.7627 -51.7627 -24.7082 -24.7036 -24.6728 -24.6691 -16.2184 -16.1869 -16.1051 -16.0848 -16.0155 -15.9878 -15.8649 -15.8454 4.7200 4.8070 5.2643 5.3848 8.8281 8.9152 9.9256 9.9439 11.6939 12.0207 12.5354 12.5596 13.5815 13.6193 13.8734 13.9643 14.1817 14.3240 15.6530 15.7441 16.2060 16.2775 17.6743 17.7726 18.6580 18.8179 19.0075 19.1014 k =-0.2244 0.5432 0.5878 ( 2073 PWs) bands (ev): -51.7722 -51.7722 -51.7626 -51.7626 -24.7084 -24.7037 -24.6719 -24.6683 -16.2181 -16.1854 -16.1037 -16.0830 -16.0164 -15.9882 -15.8640 -15.8443 4.6594 4.7412 5.2871 5.4143 8.8812 8.9682 9.9353 9.9515 11.6405 11.9847 12.5409 12.5666 13.5950 13.6285 13.9004 13.9989 14.2124 14.3481 15.6167 15.6865 16.2328 16.3022 17.6346 17.7344 18.6607 18.8324 18.9375 19.0442 k =-0.2191 0.5306 0.5741 ( 2077 PWs) bands (ev): -51.7724 -51.7724 -51.7625 -51.7625 -24.7087 -24.7039 -24.6710 -24.6675 -16.2176 -16.1836 -16.1020 -16.0810 -16.0172 -15.9887 -15.8632 -15.8433 4.5946 4.6712 5.3080 5.4417 8.9376 9.0253 9.9496 9.9624 11.5905 11.9503 12.5487 12.5759 13.6100 13.6393 13.9226 14.0298 14.2473 14.3730 15.5819 15.6305 16.2597 16.3258 17.5959 17.6970 18.6511 18.8303 18.8780 18.9971 k =-0.2139 0.5180 0.5604 ( 2079 PWs) bands (ev): -51.7727 -51.7727 -51.7625 -51.7625 -24.7088 -24.7040 -24.6700 -24.6666 -16.2168 -16.1817 -16.0999 -16.0786 -16.0180 -15.9891 -15.8624 -15.8422 4.5262 4.5976 5.3267 5.4668 8.9959 9.0849 9.9691 9.9771 11.5445 11.9178 12.5589 12.5875 13.6265 13.6518 13.9418 14.0574 14.2841 14.3972 15.5495 15.5767 16.2864 16.3481 17.5584 17.6606 18.6183 18.7934 18.8411 18.9807 k =-0.2087 0.5053 0.5467 ( 2077 PWs) bands (ev): -51.7729 -51.7729 -51.7625 -51.7625 -24.7089 -24.7040 -24.6688 -24.6656 -16.2158 -16.1794 -16.0975 -16.0758 -16.0187 -15.9895 -15.8616 -15.8412 4.4547 4.5212 5.3434 5.4895 9.0545 9.1455 9.9946 9.9965 11.5030 11.8876 12.5712 12.6013 13.6445 13.6659 13.9591 14.0825 14.3205 14.4191 15.5204 15.5256 16.3123 16.3690 17.5221 17.6252 18.5602 18.7267 18.8294 18.9908 k =-0.2035 0.4927 0.5331 ( 2077 PWs) bands (ev): -51.7732 -51.7732 -51.7625 -51.7625 -24.7090 -24.7040 -24.6676 -24.6645 -16.2145 -16.1770 -16.0948 -16.0727 -16.0193 -15.9899 -15.8608 -15.8403 4.3807 4.4425 5.3579 5.5098 9.1116 9.2051 10.0216 10.0271 11.4665 11.8599 12.5857 12.6173 13.6640 13.6815 13.9757 14.1055 14.3547 14.4371 15.4777 15.4954 16.3373 16.3884 17.4872 17.5911 18.4873 18.6474 18.8328 19.0100 k =-0.1983 0.4801 0.5194 ( 2071 PWs) bands (ev): -51.7734 -51.7734 -51.7625 -51.7625 -24.7088 -24.7038 -24.6664 -24.6634 -16.2129 -16.1743 -16.0919 -16.0692 -16.0197 -15.9901 -15.8601 -15.8393 4.3047 4.3620 5.3703 5.5275 9.1656 9.2615 10.0538 10.0676 11.4354 11.8351 12.6024 12.6354 13.6848 13.6987 13.9921 14.1269 14.3850 14.4500 15.4337 15.4748 16.3611 16.4062 17.4539 17.5584 18.4085 18.5639 18.8417 19.0264 k =-0.1931 0.4674 0.5057 ( 2077 PWs) bands (ev): -51.7737 -51.7737 -51.7625 -51.7625 -24.7088 -24.7037 -24.6651 -24.6623 -16.2113 -16.1716 -16.0888 -16.0655 -16.0201 -15.9905 -15.8596 -15.8386 4.2272 4.2803 5.3805 5.5428 9.2149 9.3124 10.0943 10.1168 11.4101 11.8134 12.6210 12.6554 13.7070 13.7173 14.0085 14.1470 14.4100 14.4568 15.3939 15.4589 16.3836 16.4224 17.4224 17.5272 18.3288 18.4799 18.8497 19.0261 k =-0.1878 0.4548 0.4921 ( 2081 PWs) bands (ev): -51.7740 -51.7740 -51.7626 -51.7626 -24.7087 -24.7036 -24.6638 -24.6611 -16.2096 -16.1688 -16.0854 -16.0615 -16.0202 -15.9907 -15.8589 -15.8377 4.1486 4.1976 5.3885 5.5556 9.2584 9.3560 10.1446 10.1753 11.3910 11.7951 12.6415 12.6774 13.7305 13.7373 14.0251 14.1658 14.4287 14.4571 15.3589 15.4475 16.4049 16.4372 17.3927 17.4978 18.2509 18.3976 18.8515 18.9932 k =-0.1826 0.4422 0.4784 ( 2081 PWs) bands (ev): -51.7744 -51.7744 -51.7626 -51.7626 -24.7085 -24.7034 -24.6624 -24.6598 -16.2076 -16.1659 -16.0819 -16.0571 -16.0201 -15.9907 -15.8583 -15.8369 4.0692 4.1145 5.3946 5.5658 9.2953 9.3909 10.2055 10.2434 11.3782 11.7805 12.6638 12.7011 13.7552 13.7585 14.0418 14.1834 14.4403 14.4508 15.3287 15.4399 16.4249 16.4505 17.3652 17.4703 18.1766 18.3185 18.8411 18.9324 k =-0.1774 0.4295 0.4647 ( 2081 PWs) bands (ev): -51.7747 -51.7747 -51.7627 -51.7627 -24.7082 -24.7031 -24.6609 -24.6585 -16.2055 -16.1629 -16.0782 -16.0525 -16.0197 -15.9907 -15.8578 -15.8362 3.9895 4.0313 5.3986 5.5736 9.3253 9.4165 10.2769 10.3208 11.3720 11.7696 12.6878 12.7265 13.7809 13.7810 14.0585 14.1995 14.4384 14.4445 15.3032 15.4352 16.4437 16.4625 17.3398 17.4450 18.1071 18.2437 18.8150 18.8607 k =-0.1722 0.4169 0.4511 ( 2081 PWs) bands (ev): -51.7750 -51.7750 -51.7628 -51.7628 -24.7079 -24.7028 -24.6595 -24.6571 -16.2032 -16.1599 -16.0744 -16.0477 -16.0190 -15.9906 -15.8573 -15.8355 3.9098 3.9482 5.4007 5.5789 9.3487 9.4329 10.3583 10.4068 11.3725 11.7627 12.7135 12.7535 13.8044 13.8078 14.0748 14.2139 14.4207 14.4412 15.2818 15.4320 16.4613 16.4735 17.3169 17.4220 18.0435 18.1742 18.7753 18.7878 k =-0.1670 0.4043 0.4374 ( 2077 PWs) bands (ev): -51.7753 -51.7753 -51.7628 -51.7628 -24.7075 -24.7023 -24.6579 -24.6557 -16.2009 -16.1570 -16.0705 -16.0426 -16.0179 -15.9903 -15.8568 -15.8347 3.8302 3.8656 5.4009 5.5819 9.3658 9.4410 10.4487 10.5005 11.3795 11.7599 12.7405 12.7819 13.8287 13.8354 14.0906 14.2261 14.3986 14.4311 15.2637 15.4291 16.4781 16.4836 17.2966 17.4016 17.9866 18.1109 18.7183 18.7282 k =-0.1617 0.3916 0.4237 ( 2081 PWs) bands (ev): -51.7757 -51.7757 -51.7630 -51.7630 -24.7071 -24.7020 -24.6564 -24.6543 -16.1986 -16.1542 -16.0666 -16.0375 -16.0165 -15.9899 -15.8563 -15.8341 3.7511 3.7836 5.3994 5.5825 9.3772 9.4418 10.5466 10.6010 11.3931 11.7613 12.7689 12.8116 13.8539 13.8638 14.1054 14.2351 14.3738 14.4149 15.2476 15.4250 16.4928 16.4939 17.2789 17.3839 17.9371 18.0543 18.6544 18.6800 k =-0.1565 0.3790 0.4101 ( 2077 PWs) bands (ev): -51.7760 -51.7760 -51.7631 -51.7631 -24.7067 -24.7015 -24.6547 -24.6528 -16.1961 -16.1516 -16.0626 -16.0321 -16.0146 -15.9893 -15.8558 -15.8334 3.6728 3.7026 5.3962 5.5810 9.3835 9.4365 10.6509 10.7074 11.4130 11.7670 12.7985 12.8424 13.8796 13.8928 14.1189 14.2394 14.3485 14.3935 15.2324 15.4187 16.5017 16.5092 17.2640 17.3695 17.8954 18.0052 18.5977 18.6352 k =-0.1513 0.3664 0.3964 ( 2079 PWs) bands (ev): -51.7763 -51.7763 -51.7632 -51.7632 -24.7062 -24.7011 -24.6532 -24.6513 -16.1937 -16.1491 -16.0587 -16.0267 -16.0122 -15.9885 -15.8554 -15.8328 3.5954 3.6227 5.3915 5.5773 9.3855 9.4261 10.7602 10.8185 11.4391 11.7769 12.8291 12.8741 13.9058 13.9221 14.1306 14.2360 14.3261 14.3680 15.2168 15.4092 16.5102 16.5240 17.2522 17.3583 17.8620 17.9638 18.5491 18.5965 k =-0.1461 0.3537 0.3827 ( 2075 PWs) bands (ev): -51.7767 -51.7767 -51.7633 -51.7633 -24.7056 -24.7005 -24.6516 -24.6498 -16.1912 -16.1467 -16.0547 -16.0211 -16.0094 -15.9875 -15.8550 -15.8323 3.5191 3.5441 5.3855 5.5716 9.3836 9.4116 10.8734 10.9337 11.4713 11.7911 12.8606 12.9067 13.9322 13.9517 14.1404 14.2212 14.3107 14.3395 15.2000 15.3957 16.5187 16.5386 17.2436 17.3507 17.8370 17.9306 18.5094 18.5655 k =-0.1409 0.3411 0.3691 ( 2079 PWs) bands (ev): -51.7770 -51.7770 -51.7635 -51.7635 -24.7051 -24.7001 -24.6500 -24.6483 -16.1889 -16.1448 -16.0507 -16.0156 -16.0062 -15.9862 -15.8546 -15.8318 3.4442 3.4671 5.3781 5.5639 9.3782 9.3939 10.9893 11.0520 11.5094 11.8096 12.8928 12.9399 13.9586 13.9814 14.1478 14.1957 14.3022 14.3088 15.1811 15.3779 16.5274 16.5533 17.2383 17.3469 17.8205 17.9058 18.4788 18.5434 k =-0.1357 0.3285 0.3554 ( 2079 PWs) bands (ev): -51.7774 -51.7774 -51.7636 -51.7636 -24.7045 -24.6996 -24.6484 -24.6468 -16.1866 -16.1430 -16.0467 -16.0102 -16.0025 -15.9846 -15.8542 -15.8312 3.3708 3.3916 5.3695 5.5546 9.3700 9.3737 11.1069 11.1727 11.5534 11.8322 12.9256 12.9735 13.9846 14.0107 14.1525 14.1638 14.2769 14.2967 15.1596 15.3557 16.5367 16.5684 17.2365 17.3470 17.8125 17.8895 18.4574 18.5306 k =-0.1304 0.3158 0.3417 ( 2087 PWs) bands (ev): -51.7778 -51.7778 -51.7638 -51.7638 -24.7040 -24.6991 -24.6469 -24.6454 -16.1844 -16.1416 -16.0428 -16.0051 -15.9986 -15.9827 -15.8539 -15.8308 3.2990 3.3180 5.3600 5.5436 9.3517 9.3593 11.2247 11.2950 11.6038 11.8592 12.9587 13.0074 14.0100 14.0394 14.1287 14.1543 14.2447 14.2913 15.1354 15.3292 16.5466 16.5839 17.2383 17.3511 17.8128 17.8819 18.4451 18.5272 k =-0.1252 0.3032 0.3280 ( 2083 PWs) bands (ev): -51.7781 -51.7781 -51.7639 -51.7639 -24.7033 -24.6985 -24.6453 -24.6439 -16.1821 -16.1404 -16.0387 -16.0001 -15.9943 -15.9803 -15.8534 -15.8302 3.2290 3.2463 5.3496 5.5311 9.3283 9.3465 11.3410 11.4181 11.6613 11.8906 12.9921 13.0414 14.0338 14.0668 14.0927 14.1532 14.2131 14.2850 15.1082 15.2987 16.5576 16.6003 17.2440 17.3593 17.8214 17.8828 18.4414 18.5329 k =-0.1200 0.2906 0.3144 ( 2095 PWs) bands (ev): -51.7785 -51.7785 -51.7640 -51.7640 -24.7026 -24.6980 -24.6439 -24.6426 -16.1800 -16.1395 -16.0347 -15.9956 -15.9899 -15.9774 -15.8532 -15.8300 3.1609 3.1766 5.3385 5.5173 9.3041 9.3318 11.4533 11.5407 11.7275 11.9269 13.0255 13.0752 14.0464 14.0656 14.0906 14.1487 14.1846 14.2775 15.0783 15.2646 16.5699 16.6177 17.2535 17.3715 17.8381 17.8922 18.4457 18.5471 k =-0.1148 0.2779 0.3007 ( 2095 PWs) bands (ev): -51.7789 -51.7789 -51.7642 -51.7642 -24.7020 -24.6974 -24.6423 -24.6412 -16.1780 -16.1389 -16.0306 -15.9916 -15.9852 -15.9739 -15.8527 -15.8295 3.0949 3.1091 5.3268 5.5023 9.2795 9.3156 11.5586 11.6610 11.8046 11.9692 13.0587 13.1087 14.0150 14.0801 14.1034 14.1405 14.1680 14.2695 15.0461 15.2276 16.5836 16.6365 17.2672 17.3878 17.8626 17.9100 18.4572 18.5691 k =-0.1096 0.2653 0.2870 ( 2095 PWs) bands (ev): -51.7792 -51.7792 -51.7644 -51.7644 -24.7013 -24.6968 -24.6408 -24.6397 -16.1761 -16.1385 -16.0263 -15.9881 -15.9803 -15.9698 -15.8522 -15.8290 3.0310 3.0439 5.3147 5.4863 9.2547 9.2982 11.6542 11.7758 11.8944 12.0200 13.0916 13.1418 13.9786 14.0919 14.0961 14.1298 14.1749 14.2622 15.0117 15.1882 16.5992 16.6566 17.2849 17.4081 17.8947 17.9359 18.4750 18.5978 k =-0.1044 0.2527 0.2734 ( 2099 PWs) bands (ev): -51.7796 -51.7796 -51.7645 -51.7645 -24.7006 -24.6963 -24.6394 -24.6384 -16.1743 -16.1384 -16.0221 -15.9850 -15.9755 -15.9654 -15.8516 -15.8286 2.9695 2.9811 5.3023 5.4695 9.2301 9.2798 11.7397 11.8796 11.9963 12.0839 13.1240 13.1741 13.9423 14.0668 14.1066 14.1171 14.1947 14.2577 14.9758 15.1470 16.6167 16.6784 17.3069 17.4324 17.9340 17.9695 18.4977 18.6319 k =-0.0991 0.2400 0.2597 ( 2107 PWs) bands (ev): -51.7799 -51.7799 -51.7647 -51.7647 -24.6999 -24.6958 -24.6381 -24.6372 -16.1727 -16.1385 -16.0178 -15.9823 -15.9707 -15.9609 -15.8510 -15.8282 2.9103 2.9208 5.2897 5.4519 9.2059 9.2607 11.8175 11.9661 12.1072 12.1666 13.1558 13.2056 13.9069 14.0388 14.1021 14.1095 14.2173 14.2581 14.9386 15.1046 16.6362 16.7019 17.3329 17.4604 17.9801 18.0105 18.5244 18.6700 k =-0.0939 0.2274 0.2460 ( 2109 PWs) bands (ev): -51.7802 -51.7802 -51.7648 -51.7648 -24.6993 -24.6952 -24.6367 -24.6359 -16.1711 -16.1388 -16.0135 -15.9796 -15.9658 -15.9562 -15.8503 -15.8278 2.8536 2.8630 5.2772 5.4339 9.1823 9.2411 11.8904 12.0355 12.2234 12.2668 13.1867 13.2360 13.8724 14.0107 14.0852 14.1039 14.2399 14.2643 14.9007 15.0615 16.6580 16.7272 17.3630 17.4922 18.0326 18.0584 18.5537 18.7105 k =-0.0887 0.2148 0.2324 ( 2113 PWs) bands (ev): -51.7805 -51.7805 -51.7650 -51.7650 -24.6987 -24.6948 -24.6353 -24.6346 -16.1697 -16.1392 -16.0093 -15.9773 -15.9610 -15.9515 -15.8495 -15.8273 2.7994 2.8079 5.2647 5.4155 9.1596 9.2213 11.9601 12.0943 12.3422 12.3774 13.2167 13.2653 13.8391 13.9832 14.0671 14.0914 14.2616 14.2753 14.8626 15.0183 16.6822 16.7543 17.3972 17.5275 18.0909 18.1125 18.5844 18.7514 k =-0.0835 0.2021 0.2187 ( 2109 PWs) bands (ev): -51.7808 -51.7808 -51.7651 -51.7651 -24.6979 -24.6942 -24.6340 -24.6333 -16.1683 -16.1398 -16.0050 -15.9749 -15.9563 -15.9469 -15.8486 -15.8269 2.7479 2.7555 5.2526 5.3968 9.1378 9.2013 12.0280 12.1476 12.4613 12.4921 13.2455 13.2932 13.8073 13.9563 14.0485 14.0741 14.2820 14.2892 14.8246 14.9753 16.7087 16.7833 17.4352 17.5662 18.1544 18.1722 18.6153 18.7909 k =-0.0783 0.1895 0.2050 ( 2105 PWs) bands (ev): -51.7811 -51.7811 -51.7653 -51.7653 -24.6972 -24.6937 -24.6327 -24.6320 -16.1670 -16.1404 -16.0008 -15.9725 -15.9516 -15.9424 -15.8476 -15.8265 2.6992 2.7060 5.2408 5.3781 9.1171 9.1815 12.0943 12.1983 12.5794 12.6071 13.2732 13.3197 13.7770 13.9299 14.0303 14.0540 14.3009 14.3044 14.7872 14.9328 16.7376 16.8140 17.4769 17.6080 18.2221 18.2366 18.6452 18.8269 k =-0.0730 0.1769 0.1914 ( 2101 PWs) bands (ev): -51.7814 -51.7814 -51.7654 -51.7654 -24.6965 -24.6932 -24.6315 -24.6309 -16.1657 -16.1411 -15.9967 -15.9703 -15.9472 -15.9382 -15.8465 -15.8261 2.6533 2.6593 5.2295 5.3595 9.0977 9.1619 12.1591 12.2473 12.6950 12.7203 13.2995 13.3446 13.7485 13.9037 14.0136 14.0326 14.3182 14.3201 14.7506 14.8912 16.7688 16.8464 17.5219 17.6526 18.2933 18.3046 18.6731 18.8575 k =-0.0678 0.1642 0.1777 ( 2093 PWs) bands (ev): -51.7816 -51.7816 -51.7655 -51.7655 -24.6958 -24.6927 -24.6302 -24.6297 -16.1646 -16.1419 -15.9926 -15.9682 -15.9429 -15.9342 -15.8453 -15.8257 2.6102 2.6155 5.2188 5.3412 9.0795 9.1428 12.2224 12.2951 12.8071 12.8300 13.3243 13.3678 13.7220 13.8774 13.9995 14.0111 14.3335 14.3356 14.7153 14.8508 16.8020 16.8801 17.5699 17.6997 18.3666 18.3752 18.6983 18.8816 k =-0.0626 0.1516 0.1640 ( 2097 PWs) bands (ev): -51.7818 -51.7818 -51.7656 -51.7656 -24.6952 -24.6923 -24.6292 -24.6287 -16.1636 -16.1428 -15.9888 -15.9663 -15.9390 -15.9307 -15.8440 -15.8254 2.5701 2.5748 5.2089 5.3232 9.0628 9.1242 12.2839 12.3416 12.9143 12.9349 13.3476 13.3893 13.6979 13.8506 13.9892 13.9905 14.3468 14.3505 14.6815 14.8116 16.8371 16.9148 17.6206 17.7487 18.4406 18.4467 18.7205 18.8988 k =-0.0574 0.1390 0.1504 ( 2097 PWs) bands (ev): -51.7821 -51.7821 -51.7657 -51.7657 -24.6946 -24.6919 -24.6282 -24.6278 -16.1627 -16.1437 -15.9851 -15.9645 -15.9353 -15.9275 -15.8427 -15.8251 2.5329 2.5371 5.1998 5.3057 9.0475 9.1064 12.3431 12.3867 13.0153 13.0335 13.3693 13.4089 13.6764 13.8232 13.9719 13.9836 14.3580 14.3647 14.6496 14.7737 16.8736 16.9502 17.6734 17.7990 18.5130 18.5167 18.7406 18.9104 k =-0.0522 0.1263 0.1367 ( 2097 PWs) bands (ev): -51.7823 -51.7823 -51.7658 -51.7658 -24.6940 -24.6916 -24.6273 -24.6269 -16.1618 -16.1446 -15.9815 -15.9628 -15.9318 -15.9246 -15.8413 -15.8249 2.4988 2.5024 5.1916 5.2888 9.0337 9.0893 12.3997 12.4302 13.1084 13.1246 13.3895 13.4267 13.6581 13.7951 13.9562 13.9837 14.3667 14.3780 14.6200 14.7373 16.9114 16.9859 17.7278 17.8501 18.5807 18.5811 18.7616 18.9193 k =-0.0470 0.1137 0.1230 ( 2101 PWs) bands (ev): -51.7825 -51.7825 -51.7659 -51.7659 -24.6936 -24.6913 -24.6265 -24.6262 -16.1610 -16.1456 -15.9782 -15.9613 -15.9287 -15.9220 -15.8398 -15.8247 2.4679 2.4710 5.1844 5.2727 9.0214 9.0732 12.4530 12.4719 13.1918 13.2069 13.4081 13.4424 13.6433 13.7667 13.9448 13.9899 14.3727 14.3903 14.5931 14.7024 16.9496 17.0211 17.7831 17.9011 18.6326 18.6386 18.7896 18.9308 k =-0.0417 0.1011 0.1093 ( 2105 PWs) bands (ev): -51.7827 -51.7827 -51.7661 -51.7661 -24.6931 -24.6911 -24.6258 -24.6255 -16.1602 -16.1466 -15.9752 -15.9601 -15.9258 -15.9198 -15.8383 -15.8247 2.4400 2.4427 5.1784 5.2574 9.0108 9.0582 12.5026 12.5112 13.2634 13.2793 13.4253 13.4562 13.6323 13.7381 13.9391 14.0024 14.3759 14.4015 14.5694 14.6688 16.9878 17.0553 17.8386 17.9510 18.6638 18.6801 18.8317 18.9518 k =-0.0365 0.0884 0.0957 ( 2105 PWs) bands (ev): -51.7828 -51.7828 -51.7661 -51.7661 -24.6927 -24.6909 -24.6251 -24.6248 -16.1594 -16.1476 -15.9723 -15.9591 -15.9232 -15.9179 -15.8368 -15.8246 2.4154 2.4177 5.1735 5.2431 9.0018 9.0443 12.5478 12.5480 13.3214 13.3412 13.4414 13.4679 13.6251 13.7098 13.9407 14.0208 14.3761 14.4117 14.5492 14.6366 17.0252 17.0876 17.8933 17.9987 18.6763 18.7014 18.8859 18.9867 k =-0.0313 0.0758 0.0820 ( 2113 PWs) bands (ev): -51.7830 -51.7830 -51.7662 -51.7662 -24.6924 -24.6908 -24.6245 -24.6243 -16.1587 -16.1486 -15.9697 -15.9584 -15.9210 -15.9164 -15.8353 -15.8248 2.3940 2.3959 5.1698 5.2298 8.9944 9.0316 12.5817 12.5879 13.3652 13.3924 13.4565 13.4775 13.6207 13.6821 13.9507 14.0438 14.3737 14.4206 14.5327 14.6056 17.0609 17.1172 17.9463 18.0429 18.6776 18.7055 18.9447 19.0329 k =-0.0261 0.0632 0.0683 ( 2103 PWs) bands (ev): -51.7830 -51.7830 -51.7663 -51.7663 -24.6919 -24.6906 -24.6239 -24.6237 -16.1579 -16.1495 -15.9672 -15.9578 -15.9189 -15.9150 -15.8338 -15.8248 2.3758 2.3774 5.1674 5.2176 8.9886 9.0202 12.6121 12.6224 13.3966 13.4335 13.4706 13.4850 13.6178 13.6558 13.9689 14.0690 14.3697 14.4281 14.5200 14.5761 17.0944 17.1434 17.9965 18.0824 18.6734 18.6991 19.0029 19.0835 k =-0.0209 0.0505 0.0547 ( 2095 PWs) bands (ev): -51.7831 -51.7831 -51.7663 -51.7663 -24.6914 -24.6904 -24.6234 -24.6233 -16.1569 -16.1503 -15.9650 -15.9574 -15.9171 -15.9140 -15.8323 -15.8251 2.3610 2.3622 5.1663 5.2066 8.9846 9.0102 12.6386 12.6506 13.4189 13.4649 13.4831 13.4906 13.6146 13.6318 13.9939 14.0928 14.3660 14.4334 14.5104 14.5484 17.1245 17.1653 18.0424 18.1153 18.6669 18.6879 19.0575 19.1321 k =-0.0157 0.0379 0.0410 ( 2093 PWs) bands (ev): -51.7832 -51.7832 -51.7663 -51.7663 -24.6911 -24.6904 -24.6231 -24.6230 -16.1562 -16.1512 -15.9630 -15.9574 -15.9157 -15.9134 -15.8309 -15.8256 2.3494 2.3503 5.1665 5.1969 8.9821 9.0015 12.6606 12.6722 13.4361 13.4846 13.4935 13.4968 13.6101 13.6114 14.0228 14.1109 14.3658 14.4354 14.5032 14.5239 17.1503 17.1819 18.0827 18.1403 18.6603 18.6759 19.1068 19.1734 k =-0.0104 0.0253 0.0273 ( 2095 PWs) bands (ev): -51.7832 -51.7832 -51.7664 -51.7664 -24.6909 -24.6904 -24.6228 -24.6227 -16.1554 -16.1521 -15.9614 -15.9577 -15.9145 -15.9130 -15.8297 -15.8261 2.3412 2.3418 5.1681 5.1884 8.9814 8.9944 12.6778 12.6868 13.4507 13.4879 13.5020 13.5078 13.5969 13.6042 14.0525 14.1194 14.3716 14.4314 14.4979 14.5052 17.1712 17.1927 18.1160 18.1560 18.6552 18.6653 19.1494 19.2023 k =-0.0052 0.0126 0.0137 ( 2095 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6907 -24.6905 -24.6227 -24.6226 -16.1546 -16.1530 -15.9600 -15.9582 -15.9137 -15.9130 -15.8286 -15.8268 2.3363 2.3366 5.1711 5.1813 8.9822 8.9888 12.6895 12.6944 13.4638 13.4837 13.5086 13.5137 13.5906 13.5977 14.0800 14.1161 14.3843 14.4193 14.4943 14.4953 17.1862 17.1971 18.1410 18.1615 18.6525 18.6575 19.1837 19.2139 k = 0.0000 0.0000 0.0000 ( 2099 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6906 -24.6906 -24.6226 -24.6226 -16.1539 -16.1539 -15.9590 -15.9590 -15.9132 -15.9132 -15.8277 -15.8277 2.3348 2.3348 5.1755 5.1755 8.9847 8.9847 12.6952 12.6952 13.4753 13.4753 13.5131 13.5131 13.5921 13.5921 14.1021 14.1021 14.4017 14.4017 14.4928 14.4928 17.1949 17.1949 18.1564 18.1564 18.6532 18.6532 19.2066 19.2066 k = 0.0000 0.0000 0.0000 ( 2099 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6906 -24.6906 -24.6226 -24.6226 -16.1539 -16.1539 -15.9590 -15.9590 -15.9132 -15.9132 -15.8277 -15.8277 2.3348 2.3348 5.1755 5.1755 8.9847 8.9847 12.6952 12.6952 13.4753 13.4753 13.5131 13.5131 13.5921 13.5921 14.1021 14.1021 14.4017 14.4017 14.4928 14.4928 17.1949 17.1949 18.1564 18.1564 18.6532 18.6532 19.2066 19.2066 k = 0.0179 0.0074 0.0000 ( 2091 PWs) bands (ev): -51.7833 -51.7833 -51.7664 -51.7664 -24.6905 -24.6905 -24.6226 -24.6226 -16.1536 -16.1536 -15.9590 -15.9590 -15.9132 -15.9132 -15.8278 -15.8278 2.3364 2.3364 5.1714 5.1714 8.9899 8.9899 12.6937 12.6937 13.4732 13.4732 13.5106 13.5106 13.5899 13.5899 14.1005 14.1005 14.4050 14.4050 14.4956 14.4956 17.1956 17.1956 18.1554 18.1554 18.6585 18.6585 19.2001 19.2001 k = 0.0357 0.0148 0.0000 ( 2095 PWs) bands (ev): -51.7832 -51.7832 -51.7664 -51.7664 -24.6903 -24.6903 -24.6229 -24.6229 -16.1529 -16.1529 -15.9591 -15.9591 -15.9132 -15.9132 -15.8285 -15.8285 2.3410 2.3410 5.1592 5.1592 9.0055 9.0055 12.6892 12.6892 13.4672 13.4672 13.5031 13.5031 13.5832 13.5832 14.0954 14.0954 14.4148 14.4148 14.5039 14.5039 17.1975 17.1975 18.1524 18.1524 18.6742 18.6742 19.1811 19.1811 k = 0.0536 0.0221 0.0000 ( 2103 PWs) bands (ev): -51.7832 -51.7832 -51.7666 -51.7666 -24.6902 -24.6902 -24.6231 -24.6231 -16.1521 -16.1521 -15.9593 -15.9593 -15.9132 -15.9132 -15.8295 -15.8295 2.3488 2.3488 5.1390 5.1390 9.0312 9.0312 12.6817 12.6817 13.4573 13.4573 13.4911 13.4911 13.5723 13.5723 14.0867 14.0867 14.4306 14.4306 14.5174 14.5174 17.2006 17.2006 18.1475 18.1475 18.7001 18.7001 19.1519 19.1519 k = 0.0714 0.0295 0.0000 ( 2115 PWs) bands (ev): -51.7831 -51.7831 -51.7667 -51.7667 -24.6900 -24.6900 -24.6236 -24.6236 -16.1508 -16.1508 -15.9597 -15.9597 -15.9133 -15.9133 -15.8310 -15.8310 2.3597 2.3597 5.1113 5.1113 9.0667 9.0667 12.6715 12.6715 13.4440 13.4440 13.4751 13.4751 13.5574 13.5574 14.0743 14.0743 14.4517 14.4517 14.5357 14.5357 17.2050 17.2050 18.1406 18.1406 18.7359 18.7359 19.1153 19.1153 k = 0.0893 0.0369 0.0000 ( 2111 PWs) bands (ev): -51.7830 -51.7830 -51.7668 -51.7668 -24.6895 -24.6895 -24.6240 -24.6240 -16.1489 -16.1489 -15.9600 -15.9600 -15.9133 -15.9133 -15.8326 -15.8326 2.3736 2.3736 5.0765 5.0765 9.1116 9.1116 12.6586 12.6586 13.4278 13.4278 13.4558 13.4558 13.5389 13.5389 14.0579 14.0579 14.4776 14.4776 14.5582 14.5582 17.2106 17.2106 18.1320 18.1320 18.7809 18.7809 19.0746 19.0746 k = 0.1071 0.0443 0.0000 ( 2103 PWs) bands (ev): -51.7828 -51.7828 -51.7669 -51.7669 -24.6889 -24.6889 -24.6245 -24.6245 -16.1465 -16.1465 -15.9603 -15.9603 -15.9132 -15.9132 -15.8346 -15.8346 2.3907 2.3907 5.0350 5.0350 9.1653 9.1653 12.6431 12.6431 13.4092 13.4092 13.4339 13.4339 13.5170 13.5170 14.0371 14.0371 14.5075 14.5075 14.5844 14.5844 17.2175 17.2175 18.1217 18.1217 18.8346 18.8346 19.0328 19.0328 k = 0.1250 0.0516 0.0000 ( 2107 PWs) bands (ev): -51.7827 -51.7827 -51.7671 -51.7671 -24.6882 -24.6882 -24.6253 -24.6253 -16.1439 -16.1439 -15.9608 -15.9608 -15.9133 -15.9133 -15.8371 -15.8371 2.4107 2.4107 4.9875 4.9875 9.2273 9.2273 12.6253 12.6253 13.3885 13.3885 13.4100 13.4100 13.4922 13.4922 14.0115 14.0115 14.5406 14.5406 14.6137 14.6137 17.2256 17.2256 18.1097 18.1097 18.8960 18.8960 18.9925 18.9925 k = 0.1429 0.0590 0.0000 ( 2107 PWs) bands (ev): -51.7825 -51.7825 -51.7673 -51.7673 -24.6874 -24.6874 -24.6261 -24.6261 -16.1408 -16.1408 -15.9614 -15.9614 -15.9133 -15.9133 -15.8399 -15.8399 2.4338 2.4338 4.9345 4.9345 9.2969 9.2969 12.6052 12.6052 13.3664 13.3664 13.3846 13.3846 13.4650 13.4650 13.9810 13.9810 14.5762 14.5762 14.6455 14.6455 17.2349 17.2349 18.0961 18.0961 18.9561 18.9561 18.9639 18.9639 k = 0.1607 0.0664 0.0000 ( 2107 PWs) bands (ev): -51.7823 -51.7823 -51.7675 -51.7675 -24.6865 -24.6865 -24.6270 -24.6270 -16.1374 -16.1374 -15.9621 -15.9621 -15.9132 -15.9132 -15.8430 -15.8430 2.4599 2.4599 4.8767 4.8767 9.3735 9.3735 12.5831 12.5831 13.3433 13.3433 13.3585 13.3585 13.4357 13.4357 13.9453 13.9453 14.6138 14.6138 14.6791 14.6791 17.2453 17.2453 18.0811 18.0811 18.9253 18.9253 19.0364 19.0364 k = 0.1786 0.0738 0.0000 ( 2099 PWs) bands (ev): -51.7820 -51.7820 -51.7677 -51.7677 -24.6855 -24.6855 -24.6279 -24.6279 -16.1335 -16.1335 -15.9629 -15.9629 -15.9132 -15.9132 -15.8462 -15.8462 2.4889 2.4889 4.8146 4.8146 9.4566 9.4566 12.5589 12.5589 13.3196 13.3196 13.3319 13.3319 13.4049 13.4049 13.9044 13.9044 14.6527 14.6527 14.7142 14.7142 17.2568 17.2568 18.0646 18.0646 18.9015 18.9015 19.1102 19.1102 k = 0.1964 0.0811 0.0000 ( 2103 PWs) bands (ev): -51.7817 -51.7817 -51.7680 -51.7680 -24.6845 -24.6845 -24.6289 -24.6289 -16.1294 -16.1294 -15.9639 -15.9639 -15.9131 -15.9131 -15.8497 -15.8497 2.5209 2.5209 4.7488 4.7488 9.5454 9.5454 12.5327 12.5327 13.2956 13.2956 13.3053 13.3053 13.3729 13.3729 13.8582 13.8582 14.6924 14.6924 14.7502 14.7502 17.2695 17.2695 18.0467 18.0467 18.8856 18.8856 19.1759 19.1759 k = 0.2143 0.0885 0.0000 ( 2107 PWs) bands (ev): -51.7815 -51.7815 -51.7683 -51.7683 -24.6834 -24.6834 -24.6301 -24.6301 -16.1250 -16.1250 -15.9651 -15.9651 -15.9130 -15.9130 -15.8535 -15.8535 2.5557 2.5557 4.6799 4.6799 9.6395 9.6395 12.5045 12.5045 13.2716 13.2716 13.2790 13.2790 13.3403 13.3403 13.8069 13.8069 14.7325 14.7325 14.7866 14.7866 17.2833 17.2833 18.0276 18.0276 18.8779 18.8779 19.2125 19.2125 k = 0.2321 0.0959 0.0000 ( 2099 PWs) bands (ev): -51.7811 -51.7811 -51.7686 -51.7686 -24.6822 -24.6822 -24.6312 -24.6312 -16.1202 -16.1202 -15.9664 -15.9664 -15.9128 -15.9128 -15.8573 -15.8573 2.5933 2.5933 4.6083 4.6083 9.7383 9.7383 12.4742 12.4742 13.2480 13.2480 13.2534 13.2534 13.3075 13.3075 13.7512 13.7512 14.7727 14.7727 14.8230 14.8230 17.2981 17.2981 18.0073 18.0073 18.8788 18.8788 19.2114 19.2114 k = 0.2500 0.1033 0.0000 ( 2095 PWs) bands (ev): -51.7808 -51.7808 -51.7689 -51.7689 -24.6809 -24.6809 -24.6324 -24.6324 -16.1151 -16.1151 -15.9680 -15.9680 -15.9127 -15.9127 -15.8613 -15.8613 2.6338 2.6338 4.5345 4.5345 9.8413 9.8413 12.4414 12.4414 13.2250 13.2250 13.2285 13.2285 13.2749 13.2749 13.6915 13.6915 14.8124 14.8124 14.8591 14.8591 17.3140 17.3140 17.9859 17.9859 18.8875 18.8875 19.1919 19.1919 k = 0.2679 0.1106 0.0000 ( 2095 PWs) bands (ev): -51.7804 -51.7804 -51.7693 -51.7693 -24.6795 -24.6795 -24.6338 -24.6338 -16.1097 -16.1097 -15.9698 -15.9698 -15.9126 -15.9126 -15.8653 -15.8653 2.6769 2.6769 4.4589 4.4589 9.9480 9.9480 12.4060 12.4060 13.2026 13.2026 13.2046 13.2046 13.2430 13.2430 13.6287 13.6287 14.8512 14.8512 14.8944 14.8944 17.3309 17.3309 17.9635 17.9635 18.9027 18.9027 19.1661 19.1661 k = 0.2857 0.1180 0.0000 ( 2095 PWs) bands (ev): -51.7801 -51.7801 -51.7696 -51.7696 -24.6780 -24.6780 -24.6353 -24.6353 -16.1040 -16.1040 -15.9719 -15.9719 -15.9124 -15.9124 -15.8694 -15.8694 2.7227 2.7227 4.3820 4.3820 10.0579 10.0579 12.3674 12.3674 13.1808 13.1808 13.1819 13.1819 13.2124 13.2124 13.5638 13.5638 14.8890 14.8890 14.9287 14.9287 17.3488 17.3488 17.9402 17.9402 18.9222 18.9222 19.1380 19.1380 k = 0.3036 0.1254 0.0000 ( 2103 PWs) bands (ev): -51.7797 -51.7797 -51.7700 -51.7700 -24.6765 -24.6765 -24.6369 -24.6369 -16.0982 -16.0982 -15.9744 -15.9744 -15.9122 -15.9122 -15.8736 -15.8736 2.7711 2.7711 4.3040 4.3040 10.1706 10.1706 12.3250 12.3250 13.1595 13.1595 13.1604 13.1604 13.1838 13.1838 13.4981 13.4981 14.9253 14.9253 14.9615 14.9615 17.3676 17.3676 17.9160 17.9160 18.9415 18.9415 19.1094 19.1094 k = 0.3214 0.1328 0.0000 ( 2103 PWs) bands (ev): -51.7793 -51.7793 -51.7704 -51.7704 -24.6749 -24.6749 -24.6385 -24.6385 -16.0920 -16.0920 -15.9771 -15.9771 -15.9119 -15.9119 -15.8776 -15.8776 2.8220 2.8220 4.2253 4.2253 10.2857 10.2857 12.2782 12.2782 13.1379 13.1379 13.1403 13.1403 13.1583 13.1583 13.4328 13.4328 14.9598 14.9598 14.9926 14.9926 17.3874 17.3874 17.8912 17.8912 18.9553 18.9553 19.0813 19.0813 k = 0.3393 0.1401 0.0000 ( 2102 PWs) bands (ev): -51.7789 -51.7789 -51.7708 -51.7708 -24.6732 -24.6732 -24.6402 -24.6402 -16.0857 -16.0857 -15.9803 -15.9803 -15.9116 -15.9116 -15.8814 -15.8814 2.8754 2.8754 4.1462 4.1462 10.4027 10.4027 12.2263 12.2263 13.1155 13.1155 13.1216 13.1216 13.1370 13.1370 13.3695 13.3695 14.9922 14.9922 15.0216 15.0216 17.4080 17.4080 17.8657 17.8657 18.9597 18.9597 19.0541 19.0541 k = 0.3571 0.1475 0.0000 ( 2094 PWs) bands (ev): -51.7785 -51.7785 -51.7712 -51.7712 -24.6714 -24.6714 -24.6419 -24.6419 -16.0791 -16.0791 -15.9837 -15.9837 -15.9112 -15.9112 -15.8849 -15.8849 2.9312 2.9312 4.0669 4.0669 10.5212 10.5212 12.1684 12.1684 13.0932 13.0932 13.1044 13.1044 13.1195 13.1195 13.3097 13.3097 15.0222 15.0222 15.0483 15.0483 17.4297 17.4297 17.8397 17.8397 18.9560 18.9560 19.0283 19.0283 k = 0.3750 0.1549 0.0000 ( 2070 PWs) bands (ev): -51.7780 -51.7780 -51.7716 -51.7716 -24.6695 -24.6695 -24.6432 -24.6432 -16.0724 -16.0724 -15.9874 -15.9874 -15.9105 -15.9105 -15.8880 -15.8880 2.9893 2.9893 3.9877 3.9877 10.6408 10.6408 12.1040 12.1040 13.0722 13.0722 13.0886 13.0886 13.1049 13.1049 13.2547 13.2547 15.0496 15.0496 15.0724 15.0724 17.4519 17.4519 17.8134 17.8134 18.9476 18.9476 19.0045 19.0045 k = 0.3929 0.1623 0.0000 ( 2062 PWs) bands (ev): -51.7775 -51.7775 -51.7720 -51.7720 -24.6676 -24.6676 -24.6449 -24.6449 -16.0656 -16.0656 -15.9917 -15.9917 -15.9099 -15.9099 -15.8911 -15.8911 3.0497 3.0497 3.9089 3.9089 10.7609 10.7609 12.0326 12.0326 13.0534 13.0534 13.0741 13.0741 13.0926 13.0926 13.2057 13.2057 15.0741 15.0741 15.0936 15.0936 17.4750 17.4750 17.7868 17.7868 18.9375 18.9375 18.9827 18.9827 k = 0.4107 0.1696 0.0000 ( 2066 PWs) bands (ev): -51.7771 -51.7771 -51.7724 -51.7724 -24.6659 -24.6659 -24.6468 -24.6468 -16.0589 -16.0589 -15.9965 -15.9965 -15.9093 -15.9093 -15.8940 -15.8940 3.1121 3.1121 3.8305 3.8305 10.8812 10.8812 11.9539 11.9539 13.0373 13.0373 13.0606 13.0606 13.0825 13.0825 13.1639 13.1639 15.0955 15.0955 15.1117 15.1117 17.4987 17.4987 17.7599 17.7599 18.9275 18.9275 18.9632 18.9632 k = 0.4286 0.1770 0.0000 ( 2066 PWs) bands (ev): -51.7766 -51.7766 -51.7729 -51.7729 -24.6640 -24.6640 -24.6487 -24.6487 -16.0521 -16.0521 -16.0017 -16.0017 -15.9086 -15.9086 -15.8966 -15.8966 3.1766 3.1766 3.7529 3.7529 11.0011 11.0011 11.8682 11.8682 13.0245 13.0245 13.0481 13.0481 13.0746 13.0746 13.1298 13.1298 15.1136 15.1136 15.1265 15.1265 17.5230 17.5230 17.7329 17.7329 18.9189 18.9189 18.9464 18.9464 k = 0.4464 0.1844 0.0000 ( 2066 PWs) bands (ev): -51.7762 -51.7762 -51.7734 -51.7734 -24.6621 -24.6621 -24.6506 -24.6506 -16.0453 -16.0453 -16.0072 -16.0072 -15.9077 -15.9077 -15.8989 -15.8989 3.2431 3.2431 3.6762 3.6762 11.1200 11.1200 11.7757 11.7757 13.0151 13.0151 13.0362 13.0362 13.0690 13.0690 13.1040 13.1040 15.1282 15.1282 15.1379 15.1379 17.5479 17.5479 17.7058 17.7058 18.9123 18.9123 18.9324 18.9324 k = 0.4643 0.1918 0.0000 ( 2066 PWs) bands (ev): -51.7757 -51.7757 -51.7738 -51.7738 -24.6602 -24.6602 -24.6525 -24.6525 -16.0386 -16.0386 -16.0130 -16.0130 -15.9067 -15.9067 -15.9009 -15.9009 3.3113 3.3113 3.6005 3.6005 11.2374 11.2374 11.6772 11.6772 13.0096 13.0096 13.0253 13.0253 13.0658 13.0658 13.0858 13.0858 15.1392 15.1392 15.1456 15.1456 17.5734 17.5734 17.6789 17.6789 18.9082 18.9082 18.9214 18.9214 k = 0.4821 0.1991 0.0000 ( 2066 PWs) bands (ev): -51.7752 -51.7752 -51.7743 -51.7743 -24.6583 -24.6583 -24.6544 -24.6544 -16.0319 -16.0319 -16.0191 -16.0191 -15.9056 -15.9056 -15.9027 -15.9027 3.3813 3.3813 3.5261 3.5261 11.3526 11.3526 11.5733 11.5733 13.0080 13.0080 13.0164 13.0164 13.0652 13.0652 13.0743 13.0743 15.1464 15.1464 15.1497 15.1497 17.5992 17.5992 17.6521 17.6521 18.9070 18.9070 18.9135 18.9135 k = 0.5000 0.2065 0.0000 ( 2066 PWs) bands (ev): -51.7748 -51.7748 -51.7748 -51.7748 -24.6564 -24.6564 -24.6564 -24.6564 -16.0254 -16.0254 -16.0254 -16.0254 -15.9042 -15.9042 -15.9042 -15.9042 3.4530 3.4530 3.4530 3.4530 11.4648 11.4648 11.4648 11.4648 13.0103 13.0103 13.0103 13.0103 13.0678 13.0678 13.0678 13.0678 15.1499 15.1499 15.1499 15.1499 17.6255 17.6255 17.6255 17.6255 18.9087 18.9087 18.9087 18.9087 k = 0.5000 0.2065 0.0000 ( 2066 PWs) bands (ev): -51.7748 -51.7748 -51.7748 -51.7748 -24.6564 -24.6564 -24.6564 -24.6564 -16.0254 -16.0254 -16.0254 -16.0254 -15.9042 -15.9042 -15.9042 -15.9042 3.4530 3.4530 3.4530 3.4530 11.4648 11.4648 11.4648 11.4648 13.0103 13.0103 13.0103 13.0103 13.0678 13.0678 13.0678 13.0678 15.1499 15.1499 15.1499 15.1499 17.6255 17.6255 17.6255 17.6255 18.9087 18.9087 18.9087 18.9087 k = 0.4948 0.2191 0.0136 ( 2066 PWs) bands (ev): -51.7748 -51.7748 -51.7747 -51.7747 -24.6565 -24.6564 -24.6564 -24.6563 -16.0271 -16.0269 -16.0240 -16.0237 -15.9057 -15.9056 -15.9031 -15.9029 3.4523 3.4537 3.4547 3.4564 11.4611 11.4627 11.4661 11.4682 12.9639 12.9813 13.0113 13.0258 13.0519 13.0552 13.1034 13.1136 15.1433 15.1453 15.1518 15.1535 17.6120 17.6254 17.6265 17.6386 18.8893 18.9000 18.9162 18.9163 k = 0.4896 0.2317 0.0272 ( 2066 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.6567 -24.6566 -24.6565 -24.6562 -16.0290 -16.0286 -16.0228 -16.0222 -15.9075 -15.9071 -15.9021 -15.9019 3.4545 3.4571 3.4588 3.4628 11.4565 11.4591 11.4670 11.4719 12.9081 12.9318 12.9999 13.0205 13.0511 13.0555 13.1548 13.1667 15.1261 15.1299 15.1586 15.1620 17.5864 17.6130 17.6404 17.6646 18.8581 18.8868 18.9150 18.9237 k = 0.4844 0.2443 0.0408 ( 2078 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.6571 -24.6569 -24.6568 -24.6563 -16.0310 -16.0305 -16.0218 -16.0207 -15.9097 -15.9091 -15.9013 -15.9012 3.4592 3.4633 3.4653 3.4722 11.4502 11.4538 11.4681 11.4760 12.8498 12.8780 12.9805 13.0099 13.0504 13.0601 13.2095 13.2212 15.0987 15.1042 15.1704 15.1757 17.5493 17.5883 17.6669 17.7030 18.8160 18.8641 18.9103 18.9315 k = 0.4792 0.2568 0.0545 ( 2078 PWs) bands (ev): -51.7747 -51.7747 -51.7746 -51.7746 -24.6574 -24.6572 -24.6571 -24.6564 -16.0331 -16.0325 -16.0208 -16.0192 -15.9121 -15.9111 -15.9006 -15.9005 3.4664 3.4723 3.4742 3.4846 11.4417 11.4464 11.4695 11.4808 12.7900 12.8229 12.9550 12.9949 13.0514 13.0651 13.2647 13.2762 15.0622 15.0690 15.1872 15.1944 17.5017 17.5525 17.7050 17.7532 18.7648 18.8292 18.9059 18.9398 k = 0.4740 0.2694 0.0681 ( 2082 PWs) bands (ev): -51.7747 -51.7747 -51.7746 -51.7746 -24.6579 -24.6577 -24.6574 -24.6565 -16.0353 -16.0347 -16.0200 -16.0178 -15.9147 -15.9134 -15.9001 -15.9001 3.4760 3.4842 3.4853 3.4999 11.4307 11.4367 11.4709 11.4860 12.7291 12.7671 12.9248 12.9761 13.0538 13.0707 13.3196 13.3312 15.0176 15.0253 15.2089 15.2181 17.4452 17.5067 17.7536 17.8141 18.7060 18.7831 18.9022 18.9484 k = 0.4688 0.2820 0.0817 ( 2082 PWs) bands (ev): -51.7746 -51.7746 -51.7744 -51.7744 -24.6583 -24.6581 -24.6579 -24.6567 -16.0376 -16.0371 -16.0192 -16.0164 -15.9176 -15.9159 -15.8998 -15.8996 3.4879 3.4987 3.4990 3.5181 11.4169 11.4244 11.4722 11.4915 12.6671 12.7107 12.8912 12.9547 13.0571 13.0772 13.3738 13.3859 14.9662 14.9742 15.2353 15.2467 17.3809 17.4524 17.8113 17.8844 18.6409 18.7280 18.8988 18.9574 k = 0.4636 0.2946 0.0953 ( 2082 PWs) bands (ev): -51.7745 -51.7745 -51.7743 -51.7743 -24.6588 -24.6587 -24.6583 -24.6569 -16.0402 -16.0398 -16.0185 -16.0150 -15.9208 -15.9187 -15.8996 -15.8992 3.5021 3.5143 3.5168 3.5393 11.4000 11.4093 11.4727 11.4967 12.6038 12.6538 12.8559 12.9319 13.0613 13.0845 13.4272 13.4403 14.9090 14.9171 15.2664 15.2802 17.3105 17.3910 17.8767 17.9630 18.5709 18.6657 18.8954 18.9670 k = 0.4584 0.3072 0.1089 ( 2084 PWs) bands (ev): -51.7744 -51.7744 -51.7742 -51.7742 -24.6593 -24.6593 -24.6589 -24.6572 -16.0429 -16.0426 -16.0180 -16.0136 -15.9242 -15.9217 -15.8995 -15.8988 3.5185 3.5321 3.5375 3.5634 11.3798 11.3911 11.4719 11.5011 12.5392 12.5965 12.8203 12.9091 13.0663 13.0924 13.4797 13.4943 14.8472 14.8549 15.3020 15.3184 17.2352 17.3238 17.9481 18.0486 18.4971 18.5978 18.8917 18.9774 k = 0.4532 0.3198 0.1225 ( 2088 PWs) bands (ev): -51.7744 -51.7744 -51.7740 -51.7740 -24.6601 -24.6600 -24.6595 -24.6575 -16.0458 -16.0457 -16.0175 -16.0123 -15.9280 -15.9251 -15.8996 -15.8985 3.5372 3.5520 3.5610 3.5903 11.3561 11.3695 11.4688 11.5039 12.4737 12.5391 12.7857 12.8876 13.0719 13.1010 13.5313 13.5476 14.7820 14.7888 15.3421 15.3613 17.1561 17.2522 18.0241 18.1399 18.4204 18.5258 18.8877 18.9889 k = 0.4480 0.3323 0.1362 ( 2098 PWs) bands (ev): -51.7743 -51.7743 -51.7739 -51.7739 -24.6609 -24.6607 -24.6603 -24.6580 -16.0490 -16.0490 -16.0171 -16.0111 -15.9320 -15.9287 -15.8997 -15.8982 3.5580 3.5740 3.5873 3.6199 11.3289 11.3444 11.4623 11.5038 12.4080 12.4824 12.7536 12.8683 13.0780 13.1101 13.5818 13.6003 14.7142 14.7198 15.3865 15.4087 17.0745 17.1775 18.1026 18.2355 18.3418 18.4509 18.8835 19.0020 k = 0.4428 0.3449 0.1498 ( 2094 PWs) bands (ev): -51.7742 -51.7742 -51.7736 -51.7736 -24.6617 -24.6614 -24.6609 -24.6584 -16.0526 -16.0523 -16.0167 -16.0097 -15.9361 -15.9325 -15.8997 -15.8978 3.5809 3.5981 3.6163 3.6523 11.2982 11.3157 11.4509 11.4991 12.3437 12.4277 12.7247 12.8522 13.0845 13.1196 13.6313 13.6521 14.6448 14.6488 15.4351 15.4607 16.9914 17.1006 18.1803 18.2641 18.3283 18.3801 18.8794 19.0176 k = 0.4376 0.3575 0.1634 ( 2092 PWs) bands (ev): -51.7741 -51.7741 -51.7734 -51.7734 -24.6626 -24.6622 -24.6616 -24.6588 -16.0563 -16.0557 -16.0163 -16.0084 -15.9405 -15.9365 -15.8998 -15.8974 3.6060 3.6241 3.6480 3.6874 11.2641 11.2833 11.4330 11.4878 12.2828 12.3766 12.6998 12.8395 13.0913 13.1294 13.6797 13.7029 14.5747 14.5764 15.4877 15.5169 16.9075 17.0224 18.1748 18.2681 18.2893 18.4411 18.8765 19.0364 k = 0.4324 0.3701 0.1770 ( 2096 PWs) bands (ev): -51.7739 -51.7739 -51.7732 -51.7732 -24.6636 -24.6631 -24.6624 -24.6593 -16.0604 -16.0595 -16.0161 -16.0071 -15.9452 -15.9408 -15.8999 -15.8970 3.6331 3.6521 3.6823 3.7250 11.2266 11.2472 11.4067 11.4672 12.2282 12.3311 12.6790 12.8305 13.0982 13.1391 13.7269 13.7523 14.5036 14.5047 15.5441 15.5774 16.8237 16.9439 18.0956 18.2101 18.3426 18.5395 18.8772 19.0595 k = 0.4272 0.3827 0.1906 ( 2096 PWs) bands (ev): -51.7738 -51.7738 -51.7729 -51.7729 -24.6646 -24.6641 -24.6631 -24.6598 -16.0646 -16.0634 -16.0160 -16.0058 -15.9498 -15.9453 -15.9000 -15.8965 3.6621 3.6819 3.7191 3.7651 11.1861 11.2076 11.3703 11.4345 12.1830 12.2930 12.6624 12.8251 13.1051 13.1487 13.7729 13.8000 14.4309 14.4358 15.6040 15.6421 16.7409 16.8659 18.0145 18.1293 18.4136 18.6296 18.8881 19.0872 k = 0.4220 0.3953 0.2042 ( 2096 PWs) bands (ev): -51.7737 -51.7737 -51.7727 -51.7727 -24.6657 -24.6651 -24.6638 -24.6604 -16.0690 -16.0676 -16.0159 -16.0045 -15.9547 -15.9501 -15.9000 -15.8960 3.6932 3.7135 3.7582 3.8076 11.1429 11.1646 11.3227 11.3880 12.1497 12.2641 12.6499 12.8231 13.1116 13.1578 13.8178 13.8451 14.3588 14.3692 15.6672 15.7105 16.6598 16.7891 17.9340 18.0482 18.4771 18.6948 18.9241 19.1177 k = 0.4168 0.4078 0.2178 ( 2096 PWs) bands (ev): -51.7735 -51.7735 -51.7724 -51.7724 -24.6669 -24.6662 -24.6646 -24.6609 -16.0737 -16.0719 -16.0160 -16.0033 -15.9597 -15.9550 -15.9000 -15.8953 3.7261 3.7468 3.7997 3.8524 11.0972 11.1182 11.2634 11.3271 12.1293 12.2450 12.6411 12.8241 13.1176 13.1662 13.8613 13.8864 14.2881 14.3067 15.7330 15.7826 16.5813 16.7142 17.8545 17.9673 18.5310 18.7223 18.9966 19.1399 k = 0.4116 0.4204 0.2315 ( 2096 PWs) bands (ev): -51.7734 -51.7734 -51.7721 -51.7721 -24.6681 -24.6673 -24.6654 -24.6616 -16.0786 -16.0764 -16.0162 -16.0020 -15.9647 -15.9601 -15.8999 -15.8946 3.7608 3.7818 3.8434 3.8994 11.0493 11.0684 11.1929 11.2533 12.1215 12.2358 12.6355 12.8276 13.1228 13.1735 13.9035 13.9210 14.2193 14.2513 15.8006 15.8579 16.5064 16.6421 17.7766 17.8869 18.5741 18.7215 19.0805 19.1153 k = 0.4064 0.4330 0.2451 ( 2088 PWs) bands (ev): -51.7732 -51.7732 -51.7718 -51.7718 -24.6692 -24.6684 -24.6661 -24.6621 -16.0836 -16.0810 -16.0165 -16.0007 -15.9695 -15.9652 -15.8996 -15.8938 3.7972 3.8184 3.8891 3.9485 10.9996 11.0145 11.1124 11.1694 12.1248 12.2358 12.6327 12.8331 13.1268 13.1793 13.9438 13.9442 14.1530 14.2087 15.8684 15.9355 16.4369 16.5738 17.7006 17.8073 18.6066 18.7046 19.0178 19.0625 k = 0.4013 0.4456 0.2587 ( 2088 PWs) bands (ev): -51.7730 -51.7730 -51.7715 -51.7715 -24.6705 -24.6696 -24.6669 -24.6627 -16.0888 -16.0858 -16.0172 -15.9995 -15.9744 -15.9707 -15.8994 -15.8929 3.8354 3.8565 3.9368 3.9996 10.9478 10.9548 11.0237 11.0801 12.1372 12.2440 12.6322 12.8400 13.1294 13.1831 13.9469 13.9832 14.0898 14.1869 15.9334 16.0141 16.3757 16.5112 17.6273 17.7287 18.6294 18.6763 18.9492 18.9846 k = 0.3961 0.4582 0.2723 ( 2088 PWs) bands (ev): -51.7729 -51.7729 -51.7712 -51.7712 -24.6718 -24.6708 -24.6678 -24.6634 -16.0942 -16.0908 -16.0181 -15.9983 -15.9791 -15.9761 -15.8991 -15.8920 3.8751 3.8959 3.9863 4.0524 10.8842 10.8915 10.9315 10.9927 12.1571 12.2593 12.6334 12.8478 13.1301 13.1844 13.9273 14.0190 14.0318 14.1890 15.9890 16.0900 16.3291 16.4579 17.5572 17.6513 18.6384 18.6439 18.8912 18.9050 k = 0.3909 0.4708 0.2859 ( 2098 PWs) bands (ev): -51.7728 -51.7728 -51.7709 -51.7709 -24.6733 -24.6723 -24.6686 -24.6642 -16.0998 -16.0959 -16.0196 -15.9973 -15.9835 -15.9818 -15.8987 -15.8910 3.9163 3.9367 4.0375 4.1070 10.7967 10.8119 10.8560 10.9158 12.1831 12.2806 12.6359 12.8558 13.1284 13.1827 13.8925 13.9740 14.0568 14.2079 16.0223 16.1536 16.3097 16.4237 17.4912 17.5756 18.5932 18.6512 18.8293 18.8437 k = 0.3857 0.4834 0.2995 ( 2098 PWs) bands (ev): -51.7726 -51.7726 -51.7705 -51.7705 -24.6747 -24.6736 -24.6694 -24.6648 -16.1054 -16.1011 -16.0215 -15.9964 -15.9873 -15.9872 -15.8983 -15.8899 3.9590 3.9787 4.0902 4.1630 10.6936 10.7087 10.7994 10.8498 12.2140 12.3068 12.6391 12.8638 13.1240 13.1775 13.8515 13.9234 14.0902 14.2347 16.0218 16.1844 16.3282 16.4292 17.4306 17.5018 18.5445 18.6519 18.7607 18.8045 k = 0.3805 0.4959 0.3131 ( 2098 PWs) bands (ev): -51.7724 -51.7724 -51.7702 -51.7702 -24.6761 -24.6749 -24.6702 -24.6655 -16.1111 -16.1063 -16.0240 -15.9964 -15.9919 -15.9906 -15.8977 -15.8888 4.0030 4.0218 4.1442 4.2203 10.5811 10.5989 10.7460 10.7900 12.2490 12.3372 12.6428 12.8710 13.1164 13.1682 13.8099 13.8779 14.1215 14.2638 15.9947 16.1738 16.3760 16.4828 17.3769 17.4303 18.4963 18.6435 18.7038 18.7708 k = 0.3753 0.5085 0.3268 ( 2090 PWs) bands (ev): -51.7723 -51.7723 -51.7698 -51.7698 -24.6775 -24.6762 -24.6709 -24.6661 -16.1168 -16.1114 -16.0271 -15.9999 -15.9933 -15.9929 -15.8970 -15.8875 4.0483 4.0660 4.1994 4.2788 10.4638 10.4860 10.6936 10.7331 12.2874 12.3711 12.6464 12.8772 13.1053 13.1545 13.7704 13.8380 14.1503 14.2926 15.9561 16.1421 16.4359 16.5640 17.3327 17.3618 18.4516 18.6168 18.6697 18.7400 k = 0.3701 0.5211 0.3404 ( 2082 PWs) bands (ev): -51.7721 -51.7721 -51.7695 -51.7695 -24.6789 -24.6775 -24.6715 -24.6667 -16.1225 -16.1165 -16.0307 -16.0052 -15.9954 -15.9922 -15.8962 -15.8861 4.0947 4.1111 4.2555 4.3382 10.3439 10.3713 10.6420 10.6781 12.3288 12.4077 12.6497 12.8820 13.0904 13.1363 13.7343 13.8037 14.1765 14.3195 15.9146 16.1046 16.4960 16.6566 17.2973 17.3012 18.4127 18.5779 18.6537 18.7108 k = 0.3649 0.5337 0.3540 ( 2090 PWs) bands (ev): -51.7719 -51.7719 -51.7692 -51.7692 -24.6805 -24.6790 -24.6723 -24.6674 -16.1283 -16.1218 -16.0350 -16.0109 -15.9971 -15.9915 -15.8955 -15.8848 4.1421 4.1570 4.3123 4.3982 10.2228 10.2557 10.5913 10.6245 12.3725 12.4463 12.6523 12.8852 13.0717 13.1138 13.7022 13.7749 14.1997 14.3434 15.8741 16.0674 16.5480 16.7527 17.2385 17.2869 18.3811 18.5423 18.6409 18.6820 k = 0.3597 0.5463 0.3676 ( 2092 PWs) bands (ev): -51.7718 -51.7718 -51.7688 -51.7688 -24.6820 -24.6804 -24.6731 -24.6681 -16.1341 -16.1270 -16.0395 -16.0166 -15.9984 -15.9906 -15.8946 -15.8834 4.1905 4.2036 4.3695 4.4587 10.1015 10.1400 10.5417 10.5723 12.4183 12.4862 12.6543 12.8868 13.0493 13.0873 13.6745 13.7510 14.2200 14.3637 15.8366 16.0328 16.5858 16.8451 17.1906 17.2942 18.3579 18.5144 18.6279 18.6531 k = 0.3545 0.5589 0.3812 ( 2088 PWs) bands (ev): -51.7717 -51.7717 -51.7685 -51.7685 -24.6834 -24.6817 -24.6737 -24.6687 -16.1399 -16.1321 -16.0442 -16.0221 -15.9993 -15.9898 -15.8936 -15.8819 4.2397 4.2508 4.4269 4.5193 9.9808 10.0248 10.4933 10.5215 12.4653 12.5263 12.6558 12.8872 13.0237 13.0578 13.6510 13.7314 14.2372 14.3797 15.8029 16.0017 16.6058 16.9175 17.1686 17.3258 18.3439 18.4950 18.6146 18.6239 k = 0.3493 0.5714 0.3948 ( 2082 PWs) bands (ev): -51.7715 -51.7715 -51.7681 -51.7681 -24.6849 -24.6830 -24.6743 -24.6692 -16.1455 -16.1371 -16.0491 -16.0275 -16.0000 -15.9890 -15.8926 -15.8803 4.2896 4.2985 4.4842 4.5797 9.8614 9.9108 10.4463 10.4721 12.5123 12.5653 12.6576 12.8869 12.9954 13.0260 13.6312 13.7154 14.2511 14.3912 15.7736 15.9749 16.6084 16.9408 17.2009 17.3805 18.3393 18.4834 18.5941 18.6019 k = 0.3441 0.5840 0.4085 ( 2076 PWs) bands (ev): -51.7713 -51.7713 -51.7678 -51.7678 -24.6863 -24.6843 -24.6748 -24.6697 -16.1510 -16.1419 -16.0539 -16.0328 -16.0007 -15.9882 -15.8915 -15.8788 4.3401 4.3466 4.5410 4.6395 9.7439 9.7987 10.4008 10.4242 12.5558 12.6009 12.6628 12.8873 12.9650 12.9932 13.6146 13.7021 14.2618 14.3979 15.7488 15.9523 16.5970 16.9186 17.2834 17.4542 18.3444 18.4774 18.5640 18.5924 k = 0.3389 0.5966 0.4221 ( 2076 PWs) bands (ev): -51.7712 -51.7712 -51.7674 -51.7674 -24.6877 -24.6857 -24.6754 -24.6702 -16.1565 -16.1467 -16.0588 -16.0381 -16.0012 -15.9876 -15.8904 -15.8772 4.3911 4.3949 4.5971 4.6985 9.6289 9.6888 10.3569 10.3781 12.5872 12.6297 12.6797 12.8895 12.9333 12.9620 13.6007 13.6909 14.2695 14.3997 15.7288 15.9343 16.5759 16.8787 17.3871 17.5417 18.3586 18.4726 18.5342 18.5904 k = 0.3337 0.6092 0.4357 ( 2072 PWs) bands (ev): -51.7711 -51.7711 -51.7671 -51.7671 -24.6891 -24.6869 -24.6759 -24.6707 -16.1619 -16.1513 -16.0636 -16.0431 -16.0016 -15.9869 -15.8892 -15.8755 4.4424 4.4434 4.6519 4.7560 9.5171 9.5820 10.3148 10.3337 12.5983 12.6477 12.7162 12.8883 12.9008 12.9420 13.5890 13.6811 14.2742 14.3968 15.7136 15.9208 16.5487 16.8337 17.4989 17.6388 18.3795 18.4637 18.5069 18.6012 k = 0.3285 0.6218 0.4493 ( 2070 PWs) bands (ev): -51.7710 -51.7710 -51.7667 -51.7667 -24.6904 -24.6881 -24.6764 -24.6712 -16.1671 -16.1557 -16.0682 -16.0480 -16.0021 -15.9864 -15.8880 -15.8739 4.4918 4.4939 4.7052 4.8118 9.4091 9.4787 10.2746 10.2912 12.5956 12.6521 12.7654 12.8683 12.8685 12.9519 13.5791 13.6723 14.2763 14.3894 15.7031 15.9117 16.5179 16.7871 17.6143 17.7420 18.3981 18.4480 18.4907 18.6272 k = 0.3233 0.6344 0.4629 ( 2074 PWs) bands (ev): -51.7709 -51.7709 -51.7664 -51.7664 -24.6919 -24.6895 -24.6769 -24.6717 -16.1722 -16.1600 -16.0728 -16.0527 -16.0026 -15.9860 -15.8868 -15.8723 4.5401 4.5454 4.7564 4.8652 9.3054 9.3796 10.2364 10.2506 12.5859 12.6429 12.8163 12.8376 12.8404 12.9836 13.5706 13.6641 14.2760 14.3778 15.6973 15.9070 16.4851 16.7402 17.7312 17.8487 18.3939 18.4266 18.5055 18.6666 k = 0.3181 0.6469 0.4765 ( 2074 PWs) bands (ev): -51.7709 -51.7709 -51.7661 -51.7661 -24.6933 -24.6907 -24.6772 -24.6721 -16.1770 -16.1640 -16.0771 -16.0572 -16.0030 -15.9856 -15.8856 -15.8707 4.5881 4.5967 4.8050 4.9157 9.2069 9.2853 10.2003 10.2121 12.5720 12.6224 12.8018 12.8050 12.8816 13.0265 13.5632 13.6562 14.2738 14.3626 15.6959 15.9065 16.4511 16.6932 17.8486 17.9566 18.3686 18.4011 18.5487 18.7169 k = 0.3129 0.6595 0.4901 ( 2078 PWs) bands (ev): -51.7708 -51.7708 -51.7658 -51.7658 -24.6946 -24.6919 -24.6776 -24.6725 -16.1817 -16.1678 -16.0813 -16.0615 -16.0035 -15.9852 -15.8843 -15.8690 4.6357 4.6477 4.8507 4.9627 9.1141 9.1965 10.1663 10.1757 12.5547 12.5930 12.7717 12.7728 12.9413 13.0760 13.5568 13.6487 14.2701 14.3444 15.6986 15.9100 16.4165 16.6459 17.9652 18.0636 18.3361 18.3726 18.6045 18.7757 k = 0.3077 0.6721 0.5038 ( 2077 PWs) bands (ev): -51.7708 -51.7708 -51.7655 -51.7655 -24.6958 -24.6930 -24.6779 -24.6728 -16.1861 -16.1713 -16.0852 -16.0654 -16.0040 -15.9850 -15.8830 -15.8674 4.6828 4.6980 4.8929 5.0055 9.0278 9.1138 10.1345 10.1415 12.5344 12.5565 12.7418 12.7426 13.0028 13.1300 13.5513 13.6413 14.2653 14.3238 15.7052 15.9172 16.3816 16.5982 18.0793 18.1672 18.3023 18.3421 18.6654 18.8402 k = 0.3025 0.6847 0.5174 ( 2075 PWs) bands (ev): -51.7708 -51.7708 -51.7652 -51.7652 -24.6970 -24.6941 -24.6781 -24.6730 -16.1903 -16.1746 -16.0888 -16.0691 -16.0045 -15.9847 -15.8817 -15.8657 4.7291 4.7474 4.9313 5.0437 8.9487 9.0380 10.1050 10.1095 12.5115 12.5143 12.7124 12.7149 13.0655 13.1869 13.5466 13.6342 14.2598 14.3015 15.7152 15.9278 16.3465 16.5497 18.1813 18.2642 18.2773 18.3105 18.7247 18.9072 k = 0.2973 0.6973 0.5310 ( 2079 PWs) bands (ev): -51.7707 -51.7707 -51.7650 -51.7650 -24.6983 -24.6952 -24.6782 -24.6732 -16.1943 -16.1775 -16.0922 -16.0725 -16.0051 -15.9846 -15.8804 -15.8641 4.7746 4.7953 4.9656 5.0764 8.8776 8.9696 10.0778 10.0798 12.4674 12.4860 12.6848 12.6891 13.1290 13.2458 13.5428 13.6274 14.2540 14.2781 15.7280 15.9415 16.3114 16.5003 18.2029 18.2743 18.3285 18.3549 18.7748 18.9730 k = 0.2921 0.7099 0.5446 ( 2081 PWs) bands (ev): -51.7707 -51.7707 -51.7647 -51.7647 -24.6995 -24.6963 -24.6782 -24.6733 -16.1979 -16.1802 -16.0952 -16.0757 -16.0057 -15.9846 -15.8791 -15.8625 4.8190 4.8411 4.9958 5.1031 8.8150 8.9093 10.0525 10.0529 12.4163 12.4581 12.6592 12.6651 13.1930 13.3060 13.5400 13.6211 14.2485 14.2544 15.7431 15.9580 16.2764 16.4498 18.1704 18.2394 18.4277 18.4304 18.8113 19.0347 k = 0.2869 0.7224 0.5582 ( 2081 PWs) bands (ev): -51.7708 -51.7708 -51.7645 -51.7645 -24.7006 -24.6972 -24.6782 -24.6733 -16.2013 -16.1826 -16.0979 -16.0784 -16.0063 -15.9846 -15.8778 -15.8609 4.8621 4.8835 5.0225 5.1232 8.7618 8.8577 10.0275 10.0305 12.3619 12.4281 12.6358 12.6433 13.2571 13.3671 13.5382 13.6153 14.2311 14.2435 15.7597 15.9769 16.2420 16.3981 18.1316 18.2031 18.4910 18.5220 18.8412 19.0928 k = 0.2817 0.7350 0.5718 ( 2081 PWs) bands (ev): -51.7708 -51.7708 -51.7642 -51.7642 -24.7016 -24.6981 -24.6781 -24.6733 -16.2044 -16.1846 -16.1003 -16.0808 -16.0070 -15.9846 -15.8765 -15.8593 4.9037 4.9201 5.0472 5.1364 8.7183 8.8153 10.0050 10.0104 12.3047 12.3960 12.6146 12.6237 13.3209 13.4284 13.5378 13.6102 14.2087 14.2395 15.7769 15.9976 16.2088 16.3454 18.0912 18.1657 18.5355 18.5990 18.8794 19.1494 k = 0.2765 0.7476 0.5854 ( 2077 PWs) bands (ev): -51.7708 -51.7708 -51.7640 -51.7640 -24.7024 -24.6989 -24.6779 -24.6732 -16.2071 -16.1863 -16.1024 -16.0828 -16.0077 -15.9847 -15.8752 -15.8577 4.9432 4.9477 5.0729 5.1426 8.6850 8.7825 9.9849 9.9928 12.2453 12.3621 12.5957 12.6064 13.3836 13.4896 13.5394 13.6061 14.1879 14.2367 15.7931 16.0196 16.1777 16.2919 18.0499 18.1276 18.5660 18.6511 18.9368 19.2037 k = 0.2713 0.7602 0.5991 ( 2071 PWs) bands (ev): -51.7709 -51.7709 -51.7638 -51.7638 -24.7033 -24.6996 -24.6776 -24.6730 -16.2095 -16.1876 -16.1040 -16.0845 -16.0084 -15.9849 -15.8739 -15.8562 4.9628 4.9797 5.1024 5.1423 8.6623 8.7595 9.9673 9.9776 12.1841 12.3266 12.5792 12.5915 13.4431 13.5447 13.5493 13.6040 14.1692 14.2356 15.8065 16.0415 16.1503 16.2386 18.0082 18.0889 18.5861 18.6818 19.0100 19.2505 k = 0.2713 0.7602 0.5991 ( 2071 PWs) bands (ev): -51.7709 -51.7709 -51.7638 -51.7638 -24.7033 -24.6996 -24.6776 -24.6730 -16.2095 -16.1876 -16.1040 -16.0845 -16.0084 -15.9849 -15.8739 -15.8562 4.9628 4.9797 5.1024 5.1423 8.6623 8.7595 9.9673 9.9776 12.1841 12.3266 12.5792 12.5915 13.4431 13.5447 13.5493 13.6040 14.1692 14.2356 15.8065 16.0415 16.1503 16.2386 18.0082 18.0889 18.5861 18.6818 19.0100 19.2505 k = 0.2532 0.7568 0.6028 ( 2073 PWs) bands (ev): -51.7709 -51.7709 -51.7637 -51.7637 -24.7035 -24.6998 -24.6775 -24.6729 -16.2101 -16.1880 -16.1044 -16.0849 -16.0086 -15.9851 -15.8735 -15.8558 4.9639 4.9871 5.1120 5.1430 8.6591 8.7558 9.9617 9.9723 12.1683 12.3160 12.5752 12.5878 13.4592 13.5478 13.5643 13.6042 14.1650 14.2365 15.8103 16.0485 16.1428 16.2223 17.9932 18.0743 18.5914 18.6877 19.0299 19.2591 k = 0.2351 0.7533 0.6065 ( 2078 PWs) bands (ev): -51.7709 -51.7709 -51.7637 -51.7637 -24.7038 -24.7002 -24.6774 -24.6729 -16.2106 -16.1887 -16.1046 -16.0855 -16.0087 -15.9855 -15.8729 -15.8555 4.9630 4.9908 5.1228 5.1465 8.6589 8.7545 9.9536 9.9641 12.1549 12.3042 12.5714 12.5841 13.4752 13.5531 13.5760 13.6063 14.1624 14.2392 15.8153 16.0575 16.1348 16.2028 17.9715 18.0521 18.5982 18.6923 19.0477 19.2631 k = 0.2171 0.7499 0.6102 ( 2082 PWs) bands (ev): -51.7710 -51.7710 -51.7636 -51.7636 -24.7041 -24.7006 -24.6772 -24.6729 -16.2110 -16.1895 -16.1046 -16.0861 -16.0086 -15.9860 -15.8721 -15.8553 4.9610 4.9913 5.1340 5.1522 8.6617 8.7552 9.9434 9.9531 12.1440 12.2918 12.5680 12.5806 13.4891 13.5617 13.5818 13.6125 14.1617 14.2441 15.8204 16.0668 16.1275 16.1820 17.9436 18.0230 18.6059 18.6958 19.0635 19.2632 k = 0.1990 0.7464 0.6140 ( 2083 PWs) bands (ev): -51.7710 -51.7710 -51.7635 -51.7635 -24.7043 -24.7009 -24.6770 -24.6729 -16.2112 -16.1905 -16.1044 -16.0867 -16.0085 -15.9867 -15.8713 -15.8551 4.9585 4.9896 5.1451 5.1593 8.6671 8.7577 9.9311 9.9397 12.1358 12.2793 12.5650 12.5773 13.4994 13.5739 13.5819 13.6222 14.1636 14.2511 15.8243 16.0724 16.1223 16.1641 17.9104 17.9880 18.6141 18.6980 19.0775 19.2604 k = 0.1809 0.7430 0.6177 ( 2081 PWs) bands (ev): -51.7711 -51.7711 -51.7635 -51.7635 -24.7044 -24.7012 -24.6767 -24.6729 -16.2112 -16.1915 -16.1041 -16.0874 -16.0081 -15.9876 -15.8703 -15.8550 4.9558 4.9864 5.1557 5.1671 8.6750 8.7619 9.9171 9.9242 12.1302 12.2670 12.5623 12.5742 13.5061 13.5791 13.5890 13.6325 14.1684 14.2601 15.8259 16.0665 16.1210 16.1570 17.8731 17.9484 18.6223 18.6991 19.0901 19.2552 k = 0.1628 0.7396 0.6214 ( 2083 PWs) bands (ev): -51.7711 -51.7711 -51.7634 -51.7634 -24.7046 -24.7016 -24.6764 -24.6729 -16.2111 -16.1928 -16.1037 -16.0881 -16.0077 -15.9886 -15.8692 -15.8550 4.9532 4.9824 5.1655 5.1748 8.6849 8.7671 9.9018 9.9072 12.1271 12.2550 12.5601 12.5712 13.5102 13.5749 13.6049 13.6418 14.1763 14.2707 15.8241 16.0459 16.1246 16.1641 17.8330 17.9053 18.6301 18.6991 19.1015 19.2486 k = 0.1447 0.7361 0.6251 ( 2079 PWs) bands (ev): -51.7712 -51.7712 -51.7633 -51.7633 -24.7046 -24.7019 -24.6761 -24.6729 -16.2109 -16.1940 -16.1031 -16.0889 -16.0071 -15.9896 -15.8681 -15.8551 4.9508 4.9778 5.1745 5.1822 8.6964 8.7731 9.8856 9.8892 12.1263 12.2437 12.5582 12.5685 13.5128 13.5700 13.6202 13.6497 14.1877 14.2826 15.8188 16.0164 16.1338 16.1796 17.7915 17.8602 18.6374 18.6981 19.1120 19.2410 k = 0.1266 0.7327 0.6289 ( 2081 PWs) bands (ev): -51.7712 -51.7712 -51.7633 -51.7633 -24.7047 -24.7023 -24.6758 -24.6729 -16.2105 -16.1953 -16.1024 -16.0897 -16.0065 -15.9908 -15.8669 -15.8553 4.9488 4.9732 5.1825 5.1890 8.7093 8.7794 9.8691 9.8710 12.1275 12.2329 12.5566 12.5660 13.5146 13.5647 13.6336 13.6560 14.2022 14.2949 15.8105 15.9832 16.1481 16.1984 17.7502 17.8143 18.6440 18.6963 19.1216 19.2329 k = 0.1085 0.7292 0.6326 ( 2081 PWs) bands (ev): -51.7713 -51.7713 -51.7632 -51.7632 -24.7048 -24.7027 -24.6754 -24.6730 -16.2101 -16.1967 -16.1017 -16.0905 -16.0058 -15.9920 -15.8657 -15.8555 4.9472 4.9686 5.1895 5.1949 8.7229 8.7855 9.8528 9.8533 12.1304 12.2226 12.5554 12.5638 13.5161 13.5591 13.6447 13.6609 14.2193 14.3068 15.8007 15.9489 16.1663 16.2178 17.7107 17.7693 18.6498 18.6939 19.1307 19.2246 k = 0.0904 0.7258 0.6363 ( 2078 PWs) bands (ev): -51.7713 -51.7713 -51.7632 -51.7632 -24.7048 -24.7030 -24.6751 -24.6730 -16.2094 -16.1981 -16.1008 -16.0914 -16.0049 -15.9932 -15.8645 -15.8559 4.9462 4.9643 5.1955 5.2000 8.7367 8.7908 9.8368 9.8374 12.1347 12.2128 12.5546 12.5617 13.5176 13.5535 13.6534 13.6645 14.2383 14.3175 15.7909 15.9150 16.1869 16.2361 17.6746 17.7266 18.6550 18.6911 19.1392 19.2164 k = 0.0724 0.7223 0.6400 ( 2076 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7048 -24.7033 -24.6747 -24.6731 -16.2087 -16.1995 -16.1000 -16.0923 -16.0040 -15.9945 -15.8633 -15.8563 4.9456 4.9603 5.2005 5.2041 8.7502 8.7949 9.8223 9.8235 12.1402 12.2035 12.5541 12.5599 13.5192 13.5481 13.6598 13.6671 14.2581 14.3258 15.7828 15.8828 16.2081 16.2519 17.6436 17.6875 18.6596 18.6880 19.1472 19.2082 k = 0.0543 0.7189 0.6437 ( 2077 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7047 -24.7037 -24.6744 -24.6732 -16.2079 -16.2009 -16.0991 -16.0933 -16.0030 -15.9958 -15.8622 -15.8569 4.9456 4.9567 5.2045 5.2071 8.7628 8.7972 9.8103 9.8118 12.1466 12.1945 12.5539 12.5583 13.5212 13.5429 13.6644 13.6689 14.2775 14.3310 15.7778 15.8535 16.2284 16.2640 17.6192 17.6537 18.6637 18.6847 19.1550 19.2003 k = 0.0362 0.7155 0.6475 ( 2074 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7046 -24.7039 -24.6742 -24.6733 -16.2069 -16.2022 -16.0981 -16.0942 -16.0018 -15.9970 -15.8611 -15.8575 4.9461 4.9536 5.2075 5.2092 8.7741 8.7974 9.8015 9.8027 12.1537 12.1858 12.5540 12.5570 13.5235 13.5380 13.6674 13.6699 14.2952 14.3323 15.7772 15.8280 16.2463 16.2713 17.6027 17.6265 18.6675 18.6814 19.1625 19.1925 k = 0.0181 0.7120 0.6512 ( 2078 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7045 -24.7042 -24.6739 -24.6735 -16.2059 -16.2035 -16.0972 -16.0952 -16.0008 -15.9983 -15.8601 -15.8583 4.9472 4.9509 5.2094 5.2103 8.7834 8.7952 9.7962 9.7969 12.1612 12.1774 12.5543 12.5558 13.5264 13.5336 13.6692 13.6703 14.3104 14.3293 15.7816 15.8072 16.2603 16.2733 17.5948 17.6070 18.6711 18.6780 19.1700 19.1849 k = 0.0000 0.7086 0.6549 ( 2082 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7044 -24.7044 -24.6738 -24.6738 -16.2048 -16.2048 -16.0962 -16.0962 -15.9996 -15.9996 -15.8592 -15.8592 4.9488 4.9488 5.2104 5.2104 8.7905 8.7905 9.7947 9.7947 12.1692 12.1692 12.5549 12.5549 13.5297 13.5297 13.6701 13.6701 14.3219 14.3219 15.7916 15.7916 16.2695 16.2695 17.5963 17.5963 18.6746 18.6746 19.1773 19.1773 k = 0.0000 0.7086 0.6549 ( 2082 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7044 -24.7044 -24.6738 -24.6738 -16.2048 -16.2048 -16.0962 -16.0962 -15.9996 -15.9996 -15.8592 -15.8592 4.9488 4.9488 5.2104 5.2104 8.7905 8.7905 9.7947 9.7947 12.1692 12.1692 12.5549 12.5549 13.5297 13.5297 13.6701 13.6701 14.3219 14.3219 15.7916 15.7916 16.2695 16.2695 17.5963 17.5963 18.6746 18.6746 19.1773 19.1773 k = 0.0052 0.6960 0.6686 ( 2082 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7045 -24.7043 -24.6738 -24.6738 -16.2054 -16.2042 -16.0968 -16.0957 -16.0002 -15.9993 -15.8598 -15.8588 4.9466 4.9519 5.2093 5.2122 8.7892 8.7946 9.7899 9.8012 12.1621 12.1654 12.5555 12.5592 13.5235 13.5311 13.6614 13.6749 14.3192 14.3288 15.7468 15.8155 16.2567 16.3101 17.5735 17.6114 18.6638 18.6997 19.1714 19.1855 k = 0.0104 0.6834 0.6822 ( 2086 PWs) bands (ev): -51.7713 -51.7713 -51.7631 -51.7631 -24.7047 -24.7044 -24.6740 -24.6739 -16.2060 -16.2036 -16.0974 -16.0952 -16.0011 -15.9993 -15.8608 -15.8588 4.9454 4.9559 5.2090 5.2149 8.7906 8.8013 9.7868 9.8092 12.1451 12.1513 12.5604 12.5678 13.5127 13.5274 13.6490 13.6755 14.3207 14.3395 15.6905 15.8129 16.2767 16.3689 17.5450 17.6180 18.6683 18.7374 19.1678 19.1958 k = 0.0156 0.6707 0.6959 ( 2082 PWs) bands (ev): -51.7713 -51.7713 -51.7630 -51.7630 -24.7049 -24.7043 -24.6742 -24.6740 -16.2065 -16.2028 -16.0980 -16.0946 -16.0022 -15.9995 -15.8620 -15.8591 4.9453 4.9609 5.2096 5.2184 8.7948 8.8107 9.7855 9.8189 12.1197 12.1282 12.5679 12.5791 13.4978 13.5188 13.6331 13.6720 14.3262 14.3539 15.6295 15.7885 16.3245 16.4388 17.5133 17.6167 18.6879 18.7855 19.1666 19.2083 k = 0.0208 0.6581 0.7095 ( 2080 PWs) bands (ev): -51.7712 -51.7712 -51.7630 -51.7630 -24.7051 -24.7044 -24.6745 -24.6743 -16.2070 -16.2021 -16.0987 -16.0941 -16.0036 -15.9999 -15.8636 -15.8596 4.9461 4.9668 5.2110 5.2227 8.8017 8.8227 9.7859 9.8300 12.0880 12.0982 12.5759 12.5913 13.4795 13.5056 13.6139 13.6643 14.3353 14.3713 15.5679 15.7518 16.3896 16.5151 17.4814 17.6092 18.7213 18.8416 19.1678 19.2227 k = 0.0260 0.6455 0.7231 ( 2078 PWs) bands (ev): -51.7711 -51.7711 -51.7629 -51.7629 -24.7054 -24.7044 -24.6748 -24.6746 -16.2075 -16.2013 -16.0993 -16.0936 -16.0052 -16.0006 -15.8654 -15.8605 4.9479 4.9735 5.2132 5.2278 8.8114 8.8373 9.7879 9.8423 12.0515 12.0632 12.5826 12.6029 13.4583 13.4885 13.5914 13.6526 14.3478 14.3914 15.5081 15.7098 16.4634 16.5943 17.4525 17.5985 18.7664 18.9035 19.1718 19.2390 k = 0.0312 0.6329 0.7368 ( 2078 PWs) bands (ev): -51.7710 -51.7710 -51.7629 -51.7629 -24.7057 -24.7046 -24.6753 -24.6750 -16.2080 -16.2006 -16.1000 -16.0932 -16.0071 -16.0015 -15.8676 -15.8616 4.9506 4.9810 5.2161 5.2336 8.8238 8.8544 9.7916 9.8557 12.0116 12.0248 12.5865 12.6124 13.4346 13.4682 13.5658 13.6369 14.3633 14.4135 15.4513 15.6666 16.5400 16.6736 17.4300 17.5879 18.8208 18.9685 19.1789 19.2574 k = 0.0365 0.6203 0.7504 ( 2076 PWs) bands (ev): -51.7708 -51.7708 -51.7628 -51.7628 -24.7061 -24.7048 -24.6757 -24.6754 -16.2085 -16.1998 -16.1008 -16.0929 -16.0092 -16.0027 -15.8699 -15.8630 4.9543 4.9893 5.2199 5.2402 8.8390 8.8740 9.7968 9.8700 11.9692 11.9844 12.5866 12.6189 13.4089 13.4453 13.5372 13.6177 14.3814 14.4374 15.3980 15.6242 16.6149 16.7503 17.4176 17.5814 18.8820 19.0337 19.1905 19.2782 k = 0.0417 0.6077 0.7641 ( 2078 PWs) bands (ev): -51.7707 -51.7707 -51.7627 -51.7627 -24.7065 -24.7050 -24.6763 -24.6759 -16.2090 -16.1990 -16.1016 -16.0926 -16.0116 -16.0041 -15.8726 -15.8646 4.9589 4.9982 5.2244 5.2474 8.8568 8.8959 9.8033 9.8850 11.9251 11.9433 12.5821 12.6217 13.3812 13.4206 13.5061 13.5952 14.4018 14.4627 15.3485 15.5832 16.6840 16.8214 17.4193 17.5828 18.9478 19.0936 19.2100 19.3020 k = 0.0469 0.5951 0.7777 ( 2078 PWs) bands (ev): -51.7705 -51.7705 -51.7626 -51.7626 -24.7070 -24.7053 -24.6770 -24.6765 -16.2095 -16.1982 -16.1025 -16.0924 -16.0140 -16.0056 -15.8756 -15.8665 4.9643 5.0077 5.2296 5.2554 8.8772 8.9201 9.8112 9.9004 11.8799 11.9023 12.5726 12.6204 13.3514 13.3943 13.4729 13.5700 14.4245 14.4891 15.3026 15.5440 16.7439 16.8842 17.4385 17.5960 19.0153 19.1402 19.2431 19.3310 k = 0.0521 0.5825 0.7914 ( 2078 PWs) bands (ev): -51.7703 -51.7703 -51.7625 -51.7625 -24.7074 -24.7056 -24.6777 -24.6772 -16.2101 -16.1974 -16.1034 -16.0923 -16.0166 -16.0073 -15.8787 -15.8687 4.9705 5.0177 5.2356 5.2640 8.9002 8.9465 9.8202 9.9159 11.8341 11.8622 12.5579 12.6146 13.3194 13.3663 13.4387 13.5427 14.4491 14.5166 15.2600 15.5062 16.7926 16.9370 17.4768 17.6242 19.0810 19.1723 19.2875 19.3692 k = 0.0573 0.5699 0.8050 ( 2080 PWs) bands (ev): -51.7702 -51.7702 -51.7624 -51.7624 -24.7079 -24.7060 -24.6785 -24.6779 -16.2106 -16.1965 -16.1045 -16.0924 -16.0193 -16.0090 -15.8822 -15.8711 4.9776 5.0282 5.2423 5.2731 8.9258 8.9750 9.8301 9.9313 11.7883 11.8236 12.5382 12.6045 13.2850 13.3358 13.4049 13.5139 14.4758 14.5451 15.2202 15.4696 16.8303 16.9799 17.5333 17.6690 19.1372 19.2018 19.3324 19.4204 k = 0.0625 0.5572 0.8186 ( 2078 PWs) bands (ev): -51.7699 -51.7699 -51.7623 -51.7623 -24.7085 -24.7063 -24.6794 -24.6787 -16.2112 -16.1957 -16.1056 -16.0926 -16.0221 -16.0109 -15.8857 -15.8736 4.9853 5.0391 5.2496 5.2829 8.9538 9.0056 9.8409 9.9463 11.7428 11.7868 12.5138 12.5902 13.2481 13.3017 13.3732 13.4840 14.5043 14.5744 15.1828 15.4337 16.8598 17.0143 17.6051 17.7297 19.1733 19.2415 19.3757 19.4820 k = 0.0677 0.5446 0.8323 ( 2072 PWs) bands (ev): -51.7697 -51.7697 -51.7622 -51.7622 -24.7090 -24.7067 -24.6802 -24.6795 -16.2118 -16.1948 -16.1068 -16.0930 -16.0248 -16.0127 -15.8895 -15.8762 4.9938 5.0503 5.2575 5.2931 8.9843 9.0380 9.8523 9.9605 11.6981 11.7523 12.4850 12.5719 13.2090 13.2636 13.3444 13.4537 14.5346 14.6045 15.1471 15.3982 16.8846 17.0429 17.6882 17.8040 19.1940 19.2854 19.4227 19.5474 k = 0.0729 0.5320 0.8459 ( 2074 PWs) bands (ev): -51.7694 -51.7694 -51.7620 -51.7620 -24.7096 -24.7071 -24.6812 -24.6804 -16.2125 -16.1940 -16.1082 -16.0936 -16.0275 -16.0147 -15.8935 -15.8791 5.0028 5.0618 5.2660 5.3037 9.0170 9.0722 9.8641 9.9738 11.6544 11.7203 12.4523 12.5500 13.1679 13.2220 13.3180 13.4232 14.5664 14.6354 15.1127 15.3630 16.9081 17.0685 17.7793 17.8887 19.2090 19.3234 19.4752 19.6120 k = 0.0781 0.5194 0.8596 ( 2078 PWs) bands (ev): -51.7692 -51.7692 -51.7619 -51.7619 -24.7102 -24.7076 -24.6823 -24.6814 -16.2132 -16.1932 -16.1097 -16.0946 -16.0301 -16.0166 -15.8976 -15.8822 5.0124 5.0734 5.2750 5.3147 9.0519 9.1080 9.8762 9.9858 11.6119 11.6910 12.4161 12.5250 13.1254 13.1782 13.2932 13.3926 14.5998 14.6670 15.0792 15.3280 16.9329 17.0937 17.8756 17.9809 19.2215 19.3547 19.5304 19.6727 k = 0.0833 0.5068 0.8732 ( 2078 PWs) bands (ev): -51.7689 -51.7689 -51.7618 -51.7618 -24.7108 -24.7081 -24.6834 -24.6824 -16.2140 -16.1924 -16.1114 -16.0959 -16.0325 -16.0184 -15.9019 -15.8853 5.0226 5.0852 5.2845 5.3259 9.0889 9.1453 9.8885 9.9965 11.5707 11.6644 12.3771 12.4971 13.0819 13.1335 13.2690 13.3619 14.6343 14.6990 15.0464 15.2935 16.9607 17.1206 17.9752 18.0780 19.2324 19.3815 19.5845 19.7249 k = 0.0885 0.4942 0.8869 ( 2076 PWs) bands (ev): -51.7686 -51.7686 -51.7616 -51.7616 -24.7115 -24.7086 -24.6844 -24.6835 -16.2148 -16.1917 -16.1132 -16.0975 -16.0348 -16.0202 -15.9062 -15.8886 5.0332 5.0971 5.2944 5.3373 9.1279 9.1840 9.9007 10.0056 11.5311 11.6406 12.3355 12.4667 13.0383 13.0888 13.2450 13.3311 14.6699 14.7311 15.0142 15.2598 16.9925 17.1505 18.0762 18.1780 19.2417 19.4055 19.6340 19.7556 k = 0.0938 0.4816 0.9005 ( 2074 PWs) bands (ev): -51.7683 -51.7683 -51.7615 -51.7615 -24.7121 -24.7091 -24.6856 -24.6845 -16.2157 -16.1910 -16.1152 -16.0995 -16.0367 -16.0218 -15.9107 -15.8919 5.0443 5.1090 5.3045 5.3489 9.1687 9.2239 9.9129 10.0132 11.4930 11.6192 12.2919 12.4341 12.9952 13.0450 13.2208 13.3001 14.7060 14.7630 14.9828 15.2277 17.0288 17.1843 18.1772 18.2793 19.2494 19.4275 19.6735 19.7524 k = 0.0990 0.4690 0.9142 ( 2076 PWs) bands (ev): -51.7680 -51.7680 -51.7613 -51.7613 -24.7128 -24.7097 -24.6868 -24.6857 -16.2167 -16.1903 -16.1174 -16.1020 -16.0384 -16.0233 -15.9152 -15.8953 5.0557 5.1209 5.3149 5.3604 9.2112 9.2648 9.9248 10.0193 11.4565 11.6001 12.2465 12.3995 12.9533 13.0029 13.1961 13.2688 14.7423 14.7940 14.9524 15.1979 17.0697 17.2226 18.2771 18.3805 19.2551 19.4482 19.6887 19.7460 k = 0.1042 0.4564 0.9278 ( 2078 PWs) bands (ev): -51.7677 -51.7677 -51.7612 -51.7612 -24.7134 -24.7102 -24.6881 -24.6869 -16.2178 -16.1897 -16.1197 -16.1048 -16.0398 -16.0246 -15.9197 -15.8987 5.0675 5.1328 5.3255 5.3719 9.2553 9.3066 9.9364 10.0239 11.4214 11.5827 12.1997 12.3630 12.9133 12.9631 13.1709 13.2373 14.7776 14.8229 14.9240 15.1717 17.1153 17.2655 18.3747 18.4805 19.2584 19.4677 19.6749 19.7356 k = 0.1094 0.4437 0.9414 ( 2082 PWs) bands (ev): -51.7674 -51.7674 -51.7610 -51.7610 -24.7141 -24.7108 -24.6894 -24.6881 -16.2190 -16.1892 -16.1223 -16.1080 -16.0410 -16.0258 -15.9244 -15.9022 5.0795 5.1446 5.3361 5.3832 9.3007 9.3491 9.9478 10.0272 11.3877 11.5667 12.1516 12.3248 12.8758 12.9261 13.1453 13.2056 14.8098 14.8467 14.9016 15.1508 17.1653 17.3133 18.4688 18.5778 19.2592 19.4858 19.6526 19.7136 k = 0.1146 0.4311 0.9551 ( 2080 PWs) bands (ev): -51.7671 -51.7671 -51.7609 -51.7609 -24.7148 -24.7114 -24.6906 -24.6893 -16.2203 -16.1888 -16.1249 -16.1115 -16.0418 -16.0266 -15.9289 -15.9056 5.0918 5.1564 5.3467 5.3942 9.3473 9.3921 9.9589 10.0296 11.3552 11.5514 12.1025 12.2848 12.8412 12.8924 13.1192 13.1737 14.8309 14.8558 14.9008 15.1373 17.2197 17.3659 18.5584 18.6712 19.2578 19.5024 19.6302 19.6916 k = 0.1198 0.4185 0.9687 ( 2082 PWs) bands (ev): -51.7667 -51.7667 -51.7607 -51.7607 -24.7155 -24.7120 -24.6919 -24.6905 -16.2217 -16.1884 -16.1278 -16.1152 -16.0423 -16.0273 -15.9335 -15.9090 5.1044 5.1681 5.3571 5.4048 9.3949 9.4354 9.9699 10.0313 11.3238 11.5362 12.0524 12.2432 12.8101 12.8623 13.0929 13.1420 14.8216 14.8650 14.9241 15.1329 17.2782 17.4230 18.6424 18.7587 19.2554 19.5165 19.6096 19.6748 k = 0.1250 0.4059 0.9824 ( 2080 PWs) bands (ev): -51.7664 -51.7664 -51.7606 -51.7606 -24.7160 -24.7125 -24.6933 -24.6918 -16.2232 -16.1881 -16.1307 -16.1192 -16.0426 -16.0277 -15.9380 -15.9124 5.1170 5.1797 5.3673 5.4150 9.4433 9.4789 9.9807 10.0327 11.2933 11.5207 12.0014 12.2000 12.7826 12.8359 13.0665 13.1107 14.8009 14.8718 14.9548 15.1384 17.3405 17.4846 18.7196 18.8376 19.2543 19.5263 19.5934 19.6659 k = 0.1302 0.3933 0.9960 ( 2082 PWs) bands (ev): -51.7661 -51.7661 -51.7604 -51.7604 -24.7167 -24.7131 -24.6946 -24.6931 -16.2248 -16.1879 -16.1339 -16.1234 -16.0427 -16.0280 -15.9425 -15.9158 5.1299 5.1912 5.3773 5.4246 9.4923 9.5223 9.9916 10.0343 11.2636 11.5043 11.9497 12.1552 12.7588 12.8133 13.0403 13.0801 14.7800 14.8712 14.9874 15.1525 17.4064 17.5505 18.7892 18.9043 19.2584 19.5287 19.5862 19.6649 k = 0.1354 0.3807 1.0097 ( 2082 PWs) bands (ev): -51.7657 -51.7657 -51.7603 -51.7603 -24.7173 -24.7136 -24.6959 -24.6943 -16.2264 -16.1878 -16.1371 -16.1277 -16.0427 -16.0280 -15.9468 -15.9190 5.1428 5.2026 5.3868 5.4336 9.5416 9.5655 10.0025 10.0364 11.2345 11.4867 11.8973 12.1088 12.7386 12.7944 13.0145 13.0508 14.7610 14.8659 15.0199 15.1728 17.4757 17.6204 18.8503 18.9547 19.2724 19.5238 19.5904 19.6702 k = 0.1406 0.3681 1.0233 ( 2084 PWs) bands (ev): -51.7654 -51.7654 -51.7602 -51.7602 -24.7179 -24.7142 -24.6973 -24.6956 -16.2282 -16.1878 -16.1405 -16.1320 -16.0425 -16.0279 -15.9511 -15.9222 5.1559 5.2138 5.3959 5.4418 9.5909 9.6082 10.0137 10.0395 11.2058 11.4676 11.8442 12.0611 12.7218 12.7790 12.9893 13.0230 14.7445 14.8583 15.0512 15.1967 17.5482 17.6942 18.9025 18.9868 19.2988 19.5179 19.6020 19.6801 k = 0.1458 0.3555 1.0370 ( 2082 PWs) bands (ev): -51.7650 -51.7650 -51.7600 -51.7600 -24.7185 -24.7147 -24.6986 -24.6968 -16.2300 -16.1878 -16.1439 -16.1363 -16.0421 -16.0275 -15.9553 -15.9253 5.1690 5.2250 5.4044 5.4494 9.6399 9.6504 10.0251 10.0441 11.1775 11.4470 11.7906 12.0120 12.7079 12.7666 12.9651 12.9974 14.7310 14.8504 15.0805 15.2222 17.6238 17.7716 18.9462 19.0037 19.3353 19.5155 19.6181 19.6929 k = 0.1510 0.3429 1.0506 ( 2080 PWs) bands (ev): -51.7647 -51.7647 -51.7599 -51.7599 -24.7190 -24.7152 -24.6999 -24.6980 -16.2319 -16.1880 -16.1474 -16.1404 -16.0416 -16.0270 -15.9594 -15.9283 5.1821 5.2360 5.4123 5.4560 9.6872 9.6929 10.0366 10.0510 11.1495 11.4246 11.7365 11.9616 12.6966 12.7569 12.9421 12.9742 14.7206 14.8434 15.1074 15.2477 17.7024 17.8525 18.9813 19.0127 19.3761 19.5178 19.6379 19.7074 k = 0.1562 0.3302 1.0642 ( 2082 PWs) bands (ev): -51.7643 -51.7643 -51.7598 -51.7598 -24.7195 -24.7157 -24.7013 -24.6993 -16.2338 -16.1882 -16.1511 -16.1445 -16.0410 -16.0264 -15.9634 -15.9312 5.1952 5.2470 5.4195 5.4618 9.7293 9.7389 10.0482 10.0606 11.1217 11.4007 11.6822 11.9101 12.6873 12.7491 12.9209 12.9537 14.7137 14.8381 15.1316 15.2722 17.7837 17.9367 19.0036 19.0255 19.4160 19.5249 19.6607 19.7227 k = 0.1615 0.3176 1.0779 ( 2076 PWs) bands (ev): -51.7640 -51.7640 -51.7597 -51.7597 -24.7199 -24.7160 -24.7026 -24.7005 -16.2358 -16.1885 -16.1547 -16.1483 -16.0402 -16.0256 -15.9672 -15.9339 5.2084 5.2578 5.4260 5.4667 9.7682 9.7859 10.0603 10.0729 11.0941 11.3753 11.6278 11.8575 12.6797 12.7426 12.9020 12.9359 14.7102 14.8350 15.1527 15.2947 17.8678 18.0241 19.0122 19.0495 19.4519 19.5359 19.6857 19.7387 k = 0.1667 0.3050 1.0915 ( 2078 PWs) bands (ev): -51.7637 -51.7637 -51.7596 -51.7596 -24.7204 -24.7165 -24.7039 -24.7017 -16.2378 -16.1889 -16.1585 -16.1520 -16.0394 -16.0247 -15.9710 -15.9366 5.2215 5.2684 5.4318 5.4707 9.8053 9.8320 10.0737 10.0874 11.0667 11.3486 11.5736 11.8040 12.6735 12.7368 12.8859 12.9207 14.7103 14.8342 15.1704 15.3147 17.9544 18.1144 19.0201 19.0766 19.4826 19.5501 19.7112 19.7553 k = 0.1719 0.2924 1.1052 ( 2074 PWs) bands (ev): -51.7633 -51.7633 -51.7595 -51.7595 -24.7207 -24.7168 -24.7051 -24.7029 -16.2398 -16.1893 -16.1623 -16.1554 -16.0384 -16.0238 -15.9746 -15.9392 5.2345 5.2790 5.4367 5.4736 9.8407 9.8769 10.0892 10.1036 11.0397 11.3205 11.5199 11.7498 12.6685 12.7310 12.8729 12.9079 14.7139 14.8358 15.1846 15.3316 18.0436 18.2076 19.0320 19.1058 19.5082 19.5666 19.7350 19.7732 k = 0.1771 0.2798 1.1188 ( 2074 PWs) bands (ev): -51.7630 -51.7630 -51.7594 -51.7594 -24.7210 -24.7171 -24.7064 -24.7040 -16.2417 -16.1898 -16.1661 -16.1586 -16.0373 -16.0228 -15.9781 -15.9416 5.2475 5.2894 5.4407 5.4756 9.8746 9.9203 10.1070 10.1210 11.0130 11.2912 11.4673 11.6950 12.6644 12.7249 12.8630 12.8974 14.7209 14.8398 15.1954 15.3450 18.1352 18.3033 19.0494 19.1382 19.5295 19.5845 19.7554 19.7926 k = 0.1823 0.2672 1.1325 ( 2074 PWs) bands (ev): -51.7627 -51.7627 -51.7593 -51.7593 -24.7213 -24.7174 -24.7076 -24.7052 -16.2437 -16.1903 -16.1697 -16.1616 -16.0362 -16.0218 -15.9814 -15.9439 5.2604 5.2996 5.4440 5.4766 9.9071 9.9620 10.1270 10.1397 10.9868 11.2605 11.4163 11.6398 12.6614 12.7185 12.8561 12.8888 14.7312 14.8459 15.2025 15.3546 18.2291 18.4015 19.0731 19.1747 19.5476 19.6033 19.7721 19.8127 k = 0.1875 0.2546 1.1461 ( 2074 PWs) bands (ev): -51.7624 -51.7624 -51.7593 -51.7593 -24.7216 -24.7177 -24.7088 -24.7063 -16.2456 -16.1909 -16.1732 -16.1643 -16.0350 -16.0208 -15.9846 -15.9460 5.2732 5.3097 5.4464 5.4766 9.9384 10.0018 10.1489 10.1592 10.9612 11.2281 11.3680 11.5844 12.6592 12.7119 12.8517 12.8818 14.7446 14.8540 15.2063 15.3602 18.3252 18.5018 19.1035 19.2156 19.5634 19.6224 19.7863 19.8317 k = 0.1927 0.2420 1.1598 ( 2070 PWs) bands (ev): -51.7621 -51.7621 -51.7592 -51.7592 -24.7217 -24.7179 -24.7099 -24.7073 -16.2474 -16.1914 -16.1766 -16.1669 -16.0336 -16.0197 -15.9877 -15.9480 5.2859 5.3197 5.4479 5.4757 9.9688 10.0395 10.1723 10.1794 10.9365 11.1936 11.3232 11.5293 12.6580 12.7055 12.8492 12.8762 14.7609 14.8639 15.2068 15.3619 18.4235 18.6040 19.1406 19.2610 19.5775 19.6418 19.7990 19.8483 k = 0.1979 0.2294 1.1734 ( 2072 PWs) bands (ev): -51.7618 -51.7618 -51.7592 -51.7592 -24.7219 -24.7181 -24.7110 -24.7083 -16.2492 -16.1920 -16.1797 -16.1693 -16.0323 -16.0188 -15.9906 -15.9499 5.2984 5.3294 5.4485 5.4738 9.9986 10.0751 10.1966 10.2000 10.9127 11.1569 11.2828 11.4746 12.6578 12.6996 12.8479 12.8715 14.7796 14.8752 15.2043 15.3597 18.5237 18.7077 19.1841 19.3098 19.5903 19.6616 19.8111 19.8618 k = 0.2031 0.2167 1.1870 ( 2076 PWs) bands (ev): -51.7616 -51.7616 -51.7592 -51.7592 -24.7221 -24.7183 -24.7120 -24.7092 -16.2509 -16.1926 -16.1827 -16.1715 -16.0309 -16.0178 -15.9935 -15.9516 5.3108 5.3389 5.4484 5.4710 10.0282 10.1083 10.2185 10.2232 10.8902 11.1180 11.2473 11.4208 12.6584 12.6942 12.8474 12.8675 14.8006 14.8877 15.1991 15.3537 18.6258 18.8124 19.2334 19.3606 19.6020 19.6819 19.8235 19.8718 k = 0.2083 0.2041 1.2007 ( 2078 PWs) bands (ev): -51.7613 -51.7613 -51.7592 -51.7592 -24.7221 -24.7184 -24.7130 -24.7102 -16.2524 -16.1932 -16.1853 -16.1735 -16.0294 -16.0169 -15.9962 -15.9532 5.3229 5.3483 5.4474 5.4674 10.0576 10.1392 10.2373 10.2488 10.8690 11.0781 11.2167 11.3684 12.6598 12.6897 12.8474 12.8642 14.8234 14.9009 15.1916 15.3444 18.7292 18.9174 19.2877 19.4111 19.6127 19.7027 19.8373 19.8780 k = 0.2135 0.1915 1.2143 ( 2078 PWs) bands (ev): -51.7611 -51.7611 -51.7592 -51.7592 -24.7221 -24.7184 -24.7140 -24.7110 -16.2538 -16.1937 -16.1877 -16.1753 -16.0278 -16.0161 -15.9989 -15.9546 5.3349 5.3573 5.4456 5.4629 10.0869 10.1675 10.2540 10.2743 10.8496 11.0386 11.1904 11.3180 12.6619 12.6860 12.8475 12.8613 14.8476 14.9147 15.1823 15.3322 18.8336 19.0219 19.3455 19.4583 19.6225 19.7233 19.8538 19.8804 k = 0.2188 0.1789 1.2280 ( 2076 PWs) bands (ev): -51.7608 -51.7608 -51.7592 -51.7592 -24.7220 -24.7183 -24.7149 -24.7118 -16.2550 -16.1942 -16.1897 -16.1768 -16.0262 -16.0153 -16.0014 -15.9558 5.3466 5.3661 5.4431 5.4577 10.1160 10.1930 10.2680 10.2990 10.8321 11.0009 11.1679 11.2703 12.6645 12.6830 12.8475 12.8590 14.8726 14.9285 15.1715 15.3177 18.9383 19.1248 19.4050 19.4993 19.6316 19.7420 19.8711 19.8816 k = 0.2240 0.1663 1.2416 ( 2074 PWs) bands (ev): -51.7606 -51.7606 -51.7593 -51.7593 -24.7218 -24.7183 -24.7157 -24.7125 -16.2560 -16.1946 -16.1915 -16.1781 -16.0245 -16.0146 -16.0038 -15.9568 5.3580 5.3746 5.4399 5.4518 10.1446 10.2157 10.2786 10.3222 10.8168 10.9666 11.1490 11.2261 12.6673 12.6807 12.8471 12.8573 14.8979 14.9419 15.1597 15.3018 19.0423 19.2244 19.4637 19.5318 19.6402 19.7567 19.8683 19.8995 k = 0.2292 0.1537 1.2553 ( 2076 PWs) bands (ev): -51.7604 -51.7604 -51.7594 -51.7594 -24.7217 -24.7182 -24.7164 -24.7131 -16.2569 -16.1950 -16.1930 -16.1792 -16.0228 -16.0140 -16.0061 -15.9577 5.3691 5.3827 5.4360 5.4452 10.1723 10.2352 10.2853 10.3428 10.8037 10.9372 11.1335 11.1867 12.6701 12.6790 12.8464 12.8562 14.9224 14.9546 15.1475 15.2853 19.1440 19.3188 19.5178 19.5549 19.6488 19.7666 19.8557 19.9154 k = 0.2344 0.1411 1.2689 ( 2072 PWs) bands (ev): -51.7602 -51.7602 -51.7594 -51.7594 -24.7215 -24.7181 -24.7170 -24.7136 -16.2576 -16.1952 -16.1941 -16.1801 -16.0211 -16.0135 -16.0082 -15.9584 5.3798 5.3903 5.4314 5.4383 10.1984 10.2511 10.2875 10.3600 10.7931 10.9138 11.1213 11.1532 12.6726 12.6778 12.8454 12.8557 14.9451 14.9657 15.1356 15.2697 19.2410 19.4051 19.5627 19.5683 19.6584 19.7726 19.8373 19.9156 k = 0.2396 0.1285 1.2826 ( 2072 PWs) bands (ev): -51.7600 -51.7600 -51.7595 -51.7595 -24.7213 -24.7180 -24.7174 -24.7140 -16.2581 -16.1954 -16.1949 -16.1807 -16.0193 -16.0131 -16.0102 -15.9589 5.3900 5.3973 5.4259 5.4314 10.2220 10.2630 10.2851 10.3729 10.7851 10.8972 11.1125 11.1275 12.6746 12.6770 12.8445 12.8554 14.9643 14.9747 15.1250 15.2565 19.3290 19.4790 19.5711 19.5928 19.6699 19.7765 19.8147 19.8993 k = 0.2448 0.1159 1.2962 ( 2078 PWs) bands (ev): -51.7599 -51.7599 -51.7596 -51.7596 -24.7213 -24.7180 -24.7178 -24.7143 -16.2585 -16.1956 -16.1955 -16.1811 -16.0178 -16.0130 -16.0120 -15.9592 5.3995 5.4029 5.4193 5.4258 10.2417 10.2703 10.2786 10.3809 10.7800 10.8876 11.1072 11.1111 12.6759 12.6765 12.8438 12.8553 14.9777 14.9805 15.1172 15.2476 19.3992 19.5332 19.5631 19.6064 19.6806 19.7805 19.7929 19.8783 k = 0.2500 0.1033 1.3098 ( 2088 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7213 -24.7181 -24.7181 -24.7145 -16.2587 -16.1957 -16.1957 -16.1813 -16.0171 -16.0130 -16.0130 -15.9594 5.4054 5.4054 5.4142 5.4234 10.2519 10.2728 10.2728 10.3835 10.7782 10.8844 11.1055 11.1055 12.6764 12.6764 12.8436 12.8553 14.9825 14.9825 15.1143 15.2443 19.4300 19.5549 19.5549 19.6088 19.6852 19.7829 19.7829 19.8684 k = 0.2500 0.1033 1.3098 ( 2088 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7213 -24.7181 -24.7181 -24.7145 -16.2587 -16.1957 -16.1957 -16.1813 -16.0171 -16.0130 -16.0130 -15.9594 5.4054 5.4054 5.4142 5.4234 10.2519 10.2728 10.2728 10.3835 10.7782 10.8844 11.1055 11.1055 12.6764 12.6764 12.8436 12.8553 14.9825 14.9825 15.1143 15.2443 19.4300 19.5549 19.5549 19.6088 19.6852 19.7829 19.7829 19.8684 k = 0.2667 0.1101 1.3024 ( 2080 PWs) bands (ev): -51.7598 -51.7598 -51.7597 -51.7597 -24.7212 -24.7181 -24.7178 -24.7144 -16.2585 -16.1982 -16.1932 -16.1812 -16.0172 -16.0149 -16.0108 -15.9594 5.4045 5.4048 5.4153 5.4237 10.2507 10.2653 10.2815 10.3838 10.7791 10.8843 11.1003 11.1087 12.6728 12.6819 12.8433 12.8554 14.9775 14.9876 15.1141 15.2442 19.4255 19.5457 19.5622 19.6084 19.6845 19.7785 19.7880 19.8696 k = 0.2833 0.1170 1.2949 ( 2070 PWs) bands (ev): -51.7598 -51.7598 -51.7597 -51.7597 -24.7211 -24.7182 -24.7175 -24.7143 -16.2580 -16.2008 -16.1908 -16.1810 -16.0173 -16.0165 -16.0084 -15.9596 5.4024 5.4038 5.4173 5.4243 10.2489 10.2581 10.2904 10.3846 10.7819 10.8839 11.0933 11.1098 12.6712 12.6890 12.8426 12.8557 14.9728 14.9928 15.1133 15.2433 19.4140 19.5312 19.5703 19.6065 19.6827 19.7723 19.7951 19.8724 k = 0.3000 0.1239 1.2875 ( 2068 PWs) bands (ev): -51.7599 -51.7599 -51.7596 -51.7596 -24.7211 -24.7184 -24.7172 -24.7142 -16.2575 -16.2034 -16.1886 -16.1807 -16.0181 -16.0176 -16.0060 -15.9599 5.4000 5.4025 5.4194 5.4250 10.2472 10.2511 10.2990 10.3860 10.7868 10.8829 11.0844 11.1087 12.6719 12.6978 12.8413 12.8562 14.9686 14.9984 15.1115 15.2413 19.3984 19.5133 19.5766 19.6022 19.6802 19.7641 19.8034 19.8757 k = 0.3167 0.1308 1.2800 ( 2070 PWs) bands (ev): -51.7599 -51.7599 -51.7596 -51.7596 -24.7211 -24.7186 -24.7170 -24.7143 -16.2567 -16.2062 -16.1865 -16.1804 -16.0196 -16.0180 -16.0036 -15.9605 5.3978 5.4013 5.4213 5.4255 10.2445 10.2456 10.3070 10.3881 10.7936 10.8814 11.0737 11.1053 12.6747 12.7081 12.8397 12.8568 14.9653 15.0043 15.1087 15.2380 19.3805 19.4932 19.5792 19.5953 19.6777 19.7542 19.8117 19.8784 k = 0.3333 0.1377 1.2726 ( 2070 PWs) bands (ev): -51.7600 -51.7600 -51.7596 -51.7596 -24.7210 -24.7187 -24.7167 -24.7142 -16.2557 -16.2090 -16.1846 -16.1800 -16.0209 -16.0184 -16.0011 -15.9612 5.3958 5.4001 5.4227 5.4257 10.2385 10.2440 10.3145 10.3908 10.8025 10.8793 11.0614 11.0999 12.6797 12.7195 12.8377 12.8577 14.9629 15.0106 15.1047 15.2331 19.3619 19.4718 19.5772 19.5854 19.6754 19.7426 19.8190 19.8798 k = 0.3500 0.1446 1.2652 ( 2072 PWs) bands (ev): -51.7600 -51.7600 -51.7596 -51.7596 -24.7210 -24.7189 -24.7165 -24.7143 -16.2544 -16.2118 -16.1829 -16.1795 -16.0220 -16.0189 -15.9986 -15.9621 5.3941 5.3992 5.4237 5.4255 10.2329 10.2423 10.3218 10.3938 10.8132 10.8767 11.0478 11.0927 12.6867 12.7318 12.8354 12.8586 14.9616 15.0172 15.0995 15.2267 19.3432 19.4496 19.5704 19.5728 19.6734 19.7297 19.8243 19.8793 k = 0.3667 0.1514 1.2577 ( 2074 PWs) bands (ev): -51.7600 -51.7600 -51.7596 -51.7596 -24.7209 -24.7190 -24.7163 -24.7143 -16.2530 -16.2146 -16.1813 -16.1789 -16.0229 -16.0194 -15.9961 -15.9631 5.3927 5.3985 5.4242 5.4248 10.2280 10.2404 10.3288 10.3968 10.8255 10.8739 11.0333 11.0841 12.6954 12.7446 12.8330 12.8595 14.9614 15.0239 15.0935 15.2186 19.3251 19.4269 19.5575 19.5591 19.6713 19.7157 19.8269 19.8765 k = 0.3833 0.1583 1.2503 ( 2079 PWs) bands (ev): -51.7601 -51.7601 -51.7596 -51.7596 -24.7208 -24.7191 -24.7161 -24.7144 -16.2514 -16.2174 -16.1799 -16.1784 -16.0236 -16.0199 -15.9936 -15.9643 5.3916 5.3980 5.4237 5.4242 10.2236 10.2382 10.3356 10.3995 10.8391 10.8712 11.0186 11.0745 12.7057 12.7577 12.8305 12.8602 14.9623 15.0303 15.0869 15.2090 19.3079 19.4038 19.5399 19.5442 19.6683 19.7007 19.8264 19.8711 k = 0.4000 0.1652 1.2428 ( 2081 PWs) bands (ev): -51.7601 -51.7601 -51.7597 -51.7597 -24.7207 -24.7192 -24.7159 -24.7144 -16.2495 -16.2201 -16.1786 -16.1777 -16.0241 -16.0204 -15.9911 -15.9657 5.3909 5.3978 5.4222 5.4237 10.2199 10.2354 10.3422 10.4013 10.8536 10.8691 11.0044 11.0643 12.7172 12.7704 12.8282 12.8607 14.9643 15.0358 15.0806 15.1979 19.2920 19.3806 19.5204 19.5266 19.6639 19.6849 19.8226 19.8627 k = 0.4167 0.1721 1.2354 ( 2082 PWs) bands (ev): -51.7601 -51.7601 -51.7597 -51.7597 -24.7205 -24.7193 -24.7156 -24.7144 -16.2475 -16.2228 -16.1774 -16.1770 -16.0244 -16.0210 -15.9885 -15.9672 5.3906 5.3979 5.4201 5.4227 10.2167 10.2321 10.3486 10.4017 10.8680 10.8681 10.9918 11.0538 12.7295 12.7820 12.8265 12.8608 14.9673 15.0383 15.0766 15.1854 19.2774 19.3570 19.4996 19.5068 19.6575 19.6687 19.8158 19.8512 k = 0.4333 0.1790 1.2279 ( 2084 PWs) bands (ev): -51.7601 -51.7601 -51.7598 -51.7598 -24.7203 -24.7193 -24.7154 -24.7144 -16.2453 -16.2254 -16.1765 -16.1763 -16.0245 -16.0215 -15.9860 -15.9688 5.3906 5.3981 5.4177 5.4212 10.2140 10.2281 10.3545 10.4002 10.8687 10.8811 10.9827 11.0436 12.7425 12.7913 12.8266 12.8604 14.9712 15.0359 15.0770 15.1717 19.2640 19.3327 19.4778 19.4855 19.6491 19.6525 19.8062 19.8365 k = 0.4500 0.1859 1.2205 ( 2083 PWs) bands (ev): -51.7601 -51.7601 -51.7598 -51.7598 -24.7201 -24.7193 -24.7152 -24.7145 -16.2428 -16.2278 -16.1756 -16.1756 -16.0244 -16.0220 -15.9836 -15.9705 5.3910 5.3982 5.4151 5.4192 10.2118 10.2236 10.3598 10.3964 10.8714 10.8906 10.9797 11.0341 12.7555 12.7964 12.8299 12.8594 14.9760 15.0286 15.0819 15.1568 19.2517 19.3072 19.4554 19.4629 19.6368 19.6386 19.7944 19.8189 k = 0.4667 0.1927 1.2130 ( 2083 PWs) bands (ev): -51.7601 -51.7601 -51.7599 -51.7599 -24.7198 -24.7193 -24.7150 -24.7145 -16.2402 -16.2302 -16.1750 -16.1749 -16.0242 -16.0225 -15.9811 -15.9724 5.3917 5.3979 5.4126 5.4167 10.2098 10.2183 10.3642 10.3899 10.8764 10.8946 10.9850 11.0258 12.7684 12.7971 12.8367 12.8579 14.9815 15.0185 15.0894 15.1411 19.2401 19.2798 19.4329 19.4392 19.6221 19.6262 19.7813 19.7988 k = 0.4833 0.1996 1.2056 ( 2084 PWs) bands (ev): -51.7601 -51.7601 -51.7600 -51.7600 -24.7196 -24.7193 -24.7147 -24.7145 -16.2375 -16.2325 -16.1743 -16.1743 -16.0239 -16.0230 -15.9787 -15.9743 5.3925 5.3964 5.4111 5.4139 10.2078 10.2124 10.3673 10.3807 10.8835 10.8942 10.9979 11.0195 12.7805 12.7949 12.8451 12.8559 14.9877 15.0068 15.0983 15.1248 19.2286 19.2498 19.4106 19.4144 19.6090 19.6124 19.7680 19.7774 k = 0.5000 0.2065 1.1981 ( 2082 PWs) bands (ev): -51.7600 -51.7600 -51.7600 -51.7600 -24.7193 -24.7193 -24.7145 -24.7145 -16.2346 -16.2346 -16.1737 -16.1737 -16.0233 -16.0233 -15.9763 -15.9763 5.3931 5.3931 5.4111 5.4111 10.2058 10.2058 10.3689 10.3689 10.8922 10.8922 11.0159 11.0159 12.7913 12.7913 12.8537 12.8537 14.9942 14.9942 15.1080 15.1080 19.2164 19.2164 19.3884 19.3884 19.5977 19.5977 19.7560 19.7560 k = 0.5000 0.2065 1.1981 ( 2082 PWs) bands (ev): -51.7600 -51.7600 -51.7600 -51.7600 -24.7193 -24.7193 -24.7145 -24.7145 -16.2346 -16.2346 -16.1737 -16.1737 -16.0233 -16.0233 -15.9763 -15.9763 5.3931 5.3931 5.4111 5.4111 10.2058 10.2058 10.3689 10.3689 10.8922 10.8922 11.0159 11.0159 12.7913 12.7913 12.8537 12.8537 14.9942 14.9942 15.1080 15.1080 19.2164 19.2164 19.3884 19.3884 19.5977 19.5977 19.7560 19.7560 k = 0.5000 0.2065 1.1788 ( 2092 PWs) bands (ev): -51.7602 -51.7602 -51.7602 -51.7602 -24.7190 -24.7190 -24.7142 -24.7142 -16.2334 -16.2334 -16.1724 -16.1724 -16.0233 -16.0233 -15.9760 -15.9760 5.3878 5.3878 5.4084 5.4084 10.1940 10.1940 10.3525 10.3525 10.9030 10.9030 11.0396 11.0396 12.7988 12.7988 12.8626 12.8626 14.9854 14.9854 15.0988 15.0988 19.1533 19.1533 19.3246 19.3246 19.5621 19.5621 19.7118 19.7118 k = 0.5000 0.2065 1.1595 ( 2090 PWs) bands (ev): -51.7603 -51.7603 -51.7603 -51.7603 -24.7185 -24.7185 -24.7137 -24.7137 -16.2320 -16.2320 -16.1707 -16.1707 -16.0230 -16.0230 -15.9755 -15.9755 5.3816 5.3816 5.4047 5.4047 10.1820 10.1820 10.3359 10.3359 10.9158 10.9158 11.0636 11.0636 12.8069 12.8069 12.8727 12.8727 14.9754 14.9754 15.0883 15.0883 19.0892 19.0892 19.2605 19.2605 19.5229 19.5229 19.6633 19.6633 k = 0.5000 0.2065 1.1402 ( 2102 PWs) bands (ev): -51.7604 -51.7604 -51.7604 -51.7604 -24.7181 -24.7181 -24.7133 -24.7133 -16.2305 -16.2305 -16.1689 -16.1689 -16.0229 -16.0229 -15.9751 -15.9751 5.3744 5.3744 5.3999 5.3999 10.1703 10.1703 10.3198 10.3198 10.9301 10.9301 11.0875 11.0875 12.8152 12.8152 12.8837 12.8837 14.9643 14.9643 15.0764 15.0764 19.0250 19.0250 19.1971 19.1971 19.4817 19.4817 19.6131 19.6131 k = 0.5000 0.2065 1.1208 ( 2088 PWs) bands (ev): -51.7605 -51.7605 -51.7605 -51.7605 -24.7174 -24.7174 -24.7126 -24.7126 -16.2285 -16.2285 -16.1666 -16.1666 -16.0225 -16.0225 -15.9744 -15.9744 5.3662 5.3662 5.3940 5.3940 10.1595 10.1595 10.3048 10.3048 10.9457 10.9457 11.1111 11.1111 12.8237 12.8237 12.8956 12.8956 14.9525 14.9525 15.0635 15.0635 18.9615 18.9615 19.1352 19.1352 19.4400 19.4400 19.5632 19.5632 k = 0.5000 0.2065 1.1015 ( 2096 PWs) bands (ev): -51.7607 -51.7607 -51.7607 -51.7607 -24.7169 -24.7169 -24.7120 -24.7120 -16.2266 -16.2266 -16.1643 -16.1643 -16.0223 -16.0223 -15.9738 -15.9738 5.3567 5.3567 5.3868 5.3868 10.1499 10.1499 10.2914 10.2914 10.9621 10.9621 11.1343 11.1343 12.8320 12.8320 12.9080 12.9080 14.9398 14.9398 15.0495 15.0495 18.8989 18.8989 19.0751 19.0751 19.3990 19.3990 19.5149 19.5149 k = 0.5000 0.2065 1.0822 ( 2088 PWs) bands (ev): -51.7609 -51.7609 -51.7609 -51.7609 -24.7161 -24.7161 -24.7113 -24.7113 -16.2243 -16.2243 -16.1617 -16.1617 -16.0219 -16.0219 -15.9730 -15.9730 5.3460 5.3460 5.3781 5.3781 10.1420 10.1420 10.2801 10.2801 10.9792 10.9792 11.1567 11.1567 12.8400 12.8400 12.9207 12.9207 14.9266 14.9266 15.0347 15.0347 18.8378 18.8378 19.0171 19.0171 19.3595 19.3595 19.4691 19.4691 k = 0.5000 0.2065 1.0629 ( 2080 PWs) bands (ev): -51.7610 -51.7610 -51.7610 -51.7610 -24.7153 -24.7153 -24.7105 -24.7105 -16.2218 -16.2218 -16.1589 -16.1589 -16.0215 -16.0215 -15.9722 -15.9722 5.3338 5.3338 5.3678 5.3678 10.1362 10.1362 10.2712 10.2712 10.9968 10.9968 11.1783 11.1783 12.8474 12.8474 12.9334 12.9334 14.9132 14.9132 15.0192 15.0192 18.7783 18.7783 18.9611 18.9611 19.3222 19.3222 19.4261 19.4261 k = 0.5000 0.2065 1.0435 ( 2080 PWs) bands (ev): -51.7612 -51.7612 -51.7612 -51.7612 -24.7145 -24.7145 -24.7097 -24.7097 -16.2193 -16.2193 -16.1559 -16.1559 -16.0211 -16.0211 -15.9714 -15.9714 5.3201 5.3201 5.3559 5.3559 10.1328 10.1328 10.2652 10.2652 11.0146 11.0146 11.1991 11.1991 12.8543 12.8543 12.9458 12.9458 14.8997 14.8997 15.0033 15.0033 18.7208 18.7208 18.9070 18.9070 19.2875 19.2875 19.3862 19.3862 k = 0.5000 0.2065 1.0242 ( 2078 PWs) bands (ev): -51.7614 -51.7614 -51.7614 -51.7614 -24.7137 -24.7137 -24.7088 -24.7088 -16.2166 -16.2166 -16.1527 -16.1527 -16.0207 -16.0207 -15.9705 -15.9705 5.3047 5.3047 5.3421 5.3421 10.1322 10.1322 10.2624 10.2624 11.0325 11.0325 11.2189 11.2189 12.8603 12.8603 12.9578 12.9578 14.8864 14.8864 14.9871 14.9871 18.6652 18.6652 18.8548 18.8548 19.2559 19.2559 19.3492 19.3492 k = 0.5000 0.2065 1.0049 ( 2078 PWs) bands (ev): -51.7617 -51.7617 -51.7617 -51.7617 -24.7128 -24.7128 -24.7079 -24.7079 -16.2137 -16.2137 -16.1493 -16.1493 -16.0203 -16.0203 -15.9695 -15.9695 5.2875 5.2875 5.3265 5.3265 10.1346 10.1346 10.2630 10.2630 11.0505 11.0505 11.2377 11.2377 12.8655 12.8655 12.9690 12.9690 14.8736 14.8736 14.9709 14.9709 18.6118 18.6118 18.8041 18.8041 19.2274 19.2274 19.3150 19.3150 k = 0.5000 0.2065 0.9856 ( 2082 PWs) bands (ev): -51.7619 -51.7619 -51.7619 -51.7619 -24.7119 -24.7119 -24.7070 -24.7070 -16.2107 -16.2107 -16.1458 -16.1458 -16.0199 -16.0199 -15.9685 -15.9685 5.2685 5.2685 5.3087 5.3087 10.1404 10.1404 10.2673 10.2673 11.0683 11.0683 11.2556 11.2556 12.8696 12.8696 12.9792 12.9792 14.8615 14.8615 14.9550 14.9550 18.5605 18.5605 18.7549 18.7549 19.2020 19.2020 19.2833 19.2833 k = 0.5000 0.2065 0.9662 ( 2086 PWs) bands (ev): -51.7622 -51.7622 -51.7622 -51.7622 -24.7109 -24.7109 -24.7061 -24.7061 -16.2076 -16.2076 -16.1421 -16.1421 -16.0194 -16.0194 -15.9675 -15.9675 5.2474 5.2474 5.2889 5.2889 10.1497 10.1497 10.2754 10.2754 11.0861 11.0861 11.2724 11.2724 12.8727 12.8727 12.9884 12.9884 14.8502 14.8502 14.9397 14.9397 18.5113 18.5113 18.7070 18.7070 19.1795 19.1795 19.2536 19.2536 k = 0.5000 0.2065 0.9469 ( 2094 PWs) bands (ev): -51.7625 -51.7625 -51.7625 -51.7625 -24.7100 -24.7100 -24.7051 -24.7051 -16.2043 -16.2043 -16.1382 -16.1382 -16.0190 -16.0190 -15.9664 -15.9664 5.2242 5.2242 5.2670 5.2670 10.1628 10.1628 10.2875 10.2875 11.1037 11.1037 11.2882 11.2882 12.8746 12.8746 12.9964 12.9964 14.8401 14.8401 14.9251 14.9251 18.4643 18.4643 18.6605 18.6605 19.1593 19.1593 19.2254 19.2254 k = 0.5000 0.2065 0.9276 ( 2088 PWs) bands (ev): -51.7627 -51.7627 -51.7627 -51.7627 -24.7089 -24.7089 -24.7040 -24.7040 -16.2008 -16.2008 -16.1341 -16.1341 -16.0185 -16.0185 -15.9652 -15.9652 5.1989 5.1989 5.2428 5.2428 10.1798 10.1798 10.3038 10.3038 11.1211 11.1211 11.3031 11.3031 12.8754 12.8754 13.0033 13.0033 14.8313 14.8313 14.9115 14.9115 18.4194 18.4194 18.6153 18.6153 19.1410 19.1410 19.1984 19.1984 k = 0.5000 0.2065 0.9083 ( 2096 PWs) bands (ev): -51.7630 -51.7630 -51.7630 -51.7630 -24.7078 -24.7078 -24.7030 -24.7030 -16.1973 -16.1973 -16.1299 -16.1299 -16.0180 -16.0180 -15.9639 -15.9639 5.1715 5.1715 5.2163 5.2163 10.2009 10.2009 10.3242 10.3242 11.1382 11.1382 11.3169 11.3169 12.8752 12.8752 13.0089 13.0089 14.8237 14.8237 14.8991 14.8991 18.3767 18.3767 18.5715 18.5715 19.1237 19.1237 19.1719 19.1719 k = 0.5000 0.2065 0.8889 ( 2096 PWs) bands (ev): -51.7633 -51.7633 -51.7633 -51.7633 -24.7067 -24.7067 -24.7018 -24.7018 -16.1936 -16.1936 -16.1255 -16.1255 -16.0174 -16.0174 -15.9626 -15.9626 5.1418 5.1418 5.1876 5.1876 10.2261 10.2261 10.3488 10.3488 11.1551 11.1551 11.3299 11.3299 12.8739 12.8739 13.0133 13.0133 14.8176 14.8176 14.8881 14.8881 18.3362 18.3362 18.5291 18.5291 19.1062 19.1062 19.1460 19.1460 k = 0.5000 0.2065 0.8696 ( 2100 PWs) bands (ev): -51.7636 -51.7636 -51.7636 -51.7636 -24.7055 -24.7055 -24.7007 -24.7007 -16.1898 -16.1898 -16.1210 -16.1210 -16.0168 -16.0168 -15.9612 -15.9612 5.1099 5.1099 5.1567 5.1567 10.2555 10.2555 10.3777 10.3777 11.1717 11.1717 11.3420 11.3420 12.8718 12.8718 13.0168 13.0168 14.8127 14.8127 14.8785 14.8785 18.2978 18.2978 18.4883 18.4883 19.0872 19.0872 19.1207 19.1207 k = 0.5000 0.2065 0.8503 ( 2096 PWs) bands (ev): -51.7639 -51.7639 -51.7639 -51.7639 -24.7043 -24.7043 -24.6994 -24.6994 -16.1858 -16.1858 -16.1162 -16.1162 -16.0162 -16.0162 -15.9597 -15.9597 5.0758 5.0758 5.1235 5.1235 10.2891 10.2891 10.4108 10.4108 11.1879 11.1879 11.3533 11.3533 12.8689 12.8689 13.0194 13.0194 14.8091 14.8091 14.8706 14.8706 18.2616 18.2616 18.4492 18.4492 19.0647 19.0647 19.0967 19.0967 k = 0.5000 0.2065 0.8310 ( 2090 PWs) bands (ev): -51.7642 -51.7642 -51.7642 -51.7642 -24.7029 -24.7029 -24.6981 -24.6981 -16.1817 -16.1817 -16.1113 -16.1113 -16.0155 -16.0155 -15.9582 -15.9582 5.0396 5.0396 5.0882 5.0882 10.3268 10.3268 10.4479 10.4479 11.2039 11.2039 11.3638 11.3638 12.8655 12.8655 13.0214 13.0214 14.8067 14.8067 14.8644 14.8644 18.2277 18.2277 18.4120 18.4120 19.0378 19.0378 19.0740 19.0740 k = 0.5000 0.2065 0.8116 ( 2090 PWs) bands (ev): -51.7645 -51.7645 -51.7645 -51.7645 -24.7016 -24.7016 -24.6968 -24.6968 -16.1775 -16.1775 -16.1064 -16.1064 -16.0148 -16.0148 -15.9566 -15.9566 5.0013 5.0013 5.0508 5.0508 10.3686 10.3686 10.4891 10.4891 11.2195 11.2195 11.3736 11.3736 12.8619 12.8619 13.0230 13.0230 14.8052 14.8052 14.8598 14.8598 18.1960 18.1960 18.3767 18.3767 19.0068 19.0068 19.0514 19.0514 k = 0.5000 0.2065 0.7923 ( 2090 PWs) bands (ev): -51.7649 -51.7649 -51.7649 -51.7649 -24.7003 -24.7003 -24.6955 -24.6955 -16.1733 -16.1733 -16.1014 -16.1014 -16.0141 -16.0141 -15.9550 -15.9550 4.9611 4.9611 5.0114 5.0114 10.4144 10.4144 10.5340 10.5340 11.2348 11.2348 11.3827 11.3827 12.8583 12.8583 13.0245 13.0245 14.8044 14.8044 14.8569 14.8569 18.1666 18.1666 18.3435 18.3435 18.9724 18.9724 19.0275 19.0275 k = 0.5000 0.2065 0.7730 ( 2092 PWs) bands (ev): -51.7652 -51.7652 -51.7652 -51.7652 -24.6990 -24.6990 -24.6942 -24.6942 -16.1689 -16.1689 -16.0962 -16.0962 -16.0134 -16.0134 -15.9534 -15.9534 4.9189 4.9189 4.9701 4.9701 10.4639 10.4639 10.5826 10.5826 11.2498 11.2498 11.3913 11.3913 12.8549 12.8549 13.0260 13.0260 14.8043 14.8043 14.8555 14.8555 18.1396 18.1396 18.3126 18.3126 18.9351 18.9351 19.0014 19.0014 k = 0.5000 0.2065 0.7537 ( 2096 PWs) bands (ev): -51.7655 -51.7655 -51.7655 -51.7655 -24.6977 -24.6977 -24.6929 -24.6929 -16.1646 -16.1646 -16.0911 -16.0911 -16.0127 -16.0127 -15.9517 -15.9517 4.8750 4.8750 4.9271 4.9271 10.5170 10.5170 10.6345 10.6345 11.2646 11.2646 11.3994 11.3994 12.8521 12.8521 13.0280 13.0280 14.8047 14.8047 14.8554 14.8554 18.1151 18.1151 18.2841 18.2841 18.8952 18.8952 18.9727 18.9727 k = 0.5000 0.2065 0.7343 ( 2096 PWs) bands (ev): -51.7659 -51.7659 -51.7659 -51.7659 -24.6963 -24.6963 -24.6915 -24.6915 -16.1601 -16.1601 -16.0858 -16.0858 -16.0119 -16.0119 -15.9500 -15.9500 4.8294 4.8294 4.8823 4.8823 10.5734 10.5734 10.6895 10.6895 11.2792 11.2792 11.4072 11.4072 12.8502 12.8502 13.0307 13.0307 14.8054 14.8054 14.8564 14.8564 18.0930 18.0930 18.2582 18.2582 18.8530 18.8530 18.9412 18.9412 k = 0.5000 0.2065 0.7150 ( 2092 PWs) bands (ev): -51.7662 -51.7662 -51.7662 -51.7662 -24.6948 -24.6948 -24.6901 -24.6901 -16.1556 -16.1556 -16.0804 -16.0804 -16.0110 -16.0110 -15.9481 -15.9481 4.7824 4.7824 4.8361 4.8361 10.6329 10.6329 10.7471 10.7471 11.2938 11.2938 11.4147 11.4147 12.8494 12.8494 13.0343 13.0343 14.8065 14.8065 14.8582 14.8582 18.0736 18.0736 18.2350 18.2350 18.8085 18.8085 18.9068 18.9068 k = 0.5000 0.2065 0.6957 ( 2096 PWs) bands (ev): -51.7666 -51.7666 -51.7666 -51.7666 -24.6934 -24.6934 -24.6888 -24.6888 -16.1511 -16.1511 -16.0751 -16.0751 -16.0102 -16.0102 -15.9464 -15.9464 4.7341 4.7341 4.7885 4.7885 10.6951 10.6951 10.8069 10.8069 11.3085 11.3085 11.4222 11.4222 12.8502 12.8502 13.0391 13.0391 14.8077 14.8077 14.8604 14.8604 18.0567 18.0567 18.2145 18.2145 18.7621 18.7621 18.8697 18.8697 k = 0.5000 0.2065 0.6764 ( 2100 PWs) bands (ev): -51.7669 -51.7669 -51.7669 -51.7669 -24.6920 -24.6920 -24.6874 -24.6874 -16.1466 -16.1466 -16.0698 -16.0698 -16.0093 -16.0093 -15.9445 -15.9445 4.6846 4.6846 4.7396 4.7396 10.7596 10.7596 10.8683 10.8683 11.3237 11.3237 11.4298 11.4298 12.8527 12.8527 13.0453 13.0453 14.8091 14.8091 14.8628 14.8628 18.0426 18.0426 18.1970 18.1970 18.7138 18.7138 18.8300 18.8300 k = 0.5000 0.2065 0.6570 ( 2100 PWs) bands (ev): -51.7673 -51.7673 -51.7673 -51.7673 -24.6906 -24.6906 -24.6860 -24.6860 -16.1420 -16.1420 -16.0645 -16.0645 -16.0083 -16.0083 -15.9426 -15.9426 4.6342 4.6342 4.6897 4.6897 10.8258 10.8258 10.9305 10.9305 11.3397 11.3397 11.4379 11.4379 12.8572 12.8572 13.0532 13.0532 14.8107 14.8107 14.8652 14.8652 18.0313 18.0313 18.1823 18.1823 18.6640 18.6640 18.7881 18.7881 k = 0.5000 0.2065 0.6377 ( 2100 PWs) bands (ev): -51.7676 -51.7676 -51.7676 -51.7676 -24.6891 -24.6891 -24.6846 -24.6846 -16.1374 -16.1374 -16.0592 -16.0592 -16.0072 -16.0072 -15.9406 -15.9406 4.5830 4.5830 4.6390 4.6390 10.8933 10.8933 10.9924 10.9924 11.3572 11.3572 11.4468 11.4468 12.8638 12.8638 13.0629 13.0629 14.8122 14.8122 14.8672 14.8672 18.0229 18.0229 18.1707 18.1707 18.6128 18.6128 18.7442 18.7442 k = 0.5000 0.2065 0.6184 ( 2094 PWs) bands (ev): -51.7680 -51.7680 -51.7680 -51.7680 -24.6876 -24.6876 -24.6831 -24.6831 -16.1328 -16.1328 -16.0539 -16.0539 -16.0059 -16.0059 -15.9386 -15.9386 4.5312 4.5312 4.5875 4.5875 10.9611 10.9611 11.0529 11.0529 11.3772 11.3772 11.4572 11.4572 12.8729 12.8729 13.0746 13.0746 14.8138 14.8138 14.8689 14.8689 18.0174 18.0174 18.1620 18.1620 18.5606 18.5606 18.6988 18.6988 k = 0.5000 0.2065 0.5991 ( 2090 PWs) bands (ev): -51.7683 -51.7683 -51.7683 -51.7683 -24.6861 -24.6861 -24.6817 -24.6817 -16.1282 -16.1282 -16.0489 -16.0489 -16.0045 -16.0045 -15.9365 -15.9365 4.4790 4.4790 4.5355 4.5355 11.0283 11.0283 11.1100 11.1100 11.4008 11.4008 11.4700 11.4700 12.8844 12.8844 13.0884 13.0884 14.8152 14.8152 14.8699 14.8699 18.0148 18.0148 18.1562 18.1562 18.5076 18.5076 18.6523 18.6523 k = 0.5000 0.2065 0.5797 ( 2090 PWs) bands (ev): -51.7686 -51.7686 -51.7686 -51.7686 -24.6846 -24.6846 -24.6803 -24.6803 -16.1236 -16.1236 -16.0440 -16.0440 -16.0029 -16.0029 -15.9345 -15.9345 4.4265 4.4265 4.4831 4.4831 11.0932 11.0932 11.1620 11.1620 11.4292 11.4292 11.4869 11.4869 12.8984 12.8984 13.1043 13.1043 14.8165 14.8165 14.8704 14.8704 18.0151 18.0151 18.1531 18.1531 18.4542 18.4542 18.6052 18.6052 k = 0.5000 0.2065 0.5604 ( 2086 PWs) bands (ev): -51.7690 -51.7690 -51.7690 -51.7690 -24.6832 -24.6832 -24.6789 -24.6789 -16.1190 -16.1190 -16.0394 -16.0394 -16.0011 -16.0011 -15.9324 -15.9324 4.3740 4.3740 4.4305 4.4305 11.1534 11.1534 11.2076 11.2076 11.4624 11.4624 11.5110 11.5110 12.9150 12.9150 13.1224 13.1224 14.8177 14.8177 14.8703 14.8703 18.0182 18.0182 18.1524 18.1524 18.4005 18.4005 18.5580 18.5580 k = 0.5000 0.2065 0.5411 ( 2084 PWs) bands (ev): -51.7693 -51.7693 -51.7693 -51.7693 -24.6817 -24.6817 -24.6775 -24.6775 -16.1145 -16.1145 -16.0352 -16.0352 -15.9990 -15.9990 -15.9304 -15.9304 4.3216 4.3216 4.3779 4.3779 11.2050 11.2050 11.2473 11.2473 11.4987 11.4987 11.5464 11.5464 12.9340 12.9340 13.1427 13.1427 14.8188 14.8188 14.8697 14.8697 18.0238 18.0238 18.1536 18.1536 18.3472 18.3472 18.5117 18.5117 k = 0.5000 0.2065 0.5218 ( 2092 PWs) bands (ev): -51.7697 -51.7697 -51.7697 -51.7697 -24.6804 -24.6804 -24.6763 -24.6763 -16.1101 -16.1101 -16.0314 -16.0314 -15.9967 -15.9967 -15.9284 -15.9284 4.2695 4.2695 4.3255 4.3255 11.2440 11.2440 11.2836 11.2836 11.5384 11.5384 11.5940 11.5940 12.9554 12.9554 13.1649 13.1649 14.8198 14.8198 14.8688 14.8688 18.0316 18.0316 18.1558 18.1558 18.2949 18.2949 18.4672 18.4672 k = 0.5000 0.2065 0.5024 ( 2088 PWs) bands (ev): -51.7700 -51.7700 -51.7700 -51.7700 -24.6789 -24.6789 -24.6749 -24.6749 -16.1057 -16.1057 -16.0279 -16.0279 -15.9939 -15.9939 -15.9263 -15.9263 4.2178 4.2178 4.2733 4.2733 11.2709 11.2709 11.3161 11.3161 11.5843 11.5843 11.6503 11.6503 12.9789 12.9789 13.1891 13.1891 14.8207 14.8207 14.8678 14.8678 18.0406 18.0406 18.1577 18.1577 18.2447 18.2447 18.4265 18.4265 k = 0.5000 0.2065 0.4831 ( 2092 PWs) bands (ev): -51.7703 -51.7703 -51.7703 -51.7703 -24.6776 -24.6776 -24.6736 -24.6736 -16.1013 -16.1013 -16.0250 -16.0250 -15.9907 -15.9907 -15.9243 -15.9243 4.1668 4.1668 4.2217 4.2217 11.2902 11.2902 11.3424 11.3424 11.6374 11.6374 11.7116 11.7116 13.0043 13.0043 13.2148 13.2148 14.8216 14.8216 14.8669 14.8669 18.0480 18.0480 18.1565 18.1565 18.1994 18.1994 18.3923 18.3923 k = 0.5000 0.2065 0.4638 ( 2096 PWs) bands (ev): -51.7706 -51.7706 -51.7706 -51.7706 -24.6762 -24.6762 -24.6724 -24.6724 -16.0971 -16.0971 -16.0227 -16.0227 -15.9871 -15.9871 -15.9223 -15.9223 4.1166 4.1166 4.1707 4.1707 11.3050 11.3050 11.3626 11.3626 11.6964 11.6964 11.7754 11.7754 13.0312 13.0312 13.2417 13.2417 14.8228 14.8228 14.8667 14.8667 18.0473 18.0473 18.1489 18.1489 18.1659 18.1659 18.3682 18.3682 k = 0.5000 0.2065 0.4445 ( 2092 PWs) bands (ev): -51.7709 -51.7709 -51.7709 -51.7709 -24.6748 -24.6748 -24.6711 -24.6711 -16.0928 -16.0928 -16.0206 -16.0206 -15.9832 -15.9832 -15.9203 -15.9203 4.0674 4.0674 4.1204 4.1204 11.3172 11.3172 11.3781 11.3781 11.7593 11.7593 11.8402 11.8402 13.0592 13.0592 13.2694 13.2694 14.8243 14.8243 14.8674 14.8674 18.0283 18.0283 18.1304 18.1304 18.1560 18.1560 18.3574 18.3574 k = 0.5000 0.2065 0.4251 ( 2090 PWs) bands (ev): -51.7712 -51.7712 -51.7712 -51.7712 -24.6735 -24.6735 -24.6699 -24.6699 -16.0887 -16.0887 -16.0190 -16.0190 -15.9791 -15.9791 -15.9184 -15.9184 4.0192 4.0192 4.0711 4.0711 11.3276 11.3276 11.3903 11.3903 11.8241 11.8241 11.9051 11.9051 13.0877 13.0877 13.2972 13.2972 14.8264 14.8264 14.8694 14.8694 17.9931 17.9931 18.1031 18.1031 18.1660 18.1660 18.3597 18.3597 k = 0.5000 0.2065 0.4058 ( 2090 PWs) bands (ev): -51.7715 -51.7715 -51.7715 -51.7715 -24.6722 -24.6722 -24.6687 -24.6687 -16.0847 -16.0847 -16.0177 -16.0177 -15.9747 -15.9747 -15.9165 -15.9165 3.9722 3.9722 4.0229 4.0229 11.3369 11.3369 11.4004 11.4004 11.8897 11.8897 11.9694 11.9694 13.1163 13.1163 13.3244 13.3244 14.8294 14.8294 14.8731 14.8731 17.9513 17.9513 18.0696 18.0696 18.1865 18.1865 18.3725 18.3725 k = 0.5000 0.2065 0.3865 ( 2092 PWs) bands (ev): -51.7718 -51.7718 -51.7718 -51.7718 -24.6710 -24.6710 -24.6676 -24.6676 -16.0807 -16.0807 -16.0167 -16.0167 -15.9703 -15.9703 -15.9147 -15.9147 3.9267 3.9267 3.9759 3.9759 11.3453 11.3453 11.4089 11.4089 11.9552 11.9552 12.0328 12.0328 13.1442 13.1442 13.3503 13.3503 14.8339 14.8339 14.8786 14.8786 17.9083 17.9083 18.0327 18.0327 18.2125 18.2125 18.3927 18.3927 k = 0.5000 0.2065 0.3672 ( 2080 PWs) bands (ev): -51.7720 -51.7720 -51.7720 -51.7720 -24.6696 -24.6696 -24.6664 -24.6664 -16.0768 -16.0768 -16.0158 -16.0158 -15.9657 -15.9657 -15.9128 -15.9128 3.8826 3.8826 3.9303 3.9303 11.3532 11.3532 11.4165 11.4165 12.0199 12.0199 12.0949 12.0949 13.1710 13.1710 13.3741 13.3741 14.8402 14.8402 14.8862 14.8862 17.8661 17.8661 17.9947 17.9947 18.2424 18.2424 18.4181 18.4181 k = 0.5000 0.2065 0.3478 ( 2084 PWs) bands (ev): -51.7723 -51.7723 -51.7723 -51.7723 -24.6685 -24.6685 -24.6654 -24.6654 -16.0731 -16.0731 -16.0152 -16.0152 -15.9612 -15.9612 -15.9111 -15.9111 3.8401 3.8401 3.8862 3.8862 11.3607 11.3607 11.4233 11.4233 12.0837 12.0837 12.1556 12.1556 13.1959 13.1959 13.3950 13.3950 14.8487 14.8487 14.8959 14.8959 17.8257 17.8257 17.9568 17.9568 18.2749 18.2749 18.4472 18.4472 k = 0.5000 0.2065 0.3285 ( 2080 PWs) bands (ev): -51.7726 -51.7726 -51.7726 -51.7726 -24.6673 -24.6673 -24.6644 -24.6644 -16.0694 -16.0694 -16.0148 -16.0148 -15.9567 -15.9567 -15.9095 -15.9095 3.7994 3.7994 3.8436 3.8436 11.3680 11.3680 11.4296 11.4296 12.1463 12.1463 12.2150 12.2150 13.2183 13.2183 13.4122 13.4122 14.8598 14.8598 14.9078 14.9078 17.7879 17.7879 17.9202 17.9202 18.3097 18.3097 18.4792 18.4792 k = 0.5000 0.2065 0.3092 ( 2076 PWs) bands (ev): -51.7728 -51.7728 -51.7728 -51.7728 -24.6662 -24.6662 -24.6634 -24.6634 -16.0658 -16.0658 -16.0144 -16.0144 -15.9523 -15.9523 -15.9079 -15.9079 3.7605 3.7605 3.8028 3.8028 11.3751 11.3751 11.4354 11.4354 12.2076 12.2076 12.2729 12.2729 13.2377 13.2377 13.4251 13.4251 14.8737 14.8737 14.9218 14.9218 17.7530 17.7530 17.8853 17.8853 18.3464 18.3464 18.5133 18.5133 k = 0.5000 0.2065 0.2899 ( 2076 PWs) bands (ev): -51.7730 -51.7730 -51.7730 -51.7730 -24.6652 -24.6652 -24.6625 -24.6625 -16.0624 -16.0624 -16.0143 -16.0143 -15.9480 -15.9480 -15.9065 -15.9065 3.7236 3.7236 3.7638 3.7638 11.3821 11.3821 11.4407 11.4407 12.2675 12.2675 12.3293 12.3293 13.2536 13.2536 13.4332 13.4332 14.8902 14.8902 14.9377 14.9377 17.7213 17.7213 17.8527 17.8527 18.3847 18.3847 18.5489 18.5489 k = 0.5000 0.2065 0.2705 ( 2080 PWs) bands (ev): -51.7733 -51.7733 -51.7733 -51.7733 -24.6642 -24.6642 -24.6617 -24.6617 -16.0592 -16.0592 -16.0143 -16.0143 -15.9439 -15.9439 -15.9052 -15.9052 3.6887 3.6887 3.7268 3.7268 11.3889 11.3889 11.4457 11.4457 12.3262 12.3262 12.3845 12.3845 13.2657 13.2657 13.4362 13.4362 14.9093 14.9093 14.9553 14.9553 17.6931 17.6931 17.8225 17.8225 18.4241 18.4241 18.5855 18.5855 k = 0.5000 0.2065 0.2512 ( 2086 PWs) bands (ev): -51.7735 -51.7735 -51.7735 -51.7735 -24.6633 -24.6633 -24.6610 -24.6610 -16.0560 -16.0560 -16.0144 -16.0144 -15.9399 -15.9399 -15.9041 -15.9041 3.6560 3.6560 3.6917 3.6917 11.3957 11.3957 11.4503 11.4503 12.3835 12.3835 12.4384 12.4384 13.2735 13.2735 13.4340 13.4340 14.9305 14.9305 14.9744 14.9744 17.6686 17.6686 17.7949 17.7949 18.4645 18.4645 18.6226 18.6226 k = 0.5000 0.2065 0.2319 ( 2088 PWs) bands (ev): -51.7737 -51.7737 -51.7737 -51.7737 -24.6625 -24.6625 -24.6603 -24.6603 -16.0529 -16.0529 -16.0147 -16.0147 -15.9360 -15.9360 -15.9031 -15.9031 3.6254 3.6254 3.6588 3.6588 11.4024 11.4024 11.4545 11.4545 12.4395 12.4395 12.4911 12.4911 13.2770 13.2770 13.4267 13.4267 14.9533 14.9533 14.9944 14.9944 17.6479 17.6479 17.7701 17.7701 18.5056 18.5056 18.6598 18.6598 k = 0.5000 0.2065 0.2126 ( 2080 PWs) bands (ev): -51.7738 -51.7738 -51.7738 -51.7738 -24.6616 -24.6616 -24.6595 -24.6595 -16.0499 -16.0499 -16.0149 -16.0149 -15.9322 -15.9322 -15.9022 -15.9022 3.5972 3.5972 3.6281 3.6281 11.4091 11.4091 11.4583 11.4583 12.4944 12.4944 12.5429 12.5429 13.2762 13.2762 13.4144 13.4144 14.9771 14.9771 15.0149 15.0149 17.6310 17.6310 17.7482 17.7482 18.5472 18.5472 18.6968 18.6968 k = 0.5000 0.2065 0.1932 ( 2088 PWs) bands (ev): -51.7740 -51.7740 -51.7740 -51.7740 -24.6609 -24.6609 -24.6590 -24.6590 -16.0472 -16.0472 -16.0154 -16.0154 -15.9287 -15.9287 -15.9015 -15.9015 3.5713 3.5713 3.5997 3.5997 11.4156 11.4156 11.4617 11.4617 12.5481 12.5481 12.5936 12.5936 13.2709 13.2709 13.3975 13.3975 15.0012 15.0012 15.0353 15.0353 17.6178 17.6178 17.7288 17.7288 18.5889 18.5889 18.7329 18.7329 k = 0.5000 0.2065 0.1739 ( 2084 PWs) bands (ev): -51.7742 -51.7742 -51.7742 -51.7742 -24.6601 -24.6601 -24.6584 -24.6584 -16.0444 -16.0444 -16.0159 -16.0159 -15.9253 -15.9253 -15.9009 -15.9009 3.5478 3.5478 3.5736 3.5736 11.4219 11.4219 11.4646 11.4646 12.6007 12.6007 12.6434 12.6434 13.2615 13.2615 13.3763 13.3763 15.0251 15.0251 15.0553 15.0553 17.6082 17.6082 17.7119 17.7119 18.6305 18.6305 18.7677 18.7677 k = 0.5000 0.2065 0.1546 ( 2082 PWs) bands (ev): -51.7743 -51.7743 -51.7743 -51.7743 -24.6594 -24.6594 -24.6579 -24.6579 -16.0419 -16.0419 -16.0165 -16.0165 -15.9221 -15.9221 -15.9005 -15.9005 3.5268 3.5268 3.5499 3.5499 11.4281 11.4281 11.4670 11.4670 12.6522 12.6522 12.6923 12.6923 13.2481 13.2481 13.3512 13.3512 15.0479 15.0479 15.0744 15.0744 17.6018 17.6018 17.6973 17.6973 18.6714 18.6714 18.8006 18.8006 k = 0.5000 0.2065 0.1353 ( 2082 PWs) bands (ev): -51.7744 -51.7744 -51.7744 -51.7744 -24.6588 -24.6588 -24.6575 -24.6575 -16.0394 -16.0394 -16.0172 -16.0172 -15.9192 -15.9192 -15.9003 -15.9003 3.5084 3.5084 3.5287 3.5287 11.4340 11.4340 11.4688 11.4688 12.7025 12.7025 12.7405 12.7405 13.2308 13.2308 13.3228 13.3228 15.0693 15.0693 15.0919 15.0919 17.5985 17.5985 17.6846 17.6846 18.7113 18.7113 18.8309 18.8309 k = 0.5000 0.2065 0.1159 ( 2078 PWs) bands (ev): -51.7745 -51.7745 -51.7745 -51.7745 -24.6583 -24.6583 -24.6571 -24.6571 -16.0370 -16.0370 -16.0181 -16.0181 -15.9163 -15.9163 -15.9002 -15.9002 3.4925 3.4925 3.5100 3.5100 11.4396 11.4396 11.4700 11.4700 12.7518 12.7518 12.7878 12.7878 13.2099 13.2099 13.2914 13.2914 15.0888 15.0888 15.1077 15.1077 17.5978 17.5978 17.6736 17.6736 18.7497 18.7497 18.8579 18.8579 k = 0.5000 0.2065 0.0966 ( 2078 PWs) bands (ev): -51.7746 -51.7746 -51.7746 -51.7746 -24.6578 -24.6578 -24.6569 -24.6569 -16.0348 -16.0348 -16.0190 -16.0190 -15.9138 -15.9138 -15.9004 -15.9004 3.4792 3.4792 3.4939 3.4939 11.4449 11.4449 11.4707 11.4707 12.7998 12.7998 12.8344 12.8344 13.1857 13.1857 13.2574 13.2574 15.1059 15.1059 15.1213 15.1213 17.5992 17.5992 17.6639 17.6639 18.7859 18.7859 18.8809 18.8809 k = 0.5000 0.2065 0.0773 ( 2074 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.6574 -24.6574 -24.6566 -24.6566 -16.0327 -16.0327 -16.0201 -16.0201 -15.9114 -15.9114 -15.9007 -15.9007 3.4686 3.4686 3.4804 3.4804 11.4498 11.4498 11.4707 11.4707 12.8465 12.8465 12.8801 12.8801 13.1585 13.1585 13.2213 13.2213 15.1204 15.1204 15.1325 15.1325 17.6025 17.6025 17.6552 17.6552 18.8193 18.8193 18.8989 18.8989 k = 0.5000 0.2065 0.0580 ( 2074 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.6570 -24.6570 -24.6565 -24.6565 -16.0307 -16.0307 -16.0212 -16.0212 -15.9093 -15.9093 -15.9013 -15.9013 3.4607 3.4607 3.4695 3.4695 11.4543 11.4543 11.4702 11.4702 12.8916 12.8916 12.9248 12.9248 13.1286 13.1286 13.1834 13.1834 15.1322 15.1322 15.1411 15.1411 17.6070 17.6070 17.6472 17.6472 18.8490 18.8490 18.9112 18.9112 k = 0.5000 0.2065 0.0386 ( 2070 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.6567 -24.6567 -24.6563 -24.6563 -16.0288 -16.0288 -16.0225 -16.0225 -15.9074 -15.9074 -15.9020 -15.9020 3.4554 3.4554 3.4613 3.4613 11.4583 11.4583 11.4690 11.4690 12.9349 12.9349 12.9681 12.9681 13.0967 13.0967 13.1442 13.1442 15.1411 15.1411 15.1469 15.1469 17.6126 17.6126 17.6397 17.6397 18.8744 18.8744 18.9171 18.9171 k = 0.5000 0.2065 0.0193 ( 2066 PWs) bands (ev): -51.7747 -51.7747 -51.7747 -51.7747 -24.6565 -24.6565 -24.6563 -24.6563 -16.0270 -16.0270 -16.0239 -16.0239 -15.9057 -15.9057 -15.9030 -15.9030 3.4528 3.4528 3.4558 3.4558 11.4618 11.4618 11.4672 11.4672 12.9757 12.9757 13.0068 13.0068 13.0662 13.0662 13.1044 13.1044 15.1470 15.1470 15.1499 15.1499 17.6188 17.6188 17.6324 17.6324 18.8946 18.8946 18.9163 18.9163 k = 0.5000 0.2065 0.0000 ( 2066 PWs) bands (ev): -51.7748 -51.7748 -51.7748 -51.7748 -24.6564 -24.6564 -24.6564 -24.6564 -16.0254 -16.0254 -16.0254 -16.0254 -15.9042 -15.9042 -15.9042 -15.9042 3.4530 3.4530 3.4530 3.4530 11.4648 11.4648 11.4648 11.4648 13.0103 13.0103 13.0103 13.0103 13.0678 13.0678 13.0678 13.0678 15.1499 15.1499 15.1499 15.1499 17.6255 17.6255 17.6255 17.6255 18.9087 18.9087 18.9087 18.9087 k = 0.0000 0.0000 1.3098 ( 2082 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7203 -24.7203 -24.7155 -24.7155 -16.2380 -16.2380 -16.1776 -16.1776 -16.0239 -16.0239 -15.9774 -15.9774 5.4090 5.4090 5.4147 5.4147 10.2458 10.2458 10.4241 10.4241 10.8783 10.8783 10.9221 10.9221 12.7681 12.7681 12.8291 12.8291 15.0185 15.0185 15.1329 15.1329 19.4689 19.4689 19.6025 19.6025 19.7048 19.7048 19.8238 19.8238 k = 0.0179 0.0074 1.3098 ( 2078 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7204 -24.7202 -24.7156 -24.7153 -16.2406 -16.2352 -16.1777 -16.1776 -16.0242 -16.0233 -15.9797 -15.9751 5.4084 5.4095 5.4138 5.4157 10.2442 10.2474 10.4177 10.4283 10.8678 10.8916 10.9027 10.9423 12.7573 12.7785 12.8207 12.8363 15.0096 15.0278 15.1198 15.1459 19.4641 19.4739 19.6016 19.6032 19.7004 19.7097 19.8203 19.8277 k = 0.0357 0.0148 1.3098 ( 2084 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7206 -24.7201 -24.7158 -24.7153 -16.2431 -16.2323 -16.1780 -16.1779 -16.0245 -16.0227 -15.9823 -15.9729 5.4079 5.4101 5.4128 5.4166 10.2427 10.2489 10.4093 10.4301 10.8604 10.8842 10.9074 10.9629 12.7462 12.7882 12.8110 12.8422 15.0013 15.0375 15.1065 15.1585 19.4596 19.4792 19.6005 19.6038 19.6966 19.7150 19.8169 19.8317 k = 0.0536 0.0221 1.3098 ( 2088 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7207 -24.7200 -24.7161 -24.7152 -16.2455 -16.2294 -16.1783 -16.1782 -16.0247 -16.0222 -15.9849 -15.9709 5.4074 5.4106 5.4119 5.4175 10.2414 10.2502 10.3993 10.4297 10.8560 10.8670 10.9254 10.9836 12.7349 12.7972 12.8002 12.8469 14.9938 15.0472 15.0933 15.1707 19.4553 19.4846 19.5991 19.6043 19.6933 19.7207 19.8137 19.8358 k = 0.0714 0.0295 1.3098 ( 2088 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7208 -24.7198 -24.7162 -24.7151 -16.2477 -16.2264 -16.1788 -16.1786 -16.0247 -16.0215 -15.9875 -15.9690 5.4069 5.4110 5.4112 5.4184 10.2405 10.2513 10.3880 10.4272 10.8511 10.8544 10.9448 11.0040 12.7237 12.7885 12.8055 12.8505 14.9872 15.0569 15.0804 15.1823 19.4513 19.4904 19.5974 19.6049 19.6906 19.7267 19.8108 19.8400 k = 0.0893 0.0369 1.3098 ( 2082 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7209 -24.7196 -24.7163 -24.7149 -16.2497 -16.2232 -16.1795 -16.1789 -16.0243 -16.0207 -15.9901 -15.9672 5.4065 5.4102 5.4117 5.4193 10.2401 10.2522 10.3759 10.4231 10.8368 10.8551 10.9653 11.0236 12.7129 12.7759 12.8129 12.8531 14.9815 15.0663 15.0677 15.1932 19.4476 19.4964 19.5952 19.6054 19.6886 19.7329 19.8081 19.8443 k = 0.1071 0.0443 1.3098 ( 2086 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7210 -24.7195 -24.7165 -24.7149 -16.2515 -16.2201 -16.1804 -16.1794 -16.0240 -16.0201 -15.9928 -15.9657 5.4061 5.4094 5.4122 5.4201 10.2402 10.2527 10.3632 10.4177 10.8240 10.8576 10.9862 11.0422 12.7028 12.7628 12.8195 12.8548 14.9769 15.0554 15.0753 15.2033 19.4442 19.5025 19.5926 19.6059 19.6870 19.7392 19.8056 19.8484 k = 0.1250 0.0516 1.3098 ( 2080 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7210 -24.7193 -24.7167 -24.7147 -16.2531 -16.2168 -16.1815 -16.1797 -16.0233 -16.0194 -15.9955 -15.9642 5.4058 5.4087 5.4126 5.4208 10.2411 10.2530 10.3503 10.4117 10.8129 10.8614 11.0069 11.0592 12.6935 12.7494 12.8253 12.8559 14.9735 15.0436 15.0837 15.2125 19.4410 19.5089 19.5896 19.6065 19.6860 19.7455 19.8033 19.8524 k = 0.1429 0.0590 1.3098 ( 2072 PWs) bands (ev): -51.7597 -51.7597 -51.7597 -51.7597 -24.7210 -24.7190 -24.7168 -24.7145 -16.2545 -16.2136 -16.1828 -16.1800 -16.0223 -16.0188 -15.9981 -15.9628 5.4055 5.4080 5.4130 5.4214 10.2427 10.2530 10.3375 10.4055 10.8034 10.8659 11.0269 11.0743 12.6855 12.7361 12.8303 12.8563 14.9712 15.0325 15.0914 15.2207 19.4383 19.5155 19.5860 19.6070 19.6854 19.7517 19.8009 19.8563 k = 0.1607 0.0664 1.3098 ( 2072 PWs) bands (ev): -51.7597 -51.7597 -51.7597 -51.7597 -24.7210 -24.7188 -24.7169 -24.7145 -16.2557 -16.2104 -16.1845 -16.1803 -16.0213 -16.0183 -16.0008 -15.9617 5.4053 5.4074 5.4134 5.4220 10.2453 10.2529 10.3250 10.3995 10.7955 10.8706 11.0457 11.0870 12.6790 12.7232 12.8344 12.8564 14.9701 15.0220 15.0981 15.2278 19.4358 19.5221 19.5819 19.6075 19.6850 19.7577 19.7985 19.8597 k = 0.1786 0.0738 1.3098 ( 2068 PWs) bands (ev): -51.7597 -51.7597 -51.7597 -51.7597 -24.7210 -24.7186 -24.7171 -24.7144 -16.2567 -16.2073 -16.1863 -16.1806 -16.0199 -16.0178 -16.0033 -15.9608 5.4052 5.4068 5.4137 5.4225 10.2487 10.2526 10.3130 10.3942 10.7892 10.8751 11.0627 11.0970 12.6743 12.7110 12.8378 12.8562 14.9702 15.0123 15.1038 15.2337 19.4338 19.5288 19.5774 19.6080 19.6850 19.7635 19.7960 19.8627 k = 0.1964 0.0811 1.3098 ( 2068 PWs) bands (ev): -51.7597 -51.7597 -51.7597 -51.7597 -24.7211 -24.7184 -24.7173 -24.7143 -16.2575 -16.2042 -16.1883 -16.1808 -16.0184 -16.0174 -16.0058 -15.9601 5.4051 5.4064 5.4139 5.4229 10.2524 10.2532 10.3016 10.3897 10.7843 10.8790 11.0776 11.1041 12.6716 12.6999 12.8403 12.8559 14.9716 15.0034 15.1084 15.2383 19.4322 19.5355 19.5723 19.6083 19.6850 19.7690 19.7932 19.8651 k = 0.2143 0.0885 1.3098 ( 2068 PWs) bands (ev): -51.7597 -51.7597 -51.7597 -51.7597 -24.7211 -24.7182 -24.7175 -24.7143 -16.2580 -16.2012 -16.1906 -16.1810 -16.0172 -16.0167 -16.0083 -15.9596 5.4052 5.4060 5.4141 5.4231 10.2521 10.2587 10.2911 10.3863 10.7809 10.8819 11.0899 11.1079 12.6710 12.6903 12.8422 12.8556 14.9741 14.9955 15.1117 15.2417 19.4310 19.5421 19.5669 19.6086 19.6851 19.7740 19.7902 19.8670 k = 0.2321 0.0959 1.3098 ( 2078 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7212 -24.7181 -24.7178 -24.7144 -16.2585 -16.1984 -16.1930 -16.1812 -16.0171 -16.0150 -16.0107 -15.9594 5.4052 5.4056 5.4142 5.4233 10.2519 10.2652 10.2815 10.3842 10.7789 10.8838 11.0993 11.1084 12.6726 12.6823 12.8432 12.8554 14.9777 14.9885 15.1137 15.2437 19.4302 19.5486 19.5610 19.6087 19.6852 19.7787 19.7868 19.8681 k = 0.2500 0.1033 1.3098 ( 2088 PWs) bands (ev): -51.7598 -51.7598 -51.7598 -51.7598 -24.7213 -24.7181 -24.7181 -24.7145 -16.2587 -16.1957 -16.1957 -16.1813 -16.0171 -16.0130 -16.0130 -15.9594 5.4054 5.4054 5.4142 5.4234 10.2519 10.2728 10.2728 10.3835 10.7782 10.8844 11.1055 11.1055 12.6764 12.6764 12.8436 12.8553 14.9825 14.9825 15.1143 15.2443 19.4300 19.5549 19.5549 19.6088 19.6852 19.7829 19.7829 19.8684 Writing output data file TaP.save init_run : 4.21s CPU 13.37s WALL ( 1 calls) electrons : 605.32s CPU 611.24s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.42s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 605.31s CPU 610.93s WALL ( 1 calls) v_of_rho : 0.12s CPU 0.96s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.12s CPU 0.65s WALL ( 1 calls) newd : 0.36s CPU 0.59s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.08s WALL ( 406 calls) cegterg : 567.46s CPU 570.72s WALL ( 812 calls) Called by sum_band: Called by *egterg: h_psi : 358.76s CPU 365.71s WALL ( 12494 calls) s_psi : 15.34s CPU 15.99s WALL ( 12494 calls) g_psi : 0.33s CPU 0.38s WALL ( 11276 calls) cdiaghg : 160.71s CPU 158.67s WALL ( 11682 calls) cegterg:over : 32.58s CPU 29.16s WALL ( 11276 calls) cegterg:upda : 3.53s CPU 6.23s WALL ( 11276 calls) cegterg:last : 3.75s CPU 4.63s WALL ( 2211 calls) Called by h_psi: h_psi:vloc : 327.05s CPU 333.26s WALL ( 12494 calls) h_psi:vnl : 31.59s CPU 31.99s WALL ( 12494 calls) add_vuspsi : 8.30s CPU 12.03s WALL ( 12494 calls) General routines calbec : 23.25s CPU 19.81s WALL ( 12494 calls) fft : 0.46s CPU 1.18s WALL ( 19 calls) ffts : 0.05s CPU 0.05s WALL ( 4 calls) fftw : 310.57s CPU 311.64s WALL ( 1174396 calls) interpolate : 0.09s CPU 0.09s WALL ( 4 calls) davcio : 0.03s CPU 0.75s WALL ( 812 calls) Parallel routines fft_scatter : 159.54s CPU 156.80s WALL ( 1174419 calls) PWSCF : 10m50.50s CPU 12m 4.58s WALL This run was terminated on: 13:17: 3 18Jul2015 =------------------------------------------------------------------------------= JOB DONE. 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