Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:28:52 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./HgF.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 92 44 13 1960 646 105 Max 93 45 14 1962 664 107 Sum 3325 1601 469 70595 23487 3833 bravais-lattice index = 14 lattice parameter (alat) = 11.4012 a.u. unit-cell volume = 492.6689 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 416.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.401220 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.815996 celldm(5)= -0.815996 celldm(6)= 0.631992 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.631992 0.774975 0.000000 ) a(3) = ( -0.815996 -0.387487 0.428957 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.815500 1.165618 ) b(2) = ( 0.000000 1.290364 1.165618 ) b(3) = ( 0.000000 0.000000 2.331237 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for F read from file: /users/gautes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 378 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0191085), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0382170), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0573255), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0764340), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0955425), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.1146510), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.1337595), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.1528680), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.1719765), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.1910850), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.2101935), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.2293020), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.2484105), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.2675190), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.2866275), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.3057360), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.3248445), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.3439530), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.3630615), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.3821700), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.4012785), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.4203870), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.4394955), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.4586040), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.4777125), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.4968210), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.5159295), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.5350380), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.5541465), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.5732550), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.5923635), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.6114719), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.6305804), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.6496889), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.6687975), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.6879060), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.7070144), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.7261229), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.7452314), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.7643399), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.7834484), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.8025569), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.8216654), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.8407739), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.8598824), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.8789909), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.8980994), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.9172079), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.9363164), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.9554249), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.9745334), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.9936419), wk = 0.0026455 k( 54) = ( 0.0000000 0.0000000 1.0127504), wk = 0.0026455 k( 55) = ( 0.0000000 0.0000000 1.0318589), wk = 0.0026455 k( 56) = ( 0.0000000 0.0000000 1.0509674), wk = 0.0026455 k( 57) = ( 0.0000000 0.0000000 1.0700759), wk = 0.0026455 k( 58) = ( 0.0000000 0.0000000 1.0891844), wk = 0.0026455 k( 59) = ( 0.0000000 0.0000000 1.1082929), wk = 0.0026455 k( 60) = ( 0.0000000 0.0000000 1.1274014), wk = 0.0026455 k( 61) = ( 0.0000000 0.0000000 1.1465099), wk = 0.0026455 k( 62) = ( 0.0000000 0.0000000 1.1656184), wk = 0.0026455 k( 63) = ( 0.0000000 0.0000000 1.1656184), wk = 0.0026455 k( 64) = ( -0.0080534 0.0169594 1.1656184), wk = 0.0026455 k( 65) = ( -0.0161069 0.0339189 1.1656184), wk = 0.0026455 k( 66) = ( -0.0241603 0.0508783 1.1656184), wk = 0.0026455 k( 67) = ( -0.0322137 0.0678378 1.1656184), wk = 0.0026455 k( 68) = ( -0.0402672 0.0847972 1.1656184), wk = 0.0026455 k( 69) = ( -0.0483206 0.1017567 1.1656184), wk = 0.0026455 k( 70) = ( -0.0563740 0.1187161 1.1656184), wk = 0.0026455 k( 71) = ( -0.0563740 0.1187161 1.1656184), wk = 0.0026455 k( 72) = ( -0.0620616 0.1306932 1.1523595), wk = 0.0026455 k( 73) = ( -0.0677491 0.1426704 1.1391005), wk = 0.0026455 k( 74) = ( -0.0734366 0.1546475 1.1258416), wk = 0.0026455 k( 75) = ( -0.0791241 0.1666246 1.1125827), wk = 0.0026455 k( 76) = ( -0.0848116 0.1786017 1.0993237), wk = 0.0026455 k( 77) = ( -0.0904991 0.1905789 1.0860648), wk = 0.0026455 k( 78) = ( -0.0961866 0.2025560 1.0728058), wk = 0.0026455 k( 79) = ( -0.1018741 0.2145331 1.0595469), wk = 0.0026455 k( 80) = ( -0.1075616 0.2265103 1.0462880), wk = 0.0026455 k( 81) = ( -0.1132492 0.2384874 1.0330290), wk = 0.0026455 k( 82) = ( -0.1189367 0.2504645 1.0197701), wk = 0.0026455 k( 83) = ( -0.1246242 0.2624417 1.0065111), wk = 0.0026455 k( 84) = ( -0.1303117 0.2744188 0.9932522), wk = 0.0026455 k( 85) = ( -0.1359992 0.2863959 0.9799933), wk = 0.0026455 k( 86) = ( -0.1416867 0.2983730 0.9667343), wk = 0.0026455 k( 87) = ( -0.1473742 0.3103502 0.9534754), wk = 0.0026455 k( 88) = ( -0.1530617 0.3223273 0.9402165), wk = 0.0026455 k( 89) = ( -0.1587493 0.3343044 0.9269575), wk = 0.0026455 k( 90) = ( -0.1644368 0.3462816 0.9136986), wk = 0.0026455 k( 91) = ( -0.1701243 0.3582587 0.9004396), wk = 0.0026455 k( 92) = ( -0.1758118 0.3702358 0.8871807), wk = 0.0026455 k( 93) = ( -0.1814993 0.3822129 0.8739218), wk = 0.0026455 k( 94) = ( -0.1871868 0.3941901 0.8606628), wk = 0.0026455 k( 95) = ( -0.1928743 0.4061672 0.8474039), wk = 0.0026455 k( 96) = ( -0.1985619 0.4181443 0.8341450), wk = 0.0026455 k( 97) = ( -0.2042494 0.4301215 0.8208860), wk = 0.0026455 k( 98) = ( -0.2099369 0.4420986 0.8076271), wk = 0.0026455 k( 99) = ( -0.2156244 0.4540757 0.7943682), wk = 0.0026455 k( 100) = ( -0.2213119 0.4660529 0.7811092), wk = 0.0026455 k( 101) = ( -0.2269994 0.4780300 0.7678503), wk = 0.0026455 k( 102) = ( -0.2326869 0.4900071 0.7545913), wk = 0.0026455 k( 103) = ( -0.2383744 0.5019843 0.7413324), wk = 0.0026455 k( 104) = ( -0.2440619 0.5139614 0.7280734), wk = 0.0026455 k( 105) = ( -0.2497495 0.5259385 0.7148145), wk = 0.0026455 k( 106) = ( -0.2554370 0.5379156 0.7015556), wk = 0.0026455 k( 107) = ( -0.2611245 0.5498928 0.6882966), wk = 0.0026455 k( 108) = ( -0.2668120 0.5618699 0.6750377), wk = 0.0026455 k( 109) = ( -0.2724995 0.5738470 0.6617788), wk = 0.0026455 k( 110) = ( -0.2781870 0.5858242 0.6485198), wk = 0.0026455 k( 111) = ( -0.2781870 0.5858242 0.6485198), wk = 0.0026455 k( 112) = ( -0.2723915 0.5736195 0.6350090), wk = 0.0026455 k( 113) = ( -0.2665959 0.5614148 0.6214982), wk = 0.0026455 k( 114) = ( -0.2608003 0.5492101 0.6079873), wk = 0.0026455 k( 115) = ( -0.2550048 0.5370055 0.5944765), wk = 0.0026455 k( 116) = ( -0.2492092 0.5248008 0.5809657), wk = 0.0026455 k( 117) = ( -0.2434136 0.5125961 0.5674548), wk = 0.0026455 k( 118) = ( -0.2376181 0.5003915 0.5539440), wk = 0.0026455 k( 119) = ( -0.2318225 0.4881868 0.5404332), wk = 0.0026455 k( 120) = ( -0.2260270 0.4759821 0.5269223), wk = 0.0026455 k( 121) = ( -0.2202314 0.4637775 0.5134115), wk = 0.0026455 k( 122) = ( -0.2144358 0.4515728 0.4999007), wk = 0.0026455 k( 123) = ( -0.2086403 0.4393681 0.4863899), wk = 0.0026455 k( 124) = ( -0.2028447 0.4271634 0.4728790), wk = 0.0026455 k( 125) = ( -0.1970491 0.4149588 0.4593682), wk = 0.0026455 k( 126) = ( -0.1912536 0.4027541 0.4458574), wk = 0.0026455 k( 127) = ( -0.1854580 0.3905494 0.4323465), wk = 0.0026455 k( 128) = ( -0.1796625 0.3783448 0.4188357), wk = 0.0026455 k( 129) = ( -0.1738669 0.3661401 0.4053249), wk = 0.0026455 k( 130) = ( -0.1680713 0.3539354 0.3918141), wk = 0.0026455 k( 131) = ( -0.1622758 0.3417308 0.3783032), wk = 0.0026455 k( 132) = ( -0.1564802 0.3295261 0.3647924), wk = 0.0026455 k( 133) = ( -0.1506846 0.3173214 0.3512816), wk = 0.0026455 k( 134) = ( -0.1448891 0.3051167 0.3377707), wk = 0.0026455 k( 135) = ( -0.1390935 0.2929121 0.3242599), wk = 0.0026455 k( 136) = ( -0.1332979 0.2807074 0.3107491), wk = 0.0026455 k( 137) = ( -0.1275024 0.2685027 0.2972382), wk = 0.0026455 k( 138) = ( -0.1217068 0.2562981 0.2837274), wk = 0.0026455 k( 139) = ( -0.1159113 0.2440934 0.2702166), wk = 0.0026455 k( 140) = ( -0.1101157 0.2318887 0.2567058), wk = 0.0026455 k( 141) = ( -0.1043201 0.2196841 0.2431949), wk = 0.0026455 k( 142) = ( -0.0985246 0.2074794 0.2296841), wk = 0.0026455 k( 143) = ( -0.0927290 0.1952747 0.2161733), wk = 0.0026455 k( 144) = ( -0.0869334 0.1830700 0.2026624), wk = 0.0026455 k( 145) = ( -0.0811379 0.1708654 0.1891516), wk = 0.0026455 k( 146) = ( -0.0753423 0.1586607 0.1756408), wk = 0.0026455 k( 147) = ( -0.0695468 0.1464561 0.1621300), wk = 0.0026455 k( 148) = ( -0.0637512 0.1342514 0.1486191), wk = 0.0026455 k( 149) = ( -0.0579556 0.1220467 0.1351083), wk = 0.0026455 k( 150) = ( -0.0521601 0.1098420 0.1215975), wk = 0.0026455 k( 151) = ( -0.0463645 0.0976374 0.1080866), wk = 0.0026455 k( 152) = ( -0.0405689 0.0854327 0.0945758), wk = 0.0026455 k( 153) = ( -0.0347734 0.0732280 0.0810650), wk = 0.0026455 k( 154) = ( -0.0289778 0.0610233 0.0675541), wk = 0.0026455 k( 155) = ( -0.0231823 0.0488187 0.0540433), wk = 0.0026455 k( 156) = ( -0.0173867 0.0366140 0.0405325), wk = 0.0026455 k( 157) = ( -0.0115911 0.0244093 0.0270217), wk = 0.0026455 k( 158) = ( -0.0057956 0.0122047 0.0135108), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 161) = ( 0.0172414 0.0081873 -0.0000000), wk = 0.0026455 k( 162) = ( 0.0344828 0.0163746 -0.0000000), wk = 0.0026455 k( 163) = ( 0.0517241 0.0245620 -0.0000000), wk = 0.0026455 k( 164) = ( 0.0689655 0.0327493 -0.0000000), wk = 0.0026455 k( 165) = ( 0.0862069 0.0409366 -0.0000000), wk = 0.0026455 k( 166) = ( 0.1034483 0.0491239 -0.0000000), wk = 0.0026455 k( 167) = ( 0.1206897 0.0573112 -0.0000000), wk = 0.0026455 k( 168) = ( 0.1379310 0.0654985 -0.0000000), wk = 0.0026455 k( 169) = ( 0.1551724 0.0736858 -0.0000000), wk = 0.0026455 k( 170) = ( 0.1724138 0.0818732 -0.0000000), wk = 0.0026455 k( 171) = ( 0.1896552 0.0900605 -0.0000000), wk = 0.0026455 k( 172) = ( 0.2068966 0.0982478 -0.0000000), wk = 0.0026455 k( 173) = ( 0.2241379 0.1064351 -0.0000000), wk = 0.0026455 k( 174) = ( 0.2413793 0.1146224 -0.0000000), wk = 0.0026455 k( 175) = ( 0.2586207 0.1228098 -0.0000000), wk = 0.0026455 k( 176) = ( 0.2758621 0.1309971 -0.0000000), wk = 0.0026455 k( 177) = ( 0.2931034 0.1391844 -0.0000000), wk = 0.0026455 k( 178) = ( 0.3103448 0.1473717 -0.0000000), wk = 0.0026455 k( 179) = ( 0.3275862 0.1555590 -0.0000000), wk = 0.0026455 k( 180) = ( 0.3448276 0.1637463 -0.0000000), wk = 0.0026455 k( 181) = ( 0.3620690 0.1719337 -0.0000000), wk = 0.0026455 k( 182) = ( 0.3793103 0.1801210 -0.0000000), wk = 0.0026455 k( 183) = ( 0.3965517 0.1883083 -0.0000000), wk = 0.0026455 k( 184) = ( 0.4137931 0.1964956 -0.0000000), wk = 0.0026455 k( 185) = ( 0.4310345 0.2046829 -0.0000000), wk = 0.0026455 k( 186) = ( 0.4482759 0.2128702 -0.0000000), wk = 0.0026455 k( 187) = ( 0.4655172 0.2210576 -0.0000000), wk = 0.0026455 k( 188) = ( 0.4827586 0.2292449 -0.0000000), wk = 0.0026455 k( 189) = ( 0.5000000 0.2374322 -0.0000000), wk = 0.0026455 k( 190) = ( 0.5000000 0.2374322 -0.0000000), wk = 0.0026455 k( 191) = ( 0.4943125 0.2494093 0.0132589), wk = 0.0026455 k( 192) = ( 0.4886250 0.2613864 0.0265179), wk = 0.0026455 k( 193) = ( 0.4829375 0.2733636 0.0397768), wk = 0.0026455 k( 194) = ( 0.4772499 0.2853407 0.0530358), wk = 0.0026455 k( 195) = ( 0.4715624 0.2973178 0.0662947), wk = 0.0026455 k( 196) = ( 0.4658749 0.3092950 0.0795536), wk = 0.0026455 k( 197) = ( 0.4601874 0.3212721 0.0928126), wk = 0.0026455 k( 198) = ( 0.4544999 0.3332492 0.1060715), wk = 0.0026455 k( 199) = ( 0.4488124 0.3452264 0.1193304), wk = 0.0026455 k( 200) = ( 0.4431249 0.3572035 0.1325894), wk = 0.0026455 k( 201) = ( 0.4374374 0.3691806 0.1458483), wk = 0.0026455 k( 202) = ( 0.4317498 0.3811578 0.1591073), wk = 0.0026455 k( 203) = ( 0.4260623 0.3931349 0.1723662), wk = 0.0026455 k( 204) = ( 0.4203748 0.4051120 0.1856251), wk = 0.0026455 k( 205) = ( 0.4146873 0.4170891 0.1988841), wk = 0.0026455 k( 206) = ( 0.4089998 0.4290663 0.2121430), wk = 0.0026455 k( 207) = ( 0.4033123 0.4410434 0.2254019), wk = 0.0026455 k( 208) = ( 0.3976248 0.4530205 0.2386609), wk = 0.0026455 k( 209) = ( 0.3919373 0.4649976 0.2519198), wk = 0.0026455 k( 210) = ( 0.3862498 0.4769748 0.2651788), wk = 0.0026455 k( 211) = ( 0.3805622 0.4889519 0.2784377), wk = 0.0026455 k( 212) = ( 0.3748747 0.5009290 0.2916966), wk = 0.0026455 k( 213) = ( 0.3691872 0.5129062 0.3049556), wk = 0.0026455 k( 214) = ( 0.3634997 0.5248833 0.3182145), wk = 0.0026455 k( 215) = ( 0.3578122 0.5368604 0.3314735), wk = 0.0026455 k( 216) = ( 0.3521247 0.5488376 0.3447324), wk = 0.0026455 k( 217) = ( 0.3464372 0.5608147 0.3579913), wk = 0.0026455 k( 218) = ( 0.3407497 0.5727918 0.3712503), wk = 0.0026455 k( 219) = ( 0.3350621 0.5847690 0.3845092), wk = 0.0026455 k( 220) = ( 0.3293746 0.5967461 0.3977681), wk = 0.0026455 k( 221) = ( 0.3236871 0.6087232 0.4110271), wk = 0.0026455 k( 222) = ( 0.3179996 0.6207003 0.4242860), wk = 0.0026455 k( 223) = ( 0.3123121 0.6326775 0.4375450), wk = 0.0026455 k( 224) = ( 0.3066246 0.6446546 0.4508039), wk = 0.0026455 k( 225) = ( 0.3009371 0.6566317 0.4640628), wk = 0.0026455 k( 226) = ( 0.2952496 0.6686089 0.4773218), wk = 0.0026455 k( 227) = ( 0.2895621 0.6805860 0.4905807), wk = 0.0026455 k( 228) = ( 0.2838745 0.6925631 0.5038397), wk = 0.0026455 k( 229) = ( 0.2781870 0.7045403 0.5170986), wk = 0.0026455 k( 230) = ( 0.2781870 0.7045403 0.5170986), wk = 0.0026455 k( 231) = ( 0.2608003 0.7008304 0.5212055), wk = 0.0026455 k( 232) = ( 0.2434136 0.6971205 0.5253124), wk = 0.0026455 k( 233) = ( 0.2260270 0.6934106 0.5294193), wk = 0.0026455 k( 234) = ( 0.2086403 0.6897007 0.5335262), wk = 0.0026455 k( 235) = ( 0.1912536 0.6859909 0.5376331), wk = 0.0026455 k( 236) = ( 0.1738669 0.6822810 0.5417401), wk = 0.0026455 k( 237) = ( 0.1564802 0.6785711 0.5458470), wk = 0.0026455 k( 238) = ( 0.1390935 0.6748612 0.5499539), wk = 0.0026455 k( 239) = ( 0.1217068 0.6711514 0.5540608), wk = 0.0026455 k( 240) = ( 0.1043201 0.6674415 0.5581677), wk = 0.0026455 k( 241) = ( 0.0869334 0.6637316 0.5622746), wk = 0.0026455 k( 242) = ( 0.0695468 0.6600217 0.5663815), wk = 0.0026455 k( 243) = ( 0.0521601 0.6563118 0.5704885), wk = 0.0026455 k( 244) = ( 0.0347734 0.6526020 0.5745954), wk = 0.0026455 k( 245) = ( 0.0173867 0.6488921 0.5787023), wk = 0.0026455 k( 246) = ( 0.0000000 0.6451822 0.5828092), wk = 0.0026455 k( 247) = ( 0.0000000 0.6451822 0.5828092), wk = 0.0026455 k( 248) = ( 0.0058140 0.6329388 0.5963629), wk = 0.0026455 k( 249) = ( 0.0116279 0.6206954 0.6099166), wk = 0.0026455 k( 250) = ( 0.0174419 0.6084520 0.6234703), wk = 0.0026455 k( 251) = ( 0.0232558 0.5962086 0.6370240), wk = 0.0026455 k( 252) = ( 0.0290698 0.5839652 0.6505777), wk = 0.0026455 k( 253) = ( 0.0348837 0.5717218 0.6641314), wk = 0.0026455 k( 254) = ( 0.0406977 0.5594784 0.6776851), wk = 0.0026455 k( 255) = ( 0.0465116 0.5472350 0.6912388), wk = 0.0026455 k( 256) = ( 0.0523256 0.5349916 0.7047925), wk = 0.0026455 k( 257) = ( 0.0581395 0.5227482 0.7183462), wk = 0.0026455 k( 258) = ( 0.0639535 0.5105048 0.7318999), wk = 0.0026455 k( 259) = ( 0.0697674 0.4982614 0.7454536), wk = 0.0026455 k( 260) = ( 0.0755814 0.4860180 0.7590073), wk = 0.0026455 k( 261) = ( 0.0813954 0.4737746 0.7725610), wk = 0.0026455 k( 262) = ( 0.0872093 0.4615312 0.7861147), wk = 0.0026455 k( 263) = ( 0.0930233 0.4492878 0.7996685), wk = 0.0026455 k( 264) = ( 0.0988372 0.4370444 0.8132221), wk = 0.0026455 k( 265) = ( 0.1046512 0.4248010 0.8267758), wk = 0.0026455 k( 266) = ( 0.1104651 0.4125576 0.8403296), wk = 0.0026455 k( 267) = ( 0.1162791 0.4003142 0.8538833), wk = 0.0026455 k( 268) = ( 0.1220930 0.3880709 0.8674369), wk = 0.0026455 k( 269) = ( 0.1279070 0.3758274 0.8809907), wk = 0.0026455 k( 270) = ( 0.1337209 0.3635841 0.8945444), wk = 0.0026455 k( 271) = ( 0.1395349 0.3513407 0.9080981), wk = 0.0026455 k( 272) = ( 0.1453488 0.3390973 0.9216518), wk = 0.0026455 k( 273) = ( 0.1511628 0.3268539 0.9352055), wk = 0.0026455 k( 274) = ( 0.1569767 0.3146105 0.9487592), wk = 0.0026455 k( 275) = ( 0.1627907 0.3023671 0.9623129), wk = 0.0026455 k( 276) = ( 0.1686046 0.2901237 0.9758666), wk = 0.0026455 k( 277) = ( 0.1744186 0.2778803 0.9894203), wk = 0.0026455 k( 278) = ( 0.1802326 0.2656369 1.0029740), wk = 0.0026455 k( 279) = ( 0.1860465 0.2533935 1.0165277), wk = 0.0026455 k( 280) = ( 0.1918605 0.2411501 1.0300814), wk = 0.0026455 k( 281) = ( 0.1976744 0.2289067 1.0436351), wk = 0.0026455 k( 282) = ( 0.2034884 0.2166633 1.0571888), wk = 0.0026455 k( 283) = ( 0.2093023 0.2044199 1.0707425), wk = 0.0026455 k( 284) = ( 0.2151163 0.1921765 1.0842962), wk = 0.0026455 k( 285) = ( 0.2209302 0.1799331 1.0978499), wk = 0.0026455 k( 286) = ( 0.2267442 0.1676897 1.1114036), wk = 0.0026455 k( 287) = ( 0.2325581 0.1554463 1.1249573), wk = 0.0026455 k( 288) = ( 0.2383721 0.1432029 1.1385110), wk = 0.0026455 k( 289) = ( 0.2441860 0.1309595 1.1520647), wk = 0.0026455 k( 290) = ( 0.2500000 0.1187161 1.1656184), wk = 0.0026455 k( 291) = ( 0.2500000 0.1187161 1.1656184), wk = 0.0026455 k( 292) = ( 0.2656250 0.1261358 1.1574046), wk = 0.0026455 k( 293) = ( 0.2812500 0.1335556 1.1491907), wk = 0.0026455 k( 294) = ( 0.2968750 0.1409754 1.1409769), wk = 0.0026455 k( 295) = ( 0.3125000 0.1483951 1.1327631), wk = 0.0026455 k( 296) = ( 0.3281250 0.1558149 1.1245493), wk = 0.0026455 k( 297) = ( 0.3437500 0.1632346 1.1163354), wk = 0.0026455 k( 298) = ( 0.3593750 0.1706544 1.1081216), wk = 0.0026455 k( 299) = ( 0.3750000 0.1780741 1.0999078), wk = 0.0026455 k( 300) = ( 0.3906250 0.1854939 1.0916940), wk = 0.0026455 k( 301) = ( 0.4062500 0.1929137 1.0834801), wk = 0.0026455 k( 302) = ( 0.4218750 0.2003334 1.0752663), wk = 0.0026455 k( 303) = ( 0.4375000 0.2077532 1.0670525), wk = 0.0026455 k( 304) = ( 0.4531250 0.2151729 1.0588386), wk = 0.0026455 k( 305) = ( 0.4687500 0.2225927 1.0506248), wk = 0.0026455 k( 306) = ( 0.4843750 0.2300124 1.0424110), wk = 0.0026455 k( 307) = ( 0.5000000 0.2374322 1.0341972), wk = 0.0026455 k( 308) = ( 0.5000000 0.2374322 1.0341972), wk = 0.0026455 k( 309) = ( 0.5000000 0.2374322 1.0150454), wk = 0.0026455 k( 310) = ( 0.5000000 0.2374322 0.9958936), wk = 0.0026455 k( 311) = ( 0.5000000 0.2374322 0.9767418), wk = 0.0026455 k( 312) = ( 0.5000000 0.2374322 0.9575900), wk = 0.0026455 k( 313) = ( 0.5000000 0.2374322 0.9384382), wk = 0.0026455 k( 314) = ( 0.5000000 0.2374322 0.9192864), wk = 0.0026455 k( 315) = ( 0.5000000 0.2374322 0.9001346), wk = 0.0026455 k( 316) = ( 0.5000000 0.2374322 0.8809828), wk = 0.0026455 k( 317) = ( 0.5000000 0.2374322 0.8618310), wk = 0.0026455 k( 318) = ( 0.5000000 0.2374322 0.8426792), wk = 0.0026455 k( 319) = ( 0.5000000 0.2374322 0.8235274), wk = 0.0026455 k( 320) = ( 0.5000000 0.2374322 0.8043756), wk = 0.0026455 k( 321) = ( 0.5000000 0.2374322 0.7852238), wk = 0.0026455 k( 322) = ( 0.5000000 0.2374322 0.7660720), wk = 0.0026455 k( 323) = ( 0.5000000 0.2374322 0.7469202), wk = 0.0026455 k( 324) = ( 0.5000000 0.2374322 0.7277684), wk = 0.0026455 k( 325) = ( 0.5000000 0.2374322 0.7086166), wk = 0.0026455 k( 326) = ( 0.5000000 0.2374322 0.6894648), wk = 0.0026455 k( 327) = ( 0.5000000 0.2374322 0.6703130), wk = 0.0026455 k( 328) = ( 0.5000000 0.2374322 0.6511612), wk = 0.0026455 k( 329) = ( 0.5000000 0.2374322 0.6320094), wk = 0.0026455 k( 330) = ( 0.5000000 0.2374322 0.6128576), wk = 0.0026455 k( 331) = ( 0.5000000 0.2374322 0.5937058), wk = 0.0026455 k( 332) = ( 0.5000000 0.2374322 0.5745540), wk = 0.0026455 k( 333) = ( 0.5000000 0.2374322 0.5554022), wk = 0.0026455 k( 334) = ( 0.5000000 0.2374322 0.5362504), wk = 0.0026455 k( 335) = ( 0.5000000 0.2374322 0.5170986), wk = 0.0026455 k( 336) = ( 0.5000000 0.2374322 0.4979468), wk = 0.0026455 k( 337) = ( 0.5000000 0.2374322 0.4787950), wk = 0.0026455 k( 338) = ( 0.5000000 0.2374322 0.4596432), wk = 0.0026455 k( 339) = ( 0.5000000 0.2374322 0.4404914), wk = 0.0026455 k( 340) = ( 0.5000000 0.2374322 0.4213396), wk = 0.0026455 k( 341) = ( 0.5000000 0.2374322 0.4021878), wk = 0.0026455 k( 342) = ( 0.5000000 0.2374322 0.3830360), wk = 0.0026455 k( 343) = ( 0.5000000 0.2374322 0.3638842), wk = 0.0026455 k( 344) = ( 0.5000000 0.2374322 0.3447324), wk = 0.0026455 k( 345) = ( 0.5000000 0.2374322 0.3255806), wk = 0.0026455 k( 346) = ( 0.5000000 0.2374322 0.3064288), wk = 0.0026455 k( 347) = ( 0.5000000 0.2374322 0.2872770), wk = 0.0026455 k( 348) = ( 0.5000000 0.2374322 0.2681252), wk = 0.0026455 k( 349) = ( 0.5000000 0.2374322 0.2489734), wk = 0.0026455 k( 350) = ( 0.5000000 0.2374322 0.2298216), wk = 0.0026455 k( 351) = ( 0.5000000 0.2374322 0.2106698), wk = 0.0026455 k( 352) = ( 0.5000000 0.2374322 0.1915180), wk = 0.0026455 k( 353) = ( 0.5000000 0.2374322 0.1723662), wk = 0.0026455 k( 354) = ( 0.5000000 0.2374322 0.1532144), wk = 0.0026455 k( 355) = ( 0.5000000 0.2374322 0.1340626), wk = 0.0026455 k( 356) = ( 0.5000000 0.2374322 0.1149108), wk = 0.0026455 k( 357) = ( 0.5000000 0.2374322 0.0957590), wk = 0.0026455 k( 358) = ( 0.5000000 0.2374322 0.0766072), wk = 0.0026455 k( 359) = ( 0.5000000 0.2374322 0.0574554), wk = 0.0026455 k( 360) = ( 0.5000000 0.2374322 0.0383036), wk = 0.0026455 k( 361) = ( 0.5000000 0.2374322 0.0191518), wk = 0.0026455 k( 362) = ( 0.5000000 0.2374322 -0.0000000), wk = 0.0026455 k( 363) = ( 0.0000000 0.0000000 1.1656184), wk = 0.0026455 k( 364) = ( 0.0166667 0.0079144 1.1656184), wk = 0.0026455 k( 365) = ( 0.0333333 0.0158288 1.1656184), wk = 0.0026455 k( 366) = ( 0.0500000 0.0237432 1.1656184), wk = 0.0026455 k( 367) = ( 0.0666667 0.0316576 1.1656184), wk = 0.0026455 k( 368) = ( 0.0833333 0.0395720 1.1656184), wk = 0.0026455 k( 369) = ( 0.1000000 0.0474864 1.1656184), wk = 0.0026455 k( 370) = ( 0.1166667 0.0554008 1.1656184), wk = 0.0026455 k( 371) = ( 0.1333333 0.0633152 1.1656184), wk = 0.0026455 k( 372) = ( 0.1500000 0.0712297 1.1656184), wk = 0.0026455 k( 373) = ( 0.1666667 0.0791441 1.1656184), wk = 0.0026455 k( 374) = ( 0.1833333 0.0870585 1.1656184), wk = 0.0026455 k( 375) = ( 0.2000000 0.0949729 1.1656184), wk = 0.0026455 k( 376) = ( 0.2166667 0.1028873 1.1656184), wk = 0.0026455 k( 377) = ( 0.2333333 0.1108017 1.1656184), wk = 0.0026455 k( 378) = ( 0.2500000 0.1187161 1.1656184), wk = 0.0026455 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 2) = ( 0.0000000 0.0000000 0.0081967), wk = 0.0026455 k( 3) = ( 0.0000000 0.0000000 0.0163934), wk = 0.0026455 k( 4) = ( 0.0000000 0.0000000 0.0245902), wk = 0.0026455 k( 5) = ( 0.0000000 0.0000000 0.0327869), wk = 0.0026455 k( 6) = ( 0.0000000 0.0000000 0.0409836), wk = 0.0026455 k( 7) = ( 0.0000000 0.0000000 0.0491803), wk = 0.0026455 k( 8) = ( 0.0000000 0.0000000 0.0573770), wk = 0.0026455 k( 9) = ( 0.0000000 0.0000000 0.0655738), wk = 0.0026455 k( 10) = ( 0.0000000 0.0000000 0.0737705), wk = 0.0026455 k( 11) = ( 0.0000000 0.0000000 0.0819672), wk = 0.0026455 k( 12) = ( 0.0000000 0.0000000 0.0901639), wk = 0.0026455 k( 13) = ( 0.0000000 0.0000000 0.0983607), wk = 0.0026455 k( 14) = ( 0.0000000 0.0000000 0.1065574), wk = 0.0026455 k( 15) = ( 0.0000000 0.0000000 0.1147541), wk = 0.0026455 k( 16) = ( 0.0000000 0.0000000 0.1229508), wk = 0.0026455 k( 17) = ( 0.0000000 0.0000000 0.1311475), wk = 0.0026455 k( 18) = ( 0.0000000 0.0000000 0.1393443), wk = 0.0026455 k( 19) = ( 0.0000000 0.0000000 0.1475410), wk = 0.0026455 k( 20) = ( 0.0000000 0.0000000 0.1557377), wk = 0.0026455 k( 21) = ( 0.0000000 0.0000000 0.1639344), wk = 0.0026455 k( 22) = ( 0.0000000 0.0000000 0.1721312), wk = 0.0026455 k( 23) = ( 0.0000000 0.0000000 0.1803279), wk = 0.0026455 k( 24) = ( 0.0000000 0.0000000 0.1885246), wk = 0.0026455 k( 25) = ( 0.0000000 0.0000000 0.1967213), wk = 0.0026455 k( 26) = ( 0.0000000 0.0000000 0.2049180), wk = 0.0026455 k( 27) = ( 0.0000000 0.0000000 0.2131147), wk = 0.0026455 k( 28) = ( 0.0000000 0.0000000 0.2213115), wk = 0.0026455 k( 29) = ( 0.0000000 0.0000000 0.2295082), wk = 0.0026455 k( 30) = ( 0.0000000 0.0000000 0.2377049), wk = 0.0026455 k( 31) = ( 0.0000000 0.0000000 0.2459016), wk = 0.0026455 k( 32) = ( 0.0000000 0.0000000 0.2540984), wk = 0.0026455 k( 33) = ( 0.0000000 0.0000000 0.2622951), wk = 0.0026455 k( 34) = ( 0.0000000 0.0000000 0.2704918), wk = 0.0026455 k( 35) = ( 0.0000000 0.0000000 0.2786885), wk = 0.0026455 k( 36) = ( 0.0000000 0.0000000 0.2868852), wk = 0.0026455 k( 37) = ( 0.0000000 0.0000000 0.2950820), wk = 0.0026455 k( 38) = ( 0.0000000 0.0000000 0.3032787), wk = 0.0026455 k( 39) = ( 0.0000000 0.0000000 0.3114754), wk = 0.0026455 k( 40) = ( 0.0000000 0.0000000 0.3196721), wk = 0.0026455 k( 41) = ( 0.0000000 0.0000000 0.3278688), wk = 0.0026455 k( 42) = ( 0.0000000 0.0000000 0.3360656), wk = 0.0026455 k( 43) = ( 0.0000000 0.0000000 0.3442623), wk = 0.0026455 k( 44) = ( 0.0000000 0.0000000 0.3524590), wk = 0.0026455 k( 45) = ( 0.0000000 0.0000000 0.3606557), wk = 0.0026455 k( 46) = ( 0.0000000 0.0000000 0.3688525), wk = 0.0026455 k( 47) = ( 0.0000000 0.0000000 0.3770492), wk = 0.0026455 k( 48) = ( 0.0000000 0.0000000 0.3852459), wk = 0.0026455 k( 49) = ( 0.0000000 0.0000000 0.3934426), wk = 0.0026455 k( 50) = ( 0.0000000 0.0000000 0.4016393), wk = 0.0026455 k( 51) = ( 0.0000000 0.0000000 0.4098361), wk = 0.0026455 k( 52) = ( 0.0000000 0.0000000 0.4180328), wk = 0.0026455 k( 53) = ( 0.0000000 0.0000000 0.4262295), wk = 0.0026455 k( 54) = ( 0.0000000 0.0000000 0.4344262), wk = 0.0026455 k( 55) = ( 0.0000000 0.0000000 0.4426230), wk = 0.0026455 k( 56) = ( 0.0000000 0.0000000 0.4508197), wk = 0.0026455 k( 57) = ( 0.0000000 0.0000000 0.4590164), wk = 0.0026455 k( 58) = ( 0.0000000 0.0000000 0.4672131), wk = 0.0026455 k( 59) = ( 0.0000000 0.0000000 0.4754098), wk = 0.0026455 k( 60) = ( 0.0000000 0.0000000 0.4836066), wk = 0.0026455 k( 61) = ( 0.0000000 0.0000000 0.4918033), wk = 0.0026455 k( 62) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 63) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 64) = ( -0.0080534 0.0080534 0.5000000), wk = 0.0026455 k( 65) = ( -0.0161069 0.0161069 0.5000000), wk = 0.0026455 k( 66) = ( -0.0241603 0.0241603 0.5000000), wk = 0.0026455 k( 67) = ( -0.0322137 0.0322137 0.5000000), wk = 0.0026455 k( 68) = ( -0.0402672 0.0402672 0.5000000), wk = 0.0026455 k( 69) = ( -0.0483206 0.0483206 0.5000000), wk = 0.0026455 k( 70) = ( -0.0563740 0.0563740 0.5000000), wk = 0.0026455 k( 71) = ( -0.0563740 0.0563740 0.5000000), wk = 0.0026455 k( 72) = ( -0.0620616 0.0620616 0.4943125), wk = 0.0026455 k( 73) = ( -0.0677491 0.0677491 0.4886250), wk = 0.0026455 k( 74) = ( -0.0734366 0.0734366 0.4829375), wk = 0.0026455 k( 75) = ( -0.0791241 0.0791241 0.4772500), wk = 0.0026455 k( 76) = ( -0.0848116 0.0848116 0.4715624), wk = 0.0026455 k( 77) = ( -0.0904991 0.0904991 0.4658749), wk = 0.0026455 k( 78) = ( -0.0961866 0.0961866 0.4601874), wk = 0.0026455 k( 79) = ( -0.1018741 0.1018741 0.4544999), wk = 0.0026455 k( 80) = ( -0.1075616 0.1075616 0.4488124), wk = 0.0026455 k( 81) = ( -0.1132492 0.1132492 0.4431249), wk = 0.0026455 k( 82) = ( -0.1189367 0.1189367 0.4374374), wk = 0.0026455 k( 83) = ( -0.1246242 0.1246242 0.4317498), wk = 0.0026455 k( 84) = ( -0.1303117 0.1303117 0.4260623), wk = 0.0026455 k( 85) = ( -0.1359992 0.1359992 0.4203748), wk = 0.0026455 k( 86) = ( -0.1416867 0.1416867 0.4146873), wk = 0.0026455 k( 87) = ( -0.1473742 0.1473742 0.4089998), wk = 0.0026455 k( 88) = ( -0.1530617 0.1530617 0.4033123), wk = 0.0026455 k( 89) = ( -0.1587493 0.1587493 0.3976248), wk = 0.0026455 k( 90) = ( -0.1644368 0.1644368 0.3919373), wk = 0.0026455 k( 91) = ( -0.1701243 0.1701243 0.3862498), wk = 0.0026455 k( 92) = ( -0.1758118 0.1758118 0.3805622), wk = 0.0026455 k( 93) = ( -0.1814993 0.1814993 0.3748747), wk = 0.0026455 k( 94) = ( -0.1871868 0.1871868 0.3691872), wk = 0.0026455 k( 95) = ( -0.1928743 0.1928743 0.3634997), wk = 0.0026455 k( 96) = ( -0.1985619 0.1985618 0.3578122), wk = 0.0026455 k( 97) = ( -0.2042494 0.2042494 0.3521247), wk = 0.0026455 k( 98) = ( -0.2099369 0.2099369 0.3464372), wk = 0.0026455 k( 99) = ( -0.2156244 0.2156244 0.3407497), wk = 0.0026455 k( 100) = ( -0.2213119 0.2213119 0.3350621), wk = 0.0026455 k( 101) = ( -0.2269994 0.2269994 0.3293746), wk = 0.0026455 k( 102) = ( -0.2326869 0.2326869 0.3236871), wk = 0.0026455 k( 103) = ( -0.2383744 0.2383744 0.3179996), wk = 0.0026455 k( 104) = ( -0.2440619 0.2440619 0.3123121), wk = 0.0026455 k( 105) = ( -0.2497495 0.2497495 0.3066246), wk = 0.0026455 k( 106) = ( -0.2554370 0.2554370 0.3009371), wk = 0.0026455 k( 107) = ( -0.2611245 0.2611245 0.2952496), wk = 0.0026455 k( 108) = ( -0.2668120 0.2668120 0.2895621), wk = 0.0026455 k( 109) = ( -0.2724995 0.2724995 0.2838745), wk = 0.0026455 k( 110) = ( -0.2781870 0.2781870 0.2781870), wk = 0.0026455 k( 111) = ( -0.2781870 0.2781870 0.2781870), wk = 0.0026455 k( 112) = ( -0.2723915 0.2723915 0.2723915), wk = 0.0026455 k( 113) = ( -0.2665959 0.2665959 0.2665959), wk = 0.0026455 k( 114) = ( -0.2608003 0.2608003 0.2608003), wk = 0.0026455 k( 115) = ( -0.2550048 0.2550048 0.2550048), wk = 0.0026455 k( 116) = ( -0.2492092 0.2492092 0.2492092), wk = 0.0026455 k( 117) = ( -0.2434136 0.2434136 0.2434136), wk = 0.0026455 k( 118) = ( -0.2376181 0.2376181 0.2376181), wk = 0.0026455 k( 119) = ( -0.2318225 0.2318225 0.2318225), wk = 0.0026455 k( 120) = ( -0.2260270 0.2260269 0.2260270), wk = 0.0026455 k( 121) = ( -0.2202314 0.2202314 0.2202314), wk = 0.0026455 k( 122) = ( -0.2144358 0.2144358 0.2144358), wk = 0.0026455 k( 123) = ( -0.2086403 0.2086403 0.2086403), wk = 0.0026455 k( 124) = ( -0.2028447 0.2028447 0.2028447), wk = 0.0026455 k( 125) = ( -0.1970491 0.1970491 0.1970491), wk = 0.0026455 k( 126) = ( -0.1912536 0.1912536 0.1912536), wk = 0.0026455 k( 127) = ( -0.1854580 0.1854580 0.1854580), wk = 0.0026455 k( 128) = ( -0.1796625 0.1796624 0.1796624), wk = 0.0026455 k( 129) = ( -0.1738669 0.1738669 0.1738669), wk = 0.0026455 k( 130) = ( -0.1680713 0.1680713 0.1680713), wk = 0.0026455 k( 131) = ( -0.1622758 0.1622758 0.1622758), wk = 0.0026455 k( 132) = ( -0.1564802 0.1564802 0.1564802), wk = 0.0026455 k( 133) = ( -0.1506846 0.1506846 0.1506846), wk = 0.0026455 k( 134) = ( -0.1448891 0.1448891 0.1448891), wk = 0.0026455 k( 135) = ( -0.1390935 0.1390935 0.1390935), wk = 0.0026455 k( 136) = ( -0.1332979 0.1332979 0.1332979), wk = 0.0026455 k( 137) = ( -0.1275024 0.1275024 0.1275024), wk = 0.0026455 k( 138) = ( -0.1217068 0.1217068 0.1217068), wk = 0.0026455 k( 139) = ( -0.1159113 0.1159113 0.1159113), wk = 0.0026455 k( 140) = ( -0.1101157 0.1101157 0.1101157), wk = 0.0026455 k( 141) = ( -0.1043201 0.1043201 0.1043201), wk = 0.0026455 k( 142) = ( -0.0985246 0.0985246 0.0985246), wk = 0.0026455 k( 143) = ( -0.0927290 0.0927290 0.0927290), wk = 0.0026455 k( 144) = ( -0.0869334 0.0869334 0.0869334), wk = 0.0026455 k( 145) = ( -0.0811379 0.0811379 0.0811379), wk = 0.0026455 k( 146) = ( -0.0753423 0.0753423 0.0753423), wk = 0.0026455 k( 147) = ( -0.0695468 0.0695468 0.0695468), wk = 0.0026455 k( 148) = ( -0.0637512 0.0637512 0.0637512), wk = 0.0026455 k( 149) = ( -0.0579556 0.0579556 0.0579556), wk = 0.0026455 k( 150) = ( -0.0521601 0.0521601 0.0521601), wk = 0.0026455 k( 151) = ( -0.0463645 0.0463645 0.0463645), wk = 0.0026455 k( 152) = ( -0.0405689 0.0405689 0.0405689), wk = 0.0026455 k( 153) = ( -0.0347734 0.0347734 0.0347734), wk = 0.0026455 k( 154) = ( -0.0289778 0.0289778 0.0289778), wk = 0.0026455 k( 155) = ( -0.0231823 0.0231822 0.0231823), wk = 0.0026455 k( 156) = ( -0.0173867 0.0173867 0.0173867), wk = 0.0026455 k( 157) = ( -0.0115911 0.0115911 0.0115911), wk = 0.0026455 k( 158) = ( -0.0057956 0.0057956 0.0057956), wk = 0.0026455 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 160) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026455 k( 161) = ( 0.0172414 0.0172414 -0.0172414), wk = 0.0026455 k( 162) = ( 0.0344828 0.0344828 -0.0344828), wk = 0.0026455 k( 163) = ( 0.0517241 0.0517241 -0.0517241), wk = 0.0026455 k( 164) = ( 0.0689655 0.0689655 -0.0689655), wk = 0.0026455 k( 165) = ( 0.0862069 0.0862069 -0.0862069), wk = 0.0026455 k( 166) = ( 0.1034483 0.1034483 -0.1034483), wk = 0.0026455 k( 167) = ( 0.1206897 0.1206897 -0.1206897), wk = 0.0026455 k( 168) = ( 0.1379310 0.1379310 -0.1379310), wk = 0.0026455 k( 169) = ( 0.1551724 0.1551724 -0.1551724), wk = 0.0026455 k( 170) = ( 0.1724138 0.1724138 -0.1724138), wk = 0.0026455 k( 171) = ( 0.1896552 0.1896552 -0.1896552), wk = 0.0026455 k( 172) = ( 0.2068966 0.2068966 -0.2068966), wk = 0.0026455 k( 173) = ( 0.2241379 0.2241379 -0.2241379), wk = 0.0026455 k( 174) = ( 0.2413793 0.2413793 -0.2413793), wk = 0.0026455 k( 175) = ( 0.2586207 0.2586207 -0.2586207), wk = 0.0026455 k( 176) = ( 0.2758621 0.2758621 -0.2758621), wk = 0.0026455 k( 177) = ( 0.2931034 0.2931035 -0.2931035), wk = 0.0026455 k( 178) = ( 0.3103448 0.3103448 -0.3103448), wk = 0.0026455 k( 179) = ( 0.3275862 0.3275862 -0.3275862), wk = 0.0026455 k( 180) = ( 0.3448276 0.3448276 -0.3448276), wk = 0.0026455 k( 181) = ( 0.3620690 0.3620690 -0.3620690), wk = 0.0026455 k( 182) = ( 0.3793103 0.3793103 -0.3793103), wk = 0.0026455 k( 183) = ( 0.3965517 0.3965517 -0.3965517), wk = 0.0026455 k( 184) = ( 0.4137931 0.4137931 -0.4137931), wk = 0.0026455 k( 185) = ( 0.4310345 0.4310345 -0.4310345), wk = 0.0026455 k( 186) = ( 0.4482759 0.4482759 -0.4482759), wk = 0.0026455 k( 187) = ( 0.4655172 0.4655172 -0.4655172), wk = 0.0026455 k( 188) = ( 0.4827586 0.4827586 -0.4827586), wk = 0.0026455 k( 189) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 190) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 191) = ( 0.4943125 0.5056875 -0.4943125), wk = 0.0026455 k( 192) = ( 0.4886250 0.5113750 -0.4886250), wk = 0.0026455 k( 193) = ( 0.4829375 0.5170625 -0.4829375), wk = 0.0026455 k( 194) = ( 0.4772499 0.5227500 -0.4772500), wk = 0.0026455 k( 195) = ( 0.4715624 0.5284376 -0.4715624), wk = 0.0026455 k( 196) = ( 0.4658749 0.5341251 -0.4658749), wk = 0.0026455 k( 197) = ( 0.4601874 0.5398126 -0.4601874), wk = 0.0026455 k( 198) = ( 0.4544999 0.5455001 -0.4544999), wk = 0.0026455 k( 199) = ( 0.4488124 0.5511876 -0.4488124), wk = 0.0026455 k( 200) = ( 0.4431249 0.5568751 -0.4431249), wk = 0.0026455 k( 201) = ( 0.4374374 0.5625626 -0.4374374), wk = 0.0026455 k( 202) = ( 0.4317498 0.5682502 -0.4317499), wk = 0.0026455 k( 203) = ( 0.4260623 0.5739377 -0.4260623), wk = 0.0026455 k( 204) = ( 0.4203748 0.5796252 -0.4203748), wk = 0.0026455 k( 205) = ( 0.4146873 0.5853127 -0.4146873), wk = 0.0026455 k( 206) = ( 0.4089998 0.5910002 -0.4089998), wk = 0.0026455 k( 207) = ( 0.4033123 0.5966877 -0.4033123), wk = 0.0026455 k( 208) = ( 0.3976248 0.6023752 -0.3976248), wk = 0.0026455 k( 209) = ( 0.3919373 0.6080627 -0.3919373), wk = 0.0026455 k( 210) = ( 0.3862498 0.6137503 -0.3862498), wk = 0.0026455 k( 211) = ( 0.3805622 0.6194378 -0.3805622), wk = 0.0026455 k( 212) = ( 0.3748747 0.6251253 -0.3748747), wk = 0.0026455 k( 213) = ( 0.3691872 0.6308128 -0.3691872), wk = 0.0026455 k( 214) = ( 0.3634997 0.6365003 -0.3634997), wk = 0.0026455 k( 215) = ( 0.3578122 0.6421878 -0.3578122), wk = 0.0026455 k( 216) = ( 0.3521247 0.6478753 -0.3521247), wk = 0.0026455 k( 217) = ( 0.3464372 0.6535628 -0.3464372), wk = 0.0026455 k( 218) = ( 0.3407497 0.6592503 -0.3407497), wk = 0.0026455 k( 219) = ( 0.3350621 0.6649379 -0.3350621), wk = 0.0026455 k( 220) = ( 0.3293746 0.6706254 -0.3293746), wk = 0.0026455 k( 221) = ( 0.3236871 0.6763129 -0.3236871), wk = 0.0026455 k( 222) = ( 0.3179996 0.6820004 -0.3179996), wk = 0.0026455 k( 223) = ( 0.3123121 0.6876879 -0.3123121), wk = 0.0026455 k( 224) = ( 0.3066246 0.6933754 -0.3066246), wk = 0.0026455 k( 225) = ( 0.3009371 0.6990629 -0.3009371), wk = 0.0026455 k( 226) = ( 0.2952496 0.7047504 -0.2952496), wk = 0.0026455 k( 227) = ( 0.2895621 0.7104380 -0.2895621), wk = 0.0026455 k( 228) = ( 0.2838745 0.7161255 -0.2838745), wk = 0.0026455 k( 229) = ( 0.2781870 0.7218130 -0.2781870), wk = 0.0026455 k( 230) = ( 0.2781870 0.7218130 -0.2781870), wk = 0.0026455 k( 231) = ( 0.2608003 0.7079497 -0.2608003), wk = 0.0026455 k( 232) = ( 0.2434136 0.6940864 -0.2434136), wk = 0.0026455 k( 233) = ( 0.2260270 0.6802231 -0.2260270), wk = 0.0026455 k( 234) = ( 0.2086403 0.6663597 -0.2086403), wk = 0.0026455 k( 235) = ( 0.1912536 0.6524964 -0.1912536), wk = 0.0026455 k( 236) = ( 0.1738669 0.6386331 -0.1738669), wk = 0.0026455 k( 237) = ( 0.1564802 0.6247698 -0.1564802), wk = 0.0026455 k( 238) = ( 0.1390935 0.6109065 -0.1390935), wk = 0.0026455 k( 239) = ( 0.1217068 0.5970432 -0.1217068), wk = 0.0026455 k( 240) = ( 0.1043201 0.5831799 -0.1043201), wk = 0.0026455 k( 241) = ( 0.0869334 0.5693166 -0.0869334), wk = 0.0026455 k( 242) = ( 0.0695468 0.5554532 -0.0695468), wk = 0.0026455 k( 243) = ( 0.0521601 0.5415899 -0.0521601), wk = 0.0026455 k( 244) = ( 0.0347734 0.5277266 -0.0347734), wk = 0.0026455 k( 245) = ( 0.0173867 0.5138633 -0.0173867), wk = 0.0026455 k( 246) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 247) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026455 k( 248) = ( 0.0058140 0.4941861 0.0058139), wk = 0.0026455 k( 249) = ( 0.0116279 0.4883721 0.0116279), wk = 0.0026455 k( 250) = ( 0.0174419 0.4825581 0.0174419), wk = 0.0026455 k( 251) = ( 0.0232558 0.4767442 0.0232558), wk = 0.0026455 k( 252) = ( 0.0290698 0.4709302 0.0290698), wk = 0.0026455 k( 253) = ( 0.0348837 0.4651163 0.0348837), wk = 0.0026455 k( 254) = ( 0.0406977 0.4593023 0.0406977), wk = 0.0026455 k( 255) = ( 0.0465116 0.4534884 0.0465116), wk = 0.0026455 k( 256) = ( 0.0523256 0.4476744 0.0523256), wk = 0.0026455 k( 257) = ( 0.0581395 0.4418605 0.0581395), wk = 0.0026455 k( 258) = ( 0.0639535 0.4360465 0.0639535), wk = 0.0026455 k( 259) = ( 0.0697674 0.4302326 0.0697674), wk = 0.0026455 k( 260) = ( 0.0755814 0.4244186 0.0755814), wk = 0.0026455 k( 261) = ( 0.0813954 0.4186047 0.0813954), wk = 0.0026455 k( 262) = ( 0.0872093 0.4127907 0.0872093), wk = 0.0026455 k( 263) = ( 0.0930233 0.4069767 0.0930233), wk = 0.0026455 k( 264) = ( 0.0988372 0.4011628 0.0988372), wk = 0.0026455 k( 265) = ( 0.1046512 0.3953488 0.1046512), wk = 0.0026455 k( 266) = ( 0.1104651 0.3895349 0.1104651), wk = 0.0026455 k( 267) = ( 0.1162791 0.3837209 0.1162791), wk = 0.0026455 k( 268) = ( 0.1220930 0.3779070 0.1220930), wk = 0.0026455 k( 269) = ( 0.1279070 0.3720930 0.1279070), wk = 0.0026455 k( 270) = ( 0.1337209 0.3662791 0.1337209), wk = 0.0026455 k( 271) = ( 0.1395349 0.3604651 0.1395349), wk = 0.0026455 k( 272) = ( 0.1453488 0.3546512 0.1453488), wk = 0.0026455 k( 273) = ( 0.1511628 0.3488372 0.1511628), wk = 0.0026455 k( 274) = ( 0.1569767 0.3430233 0.1569767), wk = 0.0026455 k( 275) = ( 0.1627907 0.3372093 0.1627907), wk = 0.0026455 k( 276) = ( 0.1686046 0.3313953 0.1686046), wk = 0.0026455 k( 277) = ( 0.1744186 0.3255814 0.1744186), wk = 0.0026455 k( 278) = ( 0.1802326 0.3197674 0.1802326), wk = 0.0026455 k( 279) = ( 0.1860465 0.3139535 0.1860465), wk = 0.0026455 k( 280) = ( 0.1918605 0.3081395 0.1918605), wk = 0.0026455 k( 281) = ( 0.1976744 0.3023256 0.1976744), wk = 0.0026455 k( 282) = ( 0.2034884 0.2965116 0.2034884), wk = 0.0026455 k( 283) = ( 0.2093023 0.2906977 0.2093023), wk = 0.0026455 k( 284) = ( 0.2151163 0.2848837 0.2151163), wk = 0.0026455 k( 285) = ( 0.2209302 0.2790698 0.2209302), wk = 0.0026455 k( 286) = ( 0.2267442 0.2732558 0.2267442), wk = 0.0026455 k( 287) = ( 0.2325581 0.2674419 0.2325581), wk = 0.0026455 k( 288) = ( 0.2383721 0.2616279 0.2383721), wk = 0.0026455 k( 289) = ( 0.2441860 0.2558140 0.2441860), wk = 0.0026455 k( 290) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 291) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 k( 292) = ( 0.2656250 0.2656250 0.2308516), wk = 0.0026455 k( 293) = ( 0.2812500 0.2812500 0.2117032), wk = 0.0026455 k( 294) = ( 0.2968750 0.2968750 0.1925549), wk = 0.0026455 k( 295) = ( 0.3125000 0.3125000 0.1734065), wk = 0.0026455 k( 296) = ( 0.3281250 0.3281250 0.1542581), wk = 0.0026455 k( 297) = ( 0.3437500 0.3437500 0.1351097), wk = 0.0026455 k( 298) = ( 0.3593750 0.3593750 0.1159614), wk = 0.0026455 k( 299) = ( 0.3750000 0.3750000 0.0968130), wk = 0.0026455 k( 300) = ( 0.3906250 0.3906250 0.0776646), wk = 0.0026455 k( 301) = ( 0.4062500 0.4062500 0.0585162), wk = 0.0026455 k( 302) = ( 0.4218750 0.4218750 0.0393678), wk = 0.0026455 k( 303) = ( 0.4375000 0.4375000 0.0202195), wk = 0.0026455 k( 304) = ( 0.4531250 0.4531250 0.0010711), wk = 0.0026455 k( 305) = ( 0.4687500 0.4687500 -0.0180773), wk = 0.0026455 k( 306) = ( 0.4843750 0.4843750 -0.0372257), wk = 0.0026455 k( 307) = ( 0.5000000 0.5000000 -0.0563740), wk = 0.0026455 k( 308) = ( 0.5000000 0.5000000 -0.0563740), wk = 0.0026455 k( 309) = ( 0.5000000 0.5000000 -0.0645893), wk = 0.0026455 k( 310) = ( 0.5000000 0.5000000 -0.0728046), wk = 0.0026455 k( 311) = ( 0.5000000 0.5000000 -0.0810199), wk = 0.0026455 k( 312) = ( 0.5000000 0.5000000 -0.0892352), wk = 0.0026455 k( 313) = ( 0.5000000 0.5000000 -0.0974505), wk = 0.0026455 k( 314) = ( 0.5000000 0.5000000 -0.1056658), wk = 0.0026455 k( 315) = ( 0.5000000 0.5000000 -0.1138811), wk = 0.0026455 k( 316) = ( 0.5000000 0.5000000 -0.1220964), wk = 0.0026455 k( 317) = ( 0.5000000 0.5000000 -0.1303117), wk = 0.0026455 k( 318) = ( 0.5000000 0.5000000 -0.1385270), wk = 0.0026455 k( 319) = ( 0.5000000 0.5000000 -0.1467423), wk = 0.0026455 k( 320) = ( 0.5000000 0.5000000 -0.1549576), wk = 0.0026455 k( 321) = ( 0.5000000 0.5000000 -0.1631729), wk = 0.0026455 k( 322) = ( 0.5000000 0.5000000 -0.1713882), wk = 0.0026455 k( 323) = ( 0.5000000 0.5000000 -0.1796035), wk = 0.0026455 k( 324) = ( 0.5000000 0.5000000 -0.1878188), wk = 0.0026455 k( 325) = ( 0.5000000 0.5000000 -0.1960341), wk = 0.0026455 k( 326) = ( 0.5000000 0.5000000 -0.2042494), wk = 0.0026455 k( 327) = ( 0.5000000 0.5000000 -0.2124647), wk = 0.0026455 k( 328) = ( 0.5000000 0.5000000 -0.2206800), wk = 0.0026455 k( 329) = ( 0.5000000 0.5000000 -0.2288952), wk = 0.0026455 k( 330) = ( 0.5000000 0.5000000 -0.2371105), wk = 0.0026455 k( 331) = ( 0.5000000 0.5000000 -0.2453258), wk = 0.0026455 k( 332) = ( 0.5000000 0.5000000 -0.2535411), wk = 0.0026455 k( 333) = ( 0.5000000 0.5000000 -0.2617564), wk = 0.0026455 k( 334) = ( 0.5000000 0.5000000 -0.2699717), wk = 0.0026455 k( 335) = ( 0.5000000 0.5000000 -0.2781870), wk = 0.0026455 k( 336) = ( 0.5000000 0.5000000 -0.2864023), wk = 0.0026455 k( 337) = ( 0.5000000 0.5000000 -0.2946176), wk = 0.0026455 k( 338) = ( 0.5000000 0.5000000 -0.3028329), wk = 0.0026455 k( 339) = ( 0.5000000 0.5000000 -0.3110482), wk = 0.0026455 k( 340) = ( 0.5000000 0.5000000 -0.3192635), wk = 0.0026455 k( 341) = ( 0.5000000 0.5000000 -0.3274788), wk = 0.0026455 k( 342) = ( 0.5000000 0.5000000 -0.3356941), wk = 0.0026455 k( 343) = ( 0.5000000 0.5000000 -0.3439094), wk = 0.0026455 k( 344) = ( 0.5000000 0.5000000 -0.3521247), wk = 0.0026455 k( 345) = ( 0.5000000 0.5000000 -0.3603400), wk = 0.0026455 k( 346) = ( 0.5000000 0.5000000 -0.3685553), wk = 0.0026455 k( 347) = ( 0.5000000 0.5000000 -0.3767706), wk = 0.0026455 k( 348) = ( 0.5000000 0.5000000 -0.3849859), wk = 0.0026455 k( 349) = ( 0.5000000 0.5000000 -0.3932012), wk = 0.0026455 k( 350) = ( 0.5000000 0.5000000 -0.4014164), wk = 0.0026455 k( 351) = ( 0.5000000 0.5000000 -0.4096318), wk = 0.0026455 k( 352) = ( 0.5000000 0.5000000 -0.4178470), wk = 0.0026455 k( 353) = ( 0.5000000 0.5000000 -0.4260623), wk = 0.0026455 k( 354) = ( 0.5000000 0.5000000 -0.4342776), wk = 0.0026455 k( 355) = ( 0.5000000 0.5000000 -0.4424929), wk = 0.0026455 k( 356) = ( 0.5000000 0.5000000 -0.4507082), wk = 0.0026455 k( 357) = ( 0.5000000 0.5000000 -0.4589235), wk = 0.0026455 k( 358) = ( 0.5000000 0.5000000 -0.4671388), wk = 0.0026455 k( 359) = ( 0.5000000 0.5000000 -0.4753541), wk = 0.0026455 k( 360) = ( 0.5000000 0.5000000 -0.4835694), wk = 0.0026455 k( 361) = ( 0.5000000 0.5000000 -0.4917847), wk = 0.0026455 k( 362) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0026455 k( 363) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026455 k( 364) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0026455 k( 365) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0026455 k( 366) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0026455 k( 367) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0026455 k( 368) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0026455 k( 369) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0026455 k( 370) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0026455 k( 371) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0026455 k( 372) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0026455 k( 373) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0026455 k( 374) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0026455 k( 375) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0026455 k( 376) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0026455 k( 377) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0026455 k( 378) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0026455 Dense grid: 70595 G-vectors FFT dimensions: ( 75, 75, 75) Smooth grid: 23487 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 172, 46) NL pseudopotentials 0.13 Mb ( 86, 96) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1962) G-vector shells 0.01 Mb ( 921) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.48 Mb ( 172, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.13 Mb ( 96, 2, 46) The potential is recalculated from file : ./HgF.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 4.0 secs Computing kpt #: 4 total cpu time spent up to now is 4.6 secs Computing kpt #: 5 total cpu time spent up to now is 5.2 secs Computing kpt #: 6 total cpu time spent up to now is 5.8 secs Computing kpt #: 7 total cpu time spent up to now is 6.3 secs Computing kpt #: 8 total cpu time spent up to now is 6.9 secs Computing kpt #: 9 total cpu time spent up to now is 7.5 secs Computing kpt #: 10 total cpu time spent up to now is 8.0 secs Computing kpt #: 11 total cpu time spent up to now is 8.6 secs Computing kpt #: 12 total cpu time spent up to now is 9.2 secs Computing kpt #: 13 total cpu time spent up to now is 9.8 secs Computing kpt #: 14 total cpu time spent up to now is 10.3 secs Computing kpt #: 15 total cpu time spent up to now is 10.9 secs Computing kpt #: 16 total cpu time spent up to now is 11.5 secs Computing kpt #: 17 total cpu time spent up to now is 12.0 secs Computing kpt #: 18 total cpu time spent up to now is 12.6 secs Computing kpt #: 19 total cpu time spent up to now is 13.2 secs Computing kpt #: 20 total cpu time spent up to now is 13.7 secs Computing kpt #: 21 total cpu time spent up to now is 14.3 secs Computing kpt #: 22 total cpu time spent up to now is 14.9 secs Computing kpt #: 23 total cpu time spent up to now is 15.4 secs Computing kpt #: 24 total cpu time spent up to now is 16.0 secs Computing kpt #: 25 total cpu time spent up to now is 16.6 secs Computing kpt #: 26 total cpu time spent up to now is 17.1 secs Computing kpt #: 27 total cpu time spent up to now is 17.7 secs Computing kpt #: 28 total cpu time spent up to now is 18.3 secs Computing kpt #: 29 total cpu time spent up to now is 18.8 secs Computing kpt #: 30 total cpu time spent up to now is 19.4 secs Computing kpt #: 31 total cpu time spent up to now is 20.0 secs Computing kpt #: 32 total cpu time spent up to now is 20.6 secs Computing kpt #: 33 total cpu time spent up to now is 21.2 secs Computing kpt #: 34 total cpu time spent up to now is 21.8 secs Computing kpt #: 35 total cpu time spent up to now is 22.3 secs Computing kpt #: 36 total cpu time spent up to now is 22.9 secs Computing kpt #: 37 total cpu time spent up to now is 23.5 secs Computing kpt #: 38 total cpu time spent up to now is 24.1 secs Computing kpt #: 39 total cpu time spent up to now is 24.7 secs Computing kpt #: 40 total cpu time spent up to now is 25.3 secs Computing kpt #: 41 total cpu time spent up to now is 25.9 secs Computing kpt #: 42 total cpu time spent up to now is 26.4 secs Computing kpt #: 43 total cpu time spent up to now is 27.0 secs Computing kpt #: 44 total cpu time spent up to now is 27.6 secs Computing kpt #: 45 total cpu time spent up to now is 28.2 secs Computing kpt #: 46 total cpu time spent up to now is 28.8 secs Computing kpt #: 47 total cpu time spent up to now is 29.4 secs Computing kpt #: 48 total cpu time spent up to now is 29.9 secs Computing kpt #: 49 total cpu time spent up to now is 30.5 secs Computing kpt #: 50 total cpu time spent up to now is 31.1 secs Computing kpt #: 51 total cpu time spent up to now is 31.7 secs Computing kpt #: 52 total cpu time spent up to now is 32.3 secs Computing kpt #: 53 total cpu time spent up to now is 32.8 secs Computing kpt #: 54 total cpu time spent up to now is 33.4 secs Computing kpt #: 55 total cpu time spent up to now is 34.0 secs Computing kpt #: 56 total cpu time spent up to now is 34.5 secs Computing kpt #: 57 total cpu time spent up to now is 35.1 secs Computing kpt #: 58 total cpu time spent up to now is 35.7 secs Computing kpt #: 59 total cpu time spent up to now is 36.2 secs Computing kpt #: 60 total cpu time spent up to now is 36.8 secs Computing kpt #: 61 total cpu time spent up to now is 37.4 secs Computing kpt #: 62 total cpu time spent up to now is 37.9 secs Computing kpt #: 63 total cpu time spent up to now is 38.5 secs Computing kpt #: 64 total cpu time spent up to now is 39.1 secs Computing kpt #: 65 total cpu time spent up to now is 39.7 secs Computing kpt #: 66 total cpu time spent up to now is 40.2 secs Computing kpt #: 67 total cpu time spent up to now is 40.8 secs Computing kpt #: 68 total cpu time spent up to now is 41.4 secs Computing kpt #: 69 total cpu time spent up to now is 41.9 secs Computing kpt #: 70 total cpu time spent up to now is 42.5 secs Computing kpt #: 71 total cpu time spent up to now is 43.1 secs Computing kpt #: 72 total cpu time spent up to now is 43.7 secs Computing kpt #: 73 total cpu time spent up to now is 44.2 secs Computing kpt #: 74 total cpu time spent up to now is 44.8 secs Computing kpt #: 75 total cpu time spent up to now is 45.4 secs Computing kpt #: 76 total cpu time spent up to now is 45.9 secs Computing kpt #: 77 total cpu time spent up to now is 46.5 secs Computing kpt #: 78 total cpu time spent up to now is 47.1 secs Computing kpt #: 79 total cpu time spent up to now is 47.7 secs Computing kpt #: 80 total cpu time spent up to now is 48.2 secs Computing kpt #: 81 total cpu time spent up to now is 48.8 secs Computing kpt #: 82 total cpu time spent up to now is 49.4 secs Computing kpt #: 83 total cpu time spent up to now is 50.0 secs Computing kpt #: 84 total cpu time spent up to now is 50.6 secs Computing kpt #: 85 total cpu time spent up to now is 51.1 secs Computing kpt #: 86 total cpu time spent up to now is 51.7 secs Computing kpt #: 87 total cpu time spent up to now is 52.3 secs Computing kpt #: 88 total cpu time spent up to now is 52.9 secs Computing kpt #: 89 total cpu time spent up to now is 53.5 secs Computing kpt #: 90 total cpu time spent up to now is 54.1 secs Computing kpt #: 91 total cpu time spent up to now is 54.7 secs Computing kpt #: 92 total cpu time spent up to now is 55.3 secs Computing kpt #: 93 total cpu time spent up to now is 55.9 secs Computing kpt #: 94 total cpu time spent up to now is 56.5 secs Computing kpt #: 95 total cpu time spent up to now is 57.1 secs Computing kpt #: 96 total cpu time spent up to now is 57.7 secs Computing kpt #: 97 total cpu time spent up to now is 58.4 secs Computing kpt #: 98 total cpu time spent up to now is 59.1 secs Computing kpt #: 99 total cpu time spent up to now is 59.8 secs Computing kpt #: 100 total cpu time spent up to now is 60.5 secs Computing kpt #: 101 total cpu time spent up to now is 61.2 secs Computing kpt #: 102 total cpu time spent up to now is 61.9 secs Computing kpt #: 103 total cpu time spent up to now is 62.5 secs Computing kpt #: 104 total cpu time spent up to now is 63.2 secs Computing kpt #: 105 total cpu time spent up to now is 63.9 secs Computing kpt #: 106 total cpu time spent up to now is 64.5 secs Computing kpt #: 107 total cpu time spent up to now is 65.1 secs Computing kpt #: 108 total cpu time spent up to now is 65.7 secs Computing kpt #: 109 total cpu time spent up to now is 66.3 secs Computing kpt #: 110 total cpu time spent up to now is 66.9 secs Computing kpt #: 111 total cpu time spent up to now is 67.5 secs Computing kpt #: 112 total cpu time spent up to now is 68.1 secs Computing kpt #: 113 total cpu time spent up to now is 68.7 secs Computing kpt #: 114 total cpu time spent up to now is 69.3 secs Computing kpt #: 115 total cpu time spent up to now is 69.9 secs Computing kpt #: 116 total cpu time spent up to now is 70.5 secs Computing kpt #: 117 total cpu time spent up to now is 71.0 secs Computing kpt #: 118 total cpu time spent up to now is 71.6 secs Computing kpt #: 119 total cpu time spent up to now is 72.2 secs Computing kpt #: 120 total cpu time spent up to now is 72.8 secs Computing kpt #: 121 total cpu time spent up to now is 73.3 secs Computing kpt #: 122 total cpu time spent up to now is 73.9 secs Computing kpt #: 123 total cpu time spent up to now is 74.5 secs Computing kpt #: 124 total cpu time spent up to now is 75.0 secs Computing kpt #: 125 total cpu time spent up to now is 75.6 secs Computing kpt #: 126 total cpu time spent up to now is 76.2 secs Computing kpt #: 127 total cpu time spent up to now is 76.7 secs Computing kpt #: 128 total cpu time spent up to now is 77.3 secs Computing kpt #: 129 total cpu time spent up to now is 77.9 secs Computing kpt #: 130 total cpu time spent up to now is 78.4 secs Computing kpt #: 131 total cpu time spent up to now is 79.0 secs Computing kpt #: 132 total cpu time spent up to now is 79.5 secs Computing kpt #: 133 total cpu time spent up to now is 80.1 secs Computing kpt #: 134 total cpu time spent up to now is 80.7 secs Computing kpt #: 135 total cpu time spent up to now is 81.3 secs Computing kpt #: 136 total cpu time spent up to now is 81.8 secs Computing kpt #: 137 total cpu time spent up to now is 82.4 secs Computing kpt #: 138 total cpu time spent up to now is 83.0 secs Computing kpt #: 139 total cpu time spent up to now is 83.6 secs Computing kpt #: 140 total cpu time spent up to now is 84.3 secs Computing kpt #: 141 total cpu time spent up to now is 85.0 secs Computing kpt #: 142 total cpu time spent up to now is 85.7 secs Computing kpt #: 143 total cpu time spent up to now is 86.4 secs Computing kpt #: 144 total cpu time spent up to now is 87.1 secs Computing kpt #: 145 total cpu time spent up to now is 87.7 secs Computing kpt #: 146 total cpu time spent up to now is 88.4 secs Computing kpt #: 147 total cpu time spent up to now is 89.0 secs Computing kpt #: 148 total cpu time spent up to now is 89.6 secs Computing kpt #: 149 total cpu time spent up to now is 90.2 secs Computing kpt #: 150 total cpu time spent up to now is 90.8 secs Computing kpt #: 151 total cpu time spent up to now is 91.3 secs Computing kpt #: 152 total cpu time spent up to now is 91.9 secs Computing kpt #: 153 total cpu time spent up to now is 92.5 secs Computing kpt #: 154 total cpu time spent up to now is 93.1 secs Computing kpt #: 155 total cpu time spent up to now is 93.6 secs Computing kpt #: 156 total cpu time spent up to now is 94.2 secs Computing kpt #: 157 total cpu time spent up to now is 94.8 secs Computing kpt #: 158 total cpu time spent up to now is 95.3 secs Computing kpt #: 159 total cpu time spent up to now is 95.9 secs Computing kpt #: 160 total cpu time spent up to now is 96.4 secs Computing kpt #: 161 total cpu time spent up to now is 97.0 secs Computing kpt #: 162 total cpu time spent up to now is 97.6 secs Computing kpt #: 163 total cpu time spent up to now is 98.1 secs Computing kpt #: 164 total cpu time spent up to now is 98.7 secs Computing kpt #: 165 total cpu time spent up to now is 99.2 secs Computing kpt #: 166 total cpu time spent up to now is 99.8 secs Computing kpt #: 167 total cpu time spent up to now is 100.3 secs Computing kpt #: 168 total cpu time spent up to now is 100.9 secs Computing kpt #: 169 total cpu time spent up to now is 101.5 secs Computing kpt #: 170 total cpu time spent up to now is 102.1 secs Computing kpt #: 171 total cpu time spent up to now is 102.6 secs Computing kpt #: 172 total cpu time spent up to now is 103.2 secs Computing kpt #: 173 total cpu time spent up to now is 103.8 secs Computing kpt #: 174 total cpu time spent up to now is 104.3 secs Computing kpt #: 175 total cpu time spent up to now is 104.9 secs Computing kpt #: 176 total cpu time spent up to now is 105.5 secs Computing kpt #: 177 total cpu time spent up to now is 106.0 secs Computing kpt #: 178 total cpu time spent up to now is 106.6 secs Computing kpt #: 179 total cpu time spent up to now is 107.2 secs Computing kpt #: 180 total cpu time spent up to now is 107.8 secs Computing kpt #: 181 total cpu time spent up to now is 108.3 secs Computing kpt #: 182 total cpu time spent up to now is 108.9 secs Computing kpt #: 183 total cpu time spent up to now is 109.5 secs Computing kpt #: 184 total cpu time spent up to now is 110.0 secs Computing kpt #: 185 total cpu time spent up to now is 110.6 secs Computing kpt #: 186 total cpu time spent up to now is 111.2 secs Computing kpt #: 187 total cpu time spent up to now is 111.7 secs Computing kpt #: 188 total cpu time spent up to now is 112.3 secs Computing kpt #: 189 total cpu time spent up to now is 112.9 secs Computing kpt #: 190 total cpu time spent up to now is 113.4 secs Computing kpt #: 191 total cpu time spent up to now is 114.0 secs Computing kpt #: 192 total cpu time spent up to now is 114.6 secs Computing kpt #: 193 total cpu time spent up to now is 115.1 secs Computing kpt #: 194 total cpu time spent up to now is 115.7 secs Computing kpt #: 195 total cpu time spent up to now is 116.4 secs Computing kpt #: 196 total cpu time spent up to now is 117.0 secs Computing kpt #: 197 total cpu time spent up to now is 117.6 secs Computing kpt #: 198 total cpu time spent up to now is 118.2 secs Computing kpt #: 199 total cpu time spent up to now is 118.8 secs Computing kpt #: 200 total cpu time spent up to now is 119.4 secs Computing kpt #: 201 total cpu time spent up to now is 120.0 secs Computing kpt #: 202 total cpu time spent up to now is 120.6 secs Computing kpt #: 203 total cpu time spent up to now is 121.2 secs Computing kpt #: 204 total cpu time spent up to now is 121.8 secs Computing kpt #: 205 total cpu time spent up to now is 122.4 secs Computing kpt #: 206 total cpu time spent up to now is 123.0 secs Computing kpt #: 207 total cpu time spent up to now is 123.6 secs Computing kpt #: 208 total cpu time spent up to now is 124.3 secs Computing kpt #: 209 total cpu time spent up to now is 124.9 secs Computing kpt #: 210 total cpu time spent up to now is 125.6 secs Computing kpt #: 211 total cpu time spent up to now is 126.2 secs Computing kpt #: 212 total cpu time spent up to now is 126.9 secs Computing kpt #: 213 total cpu time spent up to now is 127.6 secs Computing kpt #: 214 total cpu time spent up to now is 128.3 secs Computing kpt #: 215 total cpu time spent up to now is 129.0 secs Computing kpt #: 216 total cpu time spent up to now is 129.7 secs Computing kpt #: 217 total cpu time spent up to now is 130.4 secs Computing kpt #: 218 total cpu time spent up to now is 131.1 secs Computing kpt #: 219 total cpu time spent up to now is 131.8 secs Computing kpt #: 220 total cpu time spent up to now is 132.5 secs Computing kpt #: 221 total cpu time spent up to now is 133.2 secs Computing kpt #: 222 total cpu time spent up to now is 133.8 secs Computing kpt #: 223 total cpu time spent up to now is 134.5 secs Computing kpt #: 224 total cpu time spent up to now is 135.2 secs Computing kpt #: 225 total cpu time spent up to now is 135.8 secs Computing kpt #: 226 total cpu time spent up to now is 136.4 secs Computing kpt #: 227 total cpu time spent up to now is 137.0 secs Computing kpt #: 228 total cpu time spent up to now is 137.6 secs Computing kpt #: 229 total cpu time spent up to now is 138.2 secs Computing kpt #: 230 total cpu time spent up to now is 138.8 secs Computing kpt #: 231 total cpu time spent up to now is 139.4 secs Computing kpt #: 232 total cpu time spent up to now is 140.0 secs Computing kpt #: 233 total cpu time spent up to now is 140.5 secs Computing kpt #: 234 total cpu time spent up to now is 141.1 secs Computing kpt #: 235 total cpu time spent up to now is 141.7 secs Computing kpt #: 236 total cpu time spent up to now is 142.3 secs Computing kpt #: 237 total cpu time spent up to now is 142.9 secs Computing kpt #: 238 total cpu time spent up to now is 143.6 secs Computing kpt #: 239 total cpu time spent up to now is 144.2 secs Computing kpt #: 240 total cpu time spent up to now is 144.8 secs Computing kpt #: 241 total cpu time spent up to now is 145.4 secs Computing kpt #: 242 total cpu time spent up to now is 146.0 secs Computing kpt #: 243 total cpu time spent up to now is 146.6 secs Computing kpt #: 244 total cpu time spent up to now is 147.2 secs Computing kpt #: 245 total cpu time spent up to now is 147.7 secs Computing kpt #: 246 total cpu time spent up to now is 148.3 secs Computing kpt #: 247 total cpu time spent up to now is 148.9 secs Computing kpt #: 248 total cpu time spent up to now is 149.5 secs Computing kpt #: 249 total cpu time spent up to now is 150.1 secs Computing kpt #: 250 total cpu time spent up to now is 150.7 secs Computing kpt #: 251 total cpu time spent up to now is 151.3 secs Computing kpt #: 252 total cpu time spent up to now is 152.0 secs Computing kpt #: 253 total cpu time spent up to now is 152.7 secs Computing kpt #: 254 total cpu time spent up to now is 153.4 secs Computing kpt #: 255 total cpu time spent up to now is 154.0 secs Computing kpt #: 256 total cpu time spent up to now is 154.7 secs Computing kpt #: 257 total cpu time spent up to now is 155.4 secs Computing kpt #: 258 total cpu time spent up to now is 156.1 secs Computing kpt #: 259 total cpu time spent up to now is 156.7 secs Computing kpt #: 260 total cpu time spent up to now is 157.3 secs Computing kpt #: 261 total cpu time spent up to now is 157.9 secs Computing kpt #: 262 total cpu time spent up to now is 158.5 secs Computing kpt #: 263 total cpu time spent up to now is 159.1 secs Computing kpt #: 264 total cpu time spent up to now is 159.7 secs Computing kpt #: 265 total cpu time spent up to now is 160.3 secs Computing kpt #: 266 total cpu time spent up to now is 160.8 secs Computing kpt #: 267 total cpu time spent up to now is 161.4 secs Computing kpt #: 268 total cpu time spent up to now is 162.0 secs Computing kpt #: 269 total cpu time spent up to now is 162.5 secs Computing kpt #: 270 total cpu time spent up to now is 163.1 secs Computing kpt #: 271 total cpu time spent up to now is 163.6 secs Computing kpt #: 272 total cpu time spent up to now is 164.2 secs Computing kpt #: 273 total cpu time spent up to now is 164.8 secs Computing kpt #: 274 total cpu time spent up to now is 165.3 secs Computing kpt #: 275 total cpu time spent up to now is 165.9 secs Computing kpt #: 276 total cpu time spent up to now is 166.5 secs Computing kpt #: 277 total cpu time spent up to now is 167.1 secs Computing kpt #: 278 total cpu time spent up to now is 167.6 secs Computing kpt #: 279 total cpu time spent up to now is 168.2 secs Computing kpt #: 280 total cpu time spent up to now is 168.8 secs Computing kpt #: 281 total cpu time spent up to now is 169.4 secs Computing kpt #: 282 total cpu time spent up to now is 170.0 secs Computing kpt #: 283 total cpu time spent up to now is 170.5 secs Computing kpt #: 284 total cpu time spent up to now is 171.1 secs Computing kpt #: 285 total cpu time spent up to now is 171.7 secs Computing kpt #: 286 total cpu time spent up to now is 172.2 secs Computing kpt #: 287 total cpu time spent up to now is 172.8 secs Computing kpt #: 288 total cpu time spent up to now is 173.3 secs Computing kpt #: 289 total cpu time spent up to now is 173.9 secs Computing kpt #: 290 total cpu time spent up to now is 174.5 secs Computing kpt #: 291 total cpu time spent up to now is 175.0 secs Computing kpt #: 292 total cpu time spent up to now is 175.6 secs Computing kpt #: 293 total cpu time spent up to now is 176.1 secs Computing kpt #: 294 total cpu time spent up to now is 176.7 secs Computing kpt #: 295 total cpu time spent up to now is 177.3 secs Computing kpt #: 296 total cpu time spent up to now is 177.8 secs Computing kpt #: 297 total cpu time spent up to now is 178.4 secs Computing kpt #: 298 total cpu time spent up to now is 179.0 secs Computing kpt #: 299 total cpu time spent up to now is 179.5 secs Computing kpt #: 300 total cpu time spent up to now is 180.1 secs Computing kpt #: 301 total cpu time spent up to now is 180.7 secs Computing kpt #: 302 total cpu time spent up to now is 181.3 secs Computing kpt #: 303 total cpu time spent up to now is 181.8 secs Computing kpt #: 304 total cpu time spent up to now is 182.4 secs Computing kpt #: 305 total cpu time spent up to now is 183.0 secs Computing kpt #: 306 total cpu time spent up to now is 183.6 secs Computing kpt #: 307 total cpu time spent up to now is 184.1 secs Computing kpt #: 308 total cpu time spent up to now is 184.7 secs Computing kpt #: 309 total cpu time spent up to now is 185.3 secs Computing kpt #: 310 total cpu time spent up to now is 185.9 secs Computing kpt #: 311 total cpu time spent up to now is 186.4 secs Computing kpt #: 312 total cpu time spent up to now is 187.0 secs Computing kpt #: 313 total cpu time spent up to now is 187.6 secs Computing kpt #: 314 total cpu time spent up to now is 188.1 secs Computing kpt #: 315 total cpu time spent up to now is 188.7 secs Computing kpt #: 316 total cpu time spent up to now is 189.3 secs Computing kpt #: 317 total cpu time spent up to now is 189.8 secs Computing kpt #: 318 total cpu time spent up to now is 190.4 secs Computing kpt #: 319 total cpu time spent up to now is 190.9 secs Computing kpt #: 320 total cpu time spent up to now is 191.5 secs Computing kpt #: 321 total cpu time spent up to now is 192.0 secs Computing kpt #: 322 total cpu time spent up to now is 192.6 secs Computing kpt #: 323 total cpu time spent up to now is 193.2 secs Computing kpt #: 324 total cpu time spent up to now is 193.7 secs Computing kpt #: 325 total cpu time spent up to now is 194.3 secs Computing kpt #: 326 total cpu time spent up to now is 194.9 secs Computing kpt #: 327 total cpu time spent up to now is 195.4 secs Computing kpt #: 328 total cpu time spent up to now is 196.0 secs Computing kpt #: 329 total cpu time spent up to now is 196.5 secs Computing kpt #: 330 total cpu time spent up to now is 197.1 secs Computing kpt #: 331 total cpu time spent up to now is 197.7 secs Computing kpt #: 332 total cpu time spent up to now is 198.2 secs Computing kpt #: 333 total cpu time spent up to now is 198.8 secs Computing kpt #: 334 total cpu time spent up to now is 199.4 secs Computing kpt #: 335 total cpu time spent up to now is 200.0 secs Computing kpt #: 336 total cpu time spent up to now is 200.5 secs Computing kpt #: 337 total cpu time spent up to now is 201.1 secs Computing kpt #: 338 total cpu time spent up to now is 201.7 secs Computing kpt #: 339 total cpu time spent up to now is 202.3 secs Computing kpt #: 340 total cpu time spent up to now is 202.9 secs Computing kpt #: 341 total cpu time spent up to now is 203.4 secs Computing kpt #: 342 total cpu time spent up to now is 204.0 secs Computing kpt #: 343 total cpu time spent up to now is 204.6 secs Computing kpt #: 344 total cpu time spent up to now is 205.2 secs Computing kpt #: 345 total cpu time spent up to now is 205.7 secs Computing kpt #: 346 total cpu time spent up to now is 206.3 secs Computing kpt #: 347 total cpu time spent up to now is 206.9 secs Computing kpt #: 348 total cpu time spent up to now is 207.4 secs Computing kpt #: 349 total cpu time spent up to now is 208.0 secs Computing kpt #: 350 total cpu time spent up to now is 208.6 secs Computing kpt #: 351 total cpu time spent up to now is 209.2 secs Computing kpt #: 352 total cpu time spent up to now is 210.1 secs Computing kpt #: 353 total cpu time spent up to now is 210.9 secs Computing kpt #: 354 total cpu time spent up to now is 211.4 secs Computing kpt #: 355 total cpu time spent up to now is 212.0 secs Computing kpt #: 356 total cpu time spent up to now is 212.6 secs Computing kpt #: 357 total cpu time spent up to now is 213.2 secs Computing kpt #: 358 total cpu time spent up to now is 213.8 secs Computing kpt #: 359 total cpu time spent up to now is 214.4 secs Computing kpt #: 360 total cpu time spent up to now is 215.0 secs Computing kpt #: 361 total cpu time spent up to now is 215.6 secs Computing kpt #: 362 total cpu time spent up to now is 216.1 secs Computing kpt #: 363 total cpu time spent up to now is 216.7 secs Computing kpt #: 364 total cpu time spent up to now is 217.3 secs Computing kpt #: 365 total cpu time spent up to now is 217.8 secs Computing kpt #: 366 total cpu time spent up to now is 218.4 secs Computing kpt #: 367 total cpu time spent up to now is 219.0 secs Computing kpt #: 368 total cpu time spent up to now is 219.6 secs Computing kpt #: 369 total cpu time spent up to now is 220.2 secs Computing kpt #: 370 total cpu time spent up to now is 220.7 secs Computing kpt #: 371 total cpu time spent up to now is 221.3 secs Computing kpt #: 372 total cpu time spent up to now is 221.9 secs Computing kpt #: 373 total cpu time spent up to now is 222.4 secs Computing kpt #: 374 total cpu time spent up to now is 223.0 secs Computing kpt #: 375 total cpu time spent up to now is 223.6 secs Computing kpt #: 376 total cpu time spent up to now is 224.1 secs Computing kpt #: 377 total cpu time spent up to now is 224.7 secs Computing kpt #: 378 total cpu time spent up to now is 225.2 secs ethr = 2.63E-08, avg # of iterations = 18.2 total cpu time spent up to now is 225.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2903 PWs) bands (ev): -15.2401 -15.2401 -14.9354 -14.9354 -1.1199 -1.1199 -0.0111 -0.0111 0.2005 0.2005 0.2702 0.2702 1.4117 1.4117 1.6191 1.6191 1.9659 1.9659 2.1895 2.1895 2.2049 2.2049 2.4140 2.4140 2.4971 2.4971 2.5987 2.5987 3.4649 3.4649 3.8423 3.8423 3.8992 3.8992 3.9166 3.9166 4.0901 4.0901 9.3492 9.3492 11.7793 11.7793 14.9135 14.9135 16.3839 16.3839 k = 0.0000 0.0000 0.0191 ( 2903 PWs) bands (ev): -15.2399 -15.2399 -14.9355 -14.9355 -1.1198 -1.1198 -0.0113 -0.0113 0.2003 0.2003 0.2702 0.2702 1.4114 1.4114 1.6187 1.6187 1.9657 1.9657 2.1883 2.1883 2.2053 2.2053 2.4138 2.4138 2.4969 2.4969 2.5994 2.5994 3.4604 3.4604 3.8398 3.8398 3.8884 3.8884 3.9377 3.9377 4.0907 4.0907 9.3502 9.3502 11.7804 11.7804 14.9072 14.9072 16.3734 16.3734 k = 0.0000 0.0000 0.0382 ( 2903 PWs) bands (ev): -15.2395 -15.2395 -14.9356 -14.9356 -1.1194 -1.1194 -0.0120 -0.0120 0.1999 0.1999 0.2703 0.2703 1.4105 1.4105 1.6176 1.6176 1.9650 1.9650 2.1844 2.1844 2.2069 2.2069 2.4132 2.4132 2.4966 2.4966 2.6014 2.6014 3.4475 3.4475 3.8345 3.8345 3.8802 3.8802 3.9735 3.9735 4.0925 4.0925 9.3532 9.3532 11.7838 11.7838 14.8886 14.8886 16.3424 16.3424 k = 0.0000 0.0000 0.0573 ( 2909 PWs) bands (ev): -15.2387 -15.2387 -14.9359 -14.9359 -1.1189 -1.1189 -0.0131 -0.0131 0.1991 0.1991 0.2704 0.2704 1.4091 1.4091 1.6158 1.6158 1.9639 1.9639 2.1777 2.1777 2.2098 2.2098 2.4122 2.4122 2.4959 2.4959 2.6047 2.6047 3.4279 3.4279 3.8307 3.8307 3.8766 3.8766 4.0155 4.0155 4.0965 4.0965 9.3582 9.3582 11.7894 11.7894 14.8580 14.8580 16.2924 16.2924 k = 0.0000 0.0000 0.0764 ( 2909 PWs) bands (ev): -15.2377 -15.2377 -14.9362 -14.9362 -1.1181 -1.1181 -0.0146 -0.0146 0.1981 0.1981 0.2705 0.2705 1.4071 1.4071 1.6133 1.6133 1.9624 1.9624 2.1684 2.1684 2.2142 2.2142 2.4105 2.4105 2.4950 2.4950 2.6091 2.6091 3.4038 3.4038 3.8306 3.8306 3.8751 3.8751 4.0574 4.0574 4.1067 4.1067 9.3652 9.3652 11.7972 11.7972 14.8163 14.8163 16.2256 16.2256 k = 0.0000 0.0000 0.0955 ( 2907 PWs) bands (ev): -15.2364 -15.2364 -14.9366 -14.9366 -1.1171 -1.1171 -0.0165 -0.0165 0.1968 0.1968 0.2707 0.2707 1.4046 1.4046 1.6102 1.6102 1.9605 1.9605 2.1567 2.1567 2.2199 2.2199 2.4081 2.4081 2.4939 2.4939 2.6147 2.6147 3.3773 3.3773 3.8343 3.8343 3.8747 3.8747 4.0832 4.0832 4.1380 4.1380 9.3741 9.3741 11.8071 11.8071 14.7643 14.7643 16.1447 16.1447 k = 0.0000 0.0000 0.1147 ( 2911 PWs) bands (ev): -15.2348 -15.2348 -14.9371 -14.9371 -1.1158 -1.1158 -0.0188 -0.0188 0.1953 0.1953 0.2708 0.2708 1.4016 1.4016 1.6064 1.6064 1.9582 1.9582 2.1430 2.1430 2.2267 2.2267 2.4050 2.4050 2.4926 2.4926 2.6212 2.6212 3.3500 3.3500 3.8411 3.8411 3.8751 3.8751 4.0936 4.0936 4.1886 4.1886 9.3849 9.3849 11.8192 11.8192 14.7030 14.7030 16.0522 16.0522 k = 0.0000 0.0000 0.1338 ( 2911 PWs) bands (ev): -15.2329 -15.2329 -14.9377 -14.9377 -1.1144 -1.1144 -0.0215 -0.0215 0.1936 0.1936 0.2710 0.2710 1.3982 1.3982 1.6020 1.6020 1.9554 1.9554 2.1278 2.1278 2.2344 2.2344 2.4009 2.4009 2.4912 2.4912 2.6285 2.6285 3.3234 3.3234 3.8501 3.8501 3.8762 3.8762 4.1011 4.1011 4.2454 4.2454 9.3976 9.3976 11.8333 11.8333 14.6335 14.6335 15.9504 15.9504 k = 0.0000 0.0000 0.1529 ( 2923 PWs) bands (ev): -15.2307 -15.2307 -14.9384 -14.9384 -1.1128 -1.1128 -0.0247 -0.0247 0.1917 0.1917 0.2711 0.2711 1.3944 1.3944 1.5970 1.5970 1.9521 1.9521 2.1115 2.1115 2.2430 2.2430 2.3960 2.3960 2.4897 2.4897 2.6363 2.6363 3.2984 3.2984 3.8594 3.8594 3.8792 3.8792 4.1088 4.1088 4.3049 4.3049 9.4122 9.4122 11.8495 11.8495 14.5571 14.5571 15.8414 15.8414 k = 0.0000 0.0000 0.1720 ( 2923 PWs) bands (ev): -15.2283 -15.2283 -14.9391 -14.9391 -1.1109 -1.1109 -0.0282 -0.0282 0.1896 0.1896 0.2712 0.2712 1.3902 1.3902 1.5916 1.5916 1.9480 1.9480 2.0947 2.0947 2.2522 2.2522 2.3902 2.3902 2.4884 2.4884 2.6444 2.6444 3.2757 3.2757 3.8659 3.8659 3.8863 3.8863 4.1178 4.1178 4.3658 4.3658 9.4287 9.4287 11.8675 11.8675 14.4748 14.4748 15.7269 15.7269 k = 0.0000 0.0000 0.1911 ( 2927 PWs) bands (ev): -15.2256 -15.2256 -14.9400 -14.9400 -1.1089 -1.1089 -0.0321 -0.0321 0.1874 0.1874 0.2712 0.2712 1.3858 1.3858 1.5858 1.5858 1.9428 1.9428 2.0780 2.0780 2.2619 2.2619 2.3836 2.3836 2.4872 2.4872 2.6528 2.6528 3.2559 3.2559 3.8689 3.8689 3.8976 3.8976 4.1285 4.1285 4.4275 4.4275 9.4469 9.4469 11.8874 11.8874 14.3877 14.3877 15.6085 15.6085 k = 0.0000 0.0000 0.2102 ( 2931 PWs) bands (ev): -15.2227 -15.2227 -14.9410 -14.9410 -1.1066 -1.1066 -0.0364 -0.0364 0.1850 0.1850 0.2711 0.2711 1.3811 1.3811 1.5796 1.5796 1.9361 1.9361 2.0623 2.0623 2.2715 2.2715 2.3765 2.3765 2.4862 2.4862 2.6611 2.6611 3.2392 3.2392 3.8702 3.8702 3.9106 3.9106 4.1413 4.1413 4.4894 4.4894 9.4668 9.4668 11.9088 11.9088 14.2968 14.2968 15.4874 15.4874 k = 0.0000 0.0000 0.2293 ( 2931 PWs) bands (ev): -15.2195 -15.2195 -14.9420 -14.9420 -1.1042 -1.1042 -0.0410 -0.0410 0.1826 0.1826 0.2710 0.2710 1.3761 1.3761 1.5731 1.5731 1.9274 1.9274 2.0484 2.0484 2.2808 2.2808 2.3693 2.3693 2.4855 2.4855 2.6693 2.6693 3.2258 3.2258 3.8709 3.8709 3.9235 3.9235 4.1566 4.1566 4.5513 4.5513 9.4883 9.4883 11.9318 11.9318 14.2030 14.2030 15.3646 15.3646 k = 0.0000 0.0000 0.2484 ( 2927 PWs) bands (ev): -15.2161 -15.2161 -14.9431 -14.9431 -1.1016 -1.1016 -0.0460 -0.0460 0.1801 0.1801 0.2709 0.2709 1.3710 1.3710 1.5664 1.5664 1.9163 1.9163 2.0373 2.0373 2.2888 2.2888 2.3628 2.3628 2.4849 2.4849 2.6773 2.6773 3.2158 3.2158 3.8712 3.8712 3.9356 3.9356 4.1744 4.1744 4.6128 4.6128 9.5115 9.5115 11.9561 11.9561 14.1072 14.1072 15.2410 15.2410 k = 0.0000 0.0000 0.2675 ( 2919 PWs) bands (ev): -15.2125 -15.2125 -14.9443 -14.9443 -1.0989 -1.0989 -0.0514 -0.0514 0.1775 0.1775 0.2706 0.2706 1.3657 1.3657 1.5596 1.5596 1.9026 1.9026 2.0292 2.0292 2.2942 2.2942 2.3583 2.3583 2.4846 2.4846 2.6851 2.6851 3.2092 3.2092 3.8713 3.8713 3.9465 3.9465 4.1948 4.1948 4.6737 4.6737 9.5361 9.5361 11.9814 11.9814 14.0103 14.0103 15.1173 15.1173 k = 0.0000 0.0000 0.2866 ( 2919 PWs) bands (ev): -15.2087 -15.2087 -14.9457 -14.9457 -1.0960 -1.0960 -0.0571 -0.0571 0.1749 0.1749 0.2704 0.2704 1.3602 1.3602 1.5526 1.5526 1.8869 1.8869 2.0242 2.0242 2.2955 2.2955 2.3575 2.3575 2.4845 2.4845 2.6924 2.6924 3.2057 3.2057 3.8712 3.8712 3.9560 3.9560 4.2178 4.2178 4.7337 4.7337 9.5621 9.5621 12.0074 12.0074 13.9130 13.9130 14.9942 14.9942 k = 0.0000 0.0000 0.3057 ( 2921 PWs) bands (ev): -15.2046 -15.2046 -14.9471 -14.9471 -1.0930 -1.0930 -0.0631 -0.0631 0.1722 0.1722 0.2701 0.2701 1.3545 1.3545 1.5457 1.5457 1.8698 1.8698 2.0220 2.0220 2.2918 2.2918 2.3611 2.3611 2.4847 2.4847 2.6994 2.6994 3.2053 3.2053 3.8708 3.8708 3.9640 3.9640 4.2429 4.2429 4.7926 4.7926 9.5895 9.5895 12.0338 12.0338 13.8161 13.8161 14.8723 14.8723 k = 0.0000 0.0000 0.3248 ( 2925 PWs) bands (ev): -15.2004 -15.2004 -14.9486 -14.9486 -1.0898 -1.0898 -0.0696 -0.0696 0.1695 0.1695 0.2698 0.2698 1.3487 1.3487 1.5387 1.5387 1.8522 1.8522 2.0220 2.0220 2.2844 2.2844 2.3679 2.3679 2.4850 2.4850 2.7060 2.7060 3.2078 3.2078 3.8702 3.8702 3.9706 3.9706 4.2699 4.2699 4.8504 4.8504 9.6180 9.6180 12.0600 12.0600 13.7203 13.7203 14.7521 14.7521 k = 0.0000 0.0000 0.3440 ( 2929 PWs) bands (ev): -15.1960 -15.1960 -14.9501 -14.9501 -1.0866 -1.0866 -0.0764 -0.0764 0.1668 0.1668 0.2696 0.2696 1.3427 1.3427 1.5318 1.5318 1.8347 1.8347 2.0240 2.0240 2.2746 2.2746 2.3767 2.3767 2.4856 2.4856 2.7123 2.7123 3.2130 3.2130 3.8694 3.8694 3.9760 3.9760 4.2984 4.2984 4.9067 4.9067 9.6476 9.6476 12.0855 12.0855 13.6263 13.6263 14.6342 14.6342 k = 0.0000 0.0000 0.3631 ( 2937 PWs) bands (ev): -15.1915 -15.1915 -14.9518 -14.9518 -1.0832 -1.0832 -0.0835 -0.0835 0.1640 0.1640 0.2694 0.2694 1.3365 1.3365 1.5249 1.5249 1.8180 1.8180 2.0277 2.0277 2.2636 2.2636 2.3862 2.3862 2.4864 2.4864 2.7182 2.7182 3.2205 3.2205 3.8683 3.8683 3.9803 3.9803 4.3280 4.3280 4.9615 4.9615 9.6782 9.6782 12.1097 12.1097 13.5349 13.5349 14.5190 14.5190 k = 0.0000 0.0000 0.3822 ( 2941 PWs) bands (ev): -15.1868 -15.1868 -14.9535 -14.9535 -1.0798 -1.0798 -0.0910 -0.0910 0.1613 0.1613 0.2694 0.2694 1.3301 1.3301 1.5181 1.5181 1.8026 1.8026 2.0328 2.0328 2.2520 2.2520 2.3960 2.3960 2.4875 2.4875 2.7238 2.7238 3.2301 3.2301 3.8670 3.8670 3.9836 3.9836 4.3582 4.3582 5.0146 5.0146 9.7096 9.7096 12.1316 12.1316 13.4468 13.4468 14.4072 14.4072 k = 0.0000 0.0000 0.4013 ( 2939 PWs) bands (ev): -15.1820 -15.1820 -14.9553 -14.9553 -1.0763 -1.0763 -0.0988 -0.0988 0.1586 0.1586 0.2695 0.2695 1.3236 1.3236 1.5113 1.5113 1.7888 1.7888 2.0393 2.0393 2.2401 2.2401 2.4056 2.4056 2.4890 2.4890 2.7291 2.7291 3.2415 3.2415 3.8653 3.8653 3.9861 3.9861 4.3888 4.3888 5.0660 5.0660 9.7416 9.7416 12.1502 12.1502 13.3630 13.3630 14.2993 14.2993 k = 0.0000 0.0000 0.4204 ( 2943 PWs) bands (ev): -15.1771 -15.1771 -14.9572 -14.9572 -1.0727 -1.0727 -0.1071 -0.1071 0.1559 0.1559 0.2699 0.2699 1.3168 1.3168 1.5045 1.5045 1.7769 1.7769 2.0471 2.0471 2.2282 2.2282 2.4148 2.4148 2.4909 2.4909 2.7342 2.7342 3.2546 3.2546 3.8633 3.8633 3.9878 3.9878 4.4193 4.4193 5.1155 5.1155 9.7741 9.7741 12.1645 12.1645 13.2840 13.2840 14.1960 14.1960 k = 0.0000 0.0000 0.4395 ( 2947 PWs) bands (ev): -15.1721 -15.1721 -14.9592 -14.9592 -1.0691 -1.0691 -0.1157 -0.1157 0.1532 0.1532 0.2705 0.2705 1.3099 1.3099 1.4977 1.4977 1.7673 1.7673 2.0560 2.0560 2.2166 2.2166 2.4233 2.4233 2.4934 2.4934 2.7391 2.7391 3.2689 3.2689 3.8610 3.8610 3.9889 3.9889 4.4496 4.4496 5.1631 5.1631 9.8068 9.8068 12.1731 12.1731 13.2106 13.2106 14.0981 14.0981 k = 0.0000 0.0000 0.4586 ( 2951 PWs) bands (ev): -15.1670 -15.1670 -14.9612 -14.9612 -1.0654 -1.0654 -0.1246 -0.1246 0.1506 0.1506 0.2714 0.2714 1.3029 1.3029 1.4909 1.4909 1.7599 1.7599 2.0660 2.0660 2.2055 2.2055 2.4310 2.4310 2.4965 2.4965 2.7438 2.7438 3.2844 3.2844 3.8583 3.8583 3.9893 3.9893 4.4792 4.4792 5.2086 5.2086 9.8397 9.8397 12.1747 12.1747 13.1434 13.1434 14.0066 14.0066 k = 0.0000 0.0000 0.4777 ( 2951 PWs) bands (ev): -15.1618 -15.1618 -14.9633 -14.9633 -1.0618 -1.0618 -0.1340 -0.1340 0.1481 0.1481 0.2728 0.2728 1.2958 1.2958 1.4840 1.4840 1.7550 1.7550 2.0769 2.0769 2.1951 2.1951 2.4376 2.4376 2.5005 2.5005 2.7485 2.7485 3.3006 3.3006 3.8552 3.8552 3.9893 3.9893 4.5080 4.5080 5.2521 5.2521 9.8724 9.8724 12.1684 12.1684 13.0823 13.0823 13.9224 13.9224 k = 0.0000 0.0000 0.4968 ( 2947 PWs) bands (ev): -15.1566 -15.1566 -14.9654 -14.9654 -1.0581 -1.0581 -0.1436 -0.1436 0.1456 0.1456 0.2745 0.2745 1.2886 1.2886 1.4771 1.4771 1.7524 1.7524 2.0884 2.0884 2.1859 2.1859 2.4430 2.4430 2.5054 2.5054 2.7532 2.7532 3.3174 3.3174 3.8517 3.8517 3.9888 3.9888 4.5357 4.5357 5.2935 5.2935 9.9048 9.9048 12.1534 12.1534 13.0270 13.0270 13.8470 13.8470 k = 0.0000 0.0000 0.5159 ( 2947 PWs) bands (ev): -15.1513 -15.1513 -14.9676 -14.9676 -1.0544 -1.0544 -0.1535 -0.1535 0.1432 0.1432 0.2767 0.2767 1.2813 1.2813 1.4702 1.4702 1.7523 1.7523 2.0999 2.0999 2.1787 2.1787 2.4472 2.4472 2.5113 2.5113 2.7580 2.7580 3.3345 3.3345 3.8478 3.8478 3.9878 3.9878 4.5621 4.5621 5.3328 5.3328 9.9366 9.9366 12.1297 12.1297 12.9761 12.9761 13.7815 13.7815 k = 0.0000 0.0000 0.5350 ( 2947 PWs) bands (ev): -15.1460 -15.1460 -14.9699 -14.9699 -1.0507 -1.0507 -0.1638 -0.1638 0.1409 0.1409 0.2793 0.2793 1.2740 1.2740 1.4632 1.4632 1.7543 1.7543 2.1097 2.1097 2.1751 2.1751 2.4503 2.4503 2.5179 2.5179 2.7628 2.7628 3.3517 3.3517 3.8434 3.8434 3.9865 3.9865 4.5869 4.5869 5.3700 5.3700 9.9675 9.9675 12.0977 12.0977 12.9277 12.9277 13.7270 13.7270 k = 0.0000 0.0000 0.5541 ( 2951 PWs) bands (ev): -15.1408 -15.1408 -14.9722 -14.9722 -1.0471 -1.0471 -0.1743 -0.1743 0.1388 0.1388 0.2824 0.2824 1.2668 1.2668 1.4563 1.4563 1.7585 1.7585 2.1157 2.1157 2.1774 2.1774 2.4525 2.4525 2.5252 2.5252 2.7678 2.7678 3.3689 3.3689 3.8386 3.8386 3.9848 3.9848 4.6101 4.6101 5.4050 5.4050 9.9973 9.9973 12.0586 12.0586 12.8800 12.8800 13.6844 13.6844 k = 0.0000 0.0000 0.5733 ( 2951 PWs) bands (ev): -15.1355 -15.1355 -14.9745 -14.9745 -1.0435 -1.0435 -0.1849 -0.1849 0.1368 0.1368 0.2860 0.2860 1.2596 1.2596 1.4495 1.4495 1.7647 1.7647 2.1165 2.1165 2.1871 2.1871 2.4539 2.4539 2.5330 2.5330 2.7731 2.7731 3.3858 3.3858 3.8334 3.8334 3.9827 3.9827 4.6313 4.6313 5.4378 5.4378 10.0257 10.0257 12.0137 12.0137 12.8311 12.8311 13.6537 13.6537 k = 0.0000 0.0000 0.5924 ( 2955 PWs) bands (ev): -15.1302 -15.1302 -14.9769 -14.9769 -1.0399 -1.0399 -0.1957 -0.1957 0.1350 0.1350 0.2900 0.2900 1.2524 1.2524 1.4428 1.4428 1.7727 1.7727 2.1135 2.1135 2.2027 2.2027 2.4547 2.4547 2.5412 2.5412 2.7787 2.7787 3.4022 3.4022 3.8276 3.8276 3.9804 3.9804 4.6506 4.6506 5.4686 5.4686 10.0525 10.0525 11.9645 11.9645 12.7800 12.7800 13.6343 13.6343 k = 0.0000 0.0000 0.6115 ( 2959 PWs) bands (ev): -15.1250 -15.1250 -14.9793 -14.9793 -1.0364 -1.0364 -0.2066 -0.2066 0.1334 0.1334 0.2945 0.2945 1.2453 1.2453 1.4362 1.4362 1.7824 1.7824 2.1087 2.1087 2.2223 2.2223 2.4550 2.4550 2.5495 2.5495 2.7847 2.7847 3.4179 3.4179 3.8214 3.8214 3.9778 3.9778 4.6676 4.6676 5.4972 5.4972 10.0774 10.0774 11.9125 11.9125 12.7263 12.7263 13.6246 13.6246 k = 0.0000 0.0000 0.6306 ( 2953 PWs) bands (ev): -15.1198 -15.1198 -14.9817 -14.9817 -1.0330 -1.0330 -0.2176 -0.2176 0.1320 0.1320 0.2995 0.2995 1.2382 1.2382 1.4299 1.4299 1.7936 1.7936 2.1034 2.1034 2.2446 2.2446 2.4549 2.4549 2.5581 2.5581 2.7913 2.7913 3.4329 3.4329 3.8148 3.8148 3.9751 3.9751 4.6822 4.6822 5.5238 5.5238 10.1001 10.1001 11.8586 11.8586 12.6704 12.6704 13.6228 13.6228 k = 0.0000 0.0000 0.6497 ( 2949 PWs) bands (ev): -15.1146 -15.1146 -14.9842 -14.9842 -1.0296 -1.0296 -0.2285 -0.2285 0.1308 0.1308 0.3049 0.3049 1.2313 1.2313 1.4237 1.4237 1.8061 1.8061 2.0981 2.0981 2.2690 2.2690 2.4546 2.4546 2.5666 2.5666 2.7984 2.7984 3.4469 3.4469 3.8076 3.8076 3.9722 3.9722 4.6944 4.6944 5.5483 5.5483 10.1204 10.1204 11.8040 11.8040 12.6130 12.6130 13.6267 13.6267 k = 0.0000 0.0000 0.6688 ( 2941 PWs) bands (ev): -15.1096 -15.1096 -14.9866 -14.9866 -1.0262 -1.0262 -0.2393 -0.2393 0.1299 0.1299 0.3106 0.3106 1.2244 1.2244 1.4177 1.4177 1.8199 1.8199 2.0931 2.0931 2.2950 2.2950 2.4542 2.4542 2.5753 2.5753 2.8064 2.8064 3.4599 3.4599 3.8000 3.8000 3.9692 3.9692 4.7040 4.7040 5.5709 5.5709 10.1381 10.1381 11.7494 11.7494 12.5547 12.5547 13.6343 13.6343 k = 0.0000 0.0000 0.6879 ( 2939 PWs) bands (ev): -15.1046 -15.1046 -14.9891 -14.9891 -1.0230 -1.0230 -0.2500 -0.2500 0.1291 0.1291 0.3167 0.3167 1.2176 1.2176 1.4120 1.4120 1.8347 1.8347 2.0886 2.0886 2.3224 2.3224 2.4537 2.4537 2.5839 2.5839 2.8153 2.8153 3.4716 3.4716 3.7920 3.7920 3.9661 3.9661 4.7109 4.7109 5.5915 5.5915 10.1530 10.1530 11.6953 11.6953 12.4965 12.4965 13.6440 13.6440 k = 0.0000 0.0000 0.7070 ( 2933 PWs) bands (ev): -15.0998 -15.0998 -14.9915 -14.9915 -1.0198 -1.0198 -0.2605 -0.2605 0.1286 0.1286 0.3231 0.3231 1.2108 1.2108 1.4064 1.4064 1.8505 1.8505 2.0845 2.0845 2.3505 2.3505 2.4535 2.4535 2.5926 2.5926 2.8253 2.8253 3.4822 3.4822 3.7834 3.7834 3.9631 3.9631 4.7149 4.7149 5.6103 5.6103 10.1650 10.1650 11.6423 11.6423 12.4389 12.4389 13.6541 13.6541 k = 0.0000 0.0000 0.7261 ( 2929 PWs) bands (ev): -15.0950 -15.0950 -14.9939 -14.9939 -1.0168 -1.0168 -0.2707 -0.2707 0.1282 0.1282 0.3298 0.3298 1.2041 1.2041 1.4010 1.4010 1.8672 1.8672 2.0809 2.0809 2.3786 2.3786 2.4539 2.4539 2.6012 2.6012 2.8366 2.8366 3.4914 3.4914 3.7745 3.7745 3.9601 3.9601 4.7161 4.7161 5.6272 5.6272 10.1739 10.1739 11.5907 11.5907 12.3825 12.3825 13.6637 13.6637 k = 0.0000 0.0000 0.7452 ( 2927 PWs) bands (ev): -15.0904 -15.0904 -14.9963 -14.9963 -1.0138 -1.0138 -0.2806 -0.2806 0.1281 0.1281 0.3366 0.3366 1.1975 1.1975 1.3959 1.3959 1.8846 1.8846 2.0778 2.0778 2.4048 2.4048 2.4567 2.4567 2.6099 2.6099 2.8497 2.8497 3.4993 3.4993 3.7650 3.7650 3.9572 3.9572 4.7143 4.7143 5.6425 5.6425 10.1798 10.1798 11.5407 11.5407 12.3278 12.3278 13.6720 13.6720 k = 0.0000 0.0000 0.7643 ( 2923 PWs) bands (ev): -15.0859 -15.0859 -14.9986 -14.9986 -1.0109 -1.0109 -0.2902 -0.2902 0.1282 0.1282 0.3436 0.3436 1.1910 1.1910 1.3909 1.3909 1.9028 1.9028 2.0752 2.0752 2.4242 2.4242 2.4661 2.4661 2.6186 2.6186 2.8648 2.8648 3.5059 3.5059 3.7552 3.7552 3.9544 3.9544 4.7094 4.7094 5.6560 5.6560 10.1826 10.1826 11.4925 11.4925 12.2750 12.2750 13.6786 13.6786 k = 0.0000 0.0000 0.7834 ( 2923 PWs) bands (ev): -15.0815 -15.0815 -15.0010 -15.0010 -1.0081 -1.0081 -0.2995 -0.2995 0.1284 0.1284 0.3507 0.3507 1.1845 1.1845 1.3861 1.3861 1.9215 1.9215 2.0731 2.0731 2.4326 2.4326 2.4859 2.4859 2.6274 2.6274 2.8822 2.8822 3.5112 3.5112 3.7450 3.7450 3.9518 3.9518 4.7014 4.7014 5.6681 5.6681 10.1824 10.1824 11.4463 11.4463 12.2246 12.2246 13.6835 13.6835 k = 0.0000 0.0000 0.8026 ( 2935 PWs) bands (ev): -15.0773 -15.0773 -15.0032 -15.0032 -1.0055 -1.0055 -0.3083 -0.3083 0.1289 0.1289 0.3579 0.3579 1.1781 1.1781 1.3816 1.3816 1.9407 1.9407 2.0714 2.0714 2.4348 2.4348 2.5106 2.5106 2.6364 2.6364 2.9026 2.9026 3.5152 3.5152 3.7344 3.7344 3.9493 3.9493 4.6903 4.6903 5.6786 5.6786 10.1795 10.1795 11.4021 11.4021 12.1765 12.1765 13.6868 13.6868 k = 0.0000 0.0000 0.8217 ( 2931 PWs) bands (ev): -15.0733 -15.0733 -15.0054 -15.0054 -1.0029 -1.0029 -0.3167 -0.3167 0.1294 0.1294 0.3650 0.3650 1.1718 1.1718 1.3771 1.3771 1.9603 1.9603 2.0702 2.0702 2.4349 2.4349 2.5355 2.5355 2.6458 2.6458 2.9262 2.9262 3.5181 3.5181 3.7234 3.7234 3.9470 3.9470 4.6760 4.6760 5.6878 5.6878 10.1740 10.1740 11.3601 11.3601 12.1311 12.1311 13.6886 13.6886 k = 0.0000 0.0000 0.8408 ( 2931 PWs) bands (ev): -15.0694 -15.0694 -15.0076 -15.0076 -1.0004 -1.0004 -0.3246 -0.3246 0.1302 0.1302 0.3721 0.3721 1.1657 1.1657 1.3729 1.3729 1.9802 1.9802 2.0693 2.0693 2.4342 2.4342 2.5585 2.5585 2.6556 2.6556 2.9534 2.9534 3.5199 3.5199 3.7121 3.7121 3.9450 3.9450 4.6586 4.6586 5.6957 5.6957 10.1661 10.1661 11.3202 11.3202 12.0884 12.0884 13.6893 13.6893 k = 0.0000 0.0000 0.8599 ( 2931 PWs) bands (ev): -15.0658 -15.0658 -15.0097 -15.0097 -0.9981 -0.9981 -0.3321 -0.3321 0.1310 0.1310 0.3791 0.3791 1.1597 1.1597 1.3689 1.3689 2.0003 2.0003 2.0687 2.0687 2.4332 2.4332 2.5786 2.5786 2.6660 2.6660 2.9846 2.9846 3.5210 3.5210 3.7006 3.7006 3.9430 3.9430 4.6379 4.6379 5.7025 5.7025 10.1561 10.1561 11.2826 11.2826 12.0484 12.0484 13.6892 13.6892 k = 0.0000 0.0000 0.8790 ( 2935 PWs) bands (ev): -15.0623 -15.0623 -15.0117 -15.0117 -0.9958 -0.9958 -0.3391 -0.3391 0.1319 0.1319 0.3859 0.3859 1.1538 1.1538 1.3650 1.3650 2.0204 2.0204 2.0683 2.0683 2.4321 2.4321 2.5954 2.5954 2.6771 2.6771 3.0197 3.0197 3.5213 3.5213 3.6889 3.6889 3.9413 3.9413 4.6142 4.6142 5.7081 5.7081 10.1445 10.1445 11.2471 11.2471 12.0112 12.0112 13.6885 13.6885 k = 0.0000 0.0000 0.8981 ( 2939 PWs) bands (ev): -15.0590 -15.0590 -15.0136 -15.0136 -0.9937 -0.9937 -0.3456 -0.3456 0.1330 0.1330 0.3925 0.3925 1.1482 1.1482 1.3613 1.3613 2.0405 2.0405 2.0683 2.0683 2.4310 2.4310 2.6088 2.6088 2.6885 2.6885 3.0585 3.0585 3.5213 3.5213 3.6770 3.6770 3.9397 3.9397 4.5873 4.5873 5.7128 5.7128 10.1314 10.1314 11.2138 11.2138 11.9768 11.9768 13.6874 13.6874 k = 0.0000 0.0000 0.9172 ( 2935 PWs) bands (ev): -15.0559 -15.0559 -15.0154 -15.0154 -0.9917 -0.9917 -0.3517 -0.3517 0.1341 0.1341 0.3988 0.3988 1.1428 1.1428 1.3579 1.3579 2.0603 2.0603 2.0685 2.0685 2.4299 2.4299 2.6193 2.6193 2.7001 2.7001 3.1007 3.1007 3.5210 3.5210 3.6650 3.6650 3.9382 3.9382 4.5574 4.5574 5.7166 5.7166 10.1174 10.1174 11.1827 11.1827 11.9451 11.9451 13.6861 13.6861 k = 0.0000 0.0000 0.9363 ( 2935 PWs) bands (ev): -15.0530 -15.0530 -15.0171 -15.0171 -0.9898 -0.9898 -0.3572 -0.3572 0.1352 0.1352 0.4048 0.4048 1.1376 1.1376 1.3546 1.3546 2.0685 2.0685 2.0801 2.0801 2.4290 2.4290 2.6273 2.6273 2.7112 2.7112 3.1458 3.1458 3.5209 3.5209 3.6530 3.6530 3.9368 3.9368 4.5246 4.5246 5.7196 5.7196 10.1027 10.1027 11.1538 11.1538 11.9162 11.9162 13.6848 13.6848 k = 0.0000 0.0000 0.9554 ( 2935 PWs) bands (ev): -15.0503 -15.0503 -15.0187 -15.0187 -0.9881 -0.9881 -0.3623 -0.3623 0.1364 0.1364 0.4105 0.4105 1.1327 1.1327 1.3515 1.3515 2.0689 2.0689 2.0991 2.0991 2.4283 2.4283 2.6333 2.6333 2.7218 2.7218 3.1930 3.1930 3.5212 3.5212 3.6412 3.6412 3.9356 3.9356 4.4890 4.4890 5.7220 5.7220 10.0878 10.0878 11.1272 11.1272 11.8900 11.8900 13.6834 13.6834 k = 0.0000 0.0000 0.9745 ( 2937 PWs) bands (ev): -15.0478 -15.0478 -15.0201 -15.0201 -0.9864 -0.9864 -0.3669 -0.3669 0.1375 0.1375 0.4158 0.4158 1.1281 1.1281 1.3487 1.3487 2.0694 2.0694 2.1174 2.1174 2.4277 2.4277 2.6377 2.6377 2.7315 2.7315 3.2414 3.2414 3.5225 3.5225 3.6296 3.6296 3.9344 3.9344 4.4508 4.4508 5.7238 5.7238 10.0729 10.0729 11.1027 11.1027 11.8664 11.8664 13.6820 13.6820 k = 0.0000 0.0000 0.9936 ( 2927 PWs) bands (ev): -15.0456 -15.0456 -15.0215 -15.0215 -0.9849 -0.9849 -0.3710 -0.3710 0.1387 0.1387 0.4207 0.4207 1.1238 1.1238 1.3461 1.3461 2.0700 2.0700 2.1348 2.1348 2.4274 2.4274 2.6409 2.6409 2.7404 2.7404 3.2900 3.2900 3.5256 3.5256 3.6185 3.6185 3.9334 3.9334 4.4102 4.4102 5.7251 5.7251 10.0585 10.0585 11.0806 11.0806 11.8454 11.8454 13.6806 13.6806 k = 0.0000 0.0000 1.0128 ( 2927 PWs) bands (ev): -15.0436 -15.0436 -15.0227 -15.0227 -0.9836 -0.9836 -0.3746 -0.3746 0.1398 0.1398 0.4251 0.4251 1.1199 1.1199 1.3437 1.3437 2.0705 2.0705 2.1511 2.1511 2.4273 2.4273 2.6429 2.6429 2.7483 2.7483 3.3368 3.3368 3.5314 3.5314 3.6083 3.6083 3.9324 3.9324 4.3675 4.3675 5.7260 5.7260 10.0447 10.0447 11.0607 11.0607 11.8268 11.8268 13.6793 13.6793 k = 0.0000 0.0000 1.0319 ( 2923 PWs) bands (ev): -15.0418 -15.0418 -15.0238 -15.0238 -0.9824 -0.9824 -0.3778 -0.3778 0.1408 0.1408 0.4291 0.4291 1.1164 1.1164 1.3416 1.3416 2.0710 2.0710 2.1661 2.1661 2.4274 2.4274 2.6441 2.6441 2.7553 2.7553 3.3793 3.3793 3.5412 3.5412 3.6000 3.6000 3.9315 3.9315 4.3230 4.3230 5.7266 5.7266 10.0319 10.0319 11.0431 11.0431 11.8106 11.8106 13.6781 13.6781 k = 0.0000 0.0000 1.0510 ( 2919 PWs) bands (ev): -15.0402 -15.0402 -15.0247 -15.0247 -0.9813 -0.9813 -0.3806 -0.3806 0.1418 0.1418 0.4326 0.4326 1.1133 1.1133 1.3398 1.3398 2.0716 2.0716 2.1796 2.1796 2.4277 2.4277 2.6446 2.6446 2.7614 2.7614 3.4139 3.4139 3.5540 3.5540 3.5977 3.5977 3.9307 3.9307 4.2771 4.2771 5.7270 5.7270 10.0204 10.0204 11.0278 11.0278 11.7968 11.7968 13.6771 13.6771 k = 0.0000 0.0000 1.0701 ( 2927 PWs) bands (ev): -15.0389 -15.0389 -15.0256 -15.0256 -0.9804 -0.9804 -0.3829 -0.3829 0.1426 0.1426 0.4356 0.4356 1.1106 1.1106 1.3382 1.3382 2.0720 2.0720 2.1913 2.1913 2.4282 2.4282 2.6446 2.6446 2.7665 2.7665 3.4385 3.4385 3.5601 3.5601 3.6127 3.6127 3.9301 3.9301 4.2307 4.2307 5.7272 5.7272 10.0102 10.0102 11.0148 11.0148 11.7853 11.7853 13.6761 13.6761 k = 0.0000 0.0000 1.0892 ( 2927 PWs) bands (ev): -15.0378 -15.0378 -15.0262 -15.0262 -0.9797 -0.9797 -0.3848 -0.3848 0.1433 0.1433 0.4380 0.4380 1.1084 1.1084 1.3369 1.3369 2.0724 2.0724 2.2012 2.2012 2.4288 2.4288 2.6443 2.6443 2.7708 2.7708 3.4543 3.4543 3.5571 3.5571 3.6453 3.6453 3.9296 3.9296 4.1847 4.1847 5.7272 5.7272 10.0017 10.0017 11.0042 11.0042 11.7759 11.7759 13.6753 13.6753 k = 0.0000 0.0000 1.1083 ( 2929 PWs) bands (ev): -15.0370 -15.0370 -15.0268 -15.0268 -0.9791 -0.9791 -0.3863 -0.3863 0.1438 0.1438 0.4400 0.4400 1.1067 1.1067 1.3359 1.3359 2.0728 2.0728 2.2091 2.2091 2.4294 2.4294 2.6438 2.6438 2.7740 2.7740 3.4641 3.4641 3.5517 3.5517 3.6839 3.6839 3.9294 3.9294 4.1409 4.1409 5.7272 5.7272 9.9949 9.9949 10.9959 10.9959 11.7687 11.7687 13.6746 13.6746 k = 0.0000 0.0000 1.1274 ( 2927 PWs) bands (ev): -15.0364 -15.0364 -15.0271 -15.0271 -0.9787 -0.9787 -0.3873 -0.3873 0.1442 0.1442 0.4414 0.4414 1.1054 1.1054 1.3352 1.3352 2.0730 2.0730 2.2148 2.2148 2.4299 2.4299 2.6433 2.6433 2.7764 2.7764 3.4703 3.4703 3.5468 3.5468 3.7204 3.7204 3.9294 3.9294 4.1023 4.1023 5.7272 5.7272 9.9899 9.9899 10.9900 10.9900 11.7635 11.7635 13.6741 13.6741 k = 0.0000 0.0000 1.1465 ( 2927 PWs) bands (ev): -15.0360 -15.0360 -15.0274 -15.0274 -0.9785 -0.9785 -0.3879 -0.3879 0.1445 0.1445 0.4422 0.4422 1.1047 1.1047 1.3347 1.3347 2.0732 2.0732 2.2182 2.2182 2.4302 2.4302 2.6430 2.6430 2.7778 2.7778 3.4738 3.4738 3.5435 3.5435 3.7477 3.7477 3.9296 3.9296 4.0741 4.0741 5.7272 5.7272 9.9869 9.9869 10.9864 10.9864 11.7605 11.7605 13.6738 13.6738 k = 0.0000 0.0000 1.1656 ( 2932 PWs) bands (ev): -15.0359 -15.0359 -15.0275 -15.0275 -0.9784 -0.9784 -0.3881 -0.3881 0.1446 0.1446 0.4425 0.4425 1.1044 1.1044 1.3346 1.3346 2.0732 2.0732 2.2193 2.2193 2.4304 2.4304 2.6428 2.6428 2.7783 2.7783 3.4749 3.4749 3.5424 3.5424 3.7581 3.7581 3.9297 3.9297 4.0634 4.0634 5.7272 5.7272 9.9859 9.9859 10.9852 10.9852 11.7594 11.7594 13.6737 13.6737 k = 0.0000 0.0000 1.1656 ( 2932 PWs) bands (ev): -15.0359 -15.0359 -15.0275 -15.0275 -0.9784 -0.9784 -0.3881 -0.3881 0.1446 0.1446 0.4425 0.4425 1.1044 1.1044 1.3346 1.3346 2.0732 2.0732 2.2193 2.2193 2.4304 2.4304 2.6428 2.6428 2.7783 2.7783 3.4749 3.4749 3.5424 3.5424 3.7581 3.7581 3.9297 3.9297 4.0634 4.0634 5.7272 5.7272 9.9859 9.9859 10.9852 10.9852 11.7594 11.7594 13.6737 13.6737 k =-0.0081 0.0170 1.1656 ( 2930 PWs) bands (ev): -15.0358 -15.0358 -15.0276 -15.0276 -0.9783 -0.9783 -0.3880 -0.3880 0.1444 0.1444 0.4423 0.4423 1.1038 1.1038 1.3357 1.3357 2.0726 2.0726 2.2182 2.2182 2.4286 2.4286 2.6452 2.6452 2.7782 2.7782 3.4538 3.4538 3.5579 3.5579 3.7599 3.7599 3.9292 3.9292 4.0672 4.0672 5.7284 5.7284 9.9848 9.9848 10.9850 10.9850 11.7598 11.7598 13.6756 13.6756 k =-0.0161 0.0339 1.1656 ( 2934 PWs) bands (ev): -15.0356 -15.0356 -15.0279 -15.0279 -0.9782 -0.9782 -0.3877 -0.3877 0.1438 0.1438 0.4417 0.4417 1.1020 1.1020 1.3391 1.3391 2.0707 2.0707 2.2148 2.2148 2.4234 2.4234 2.6520 2.6520 2.7781 2.7781 3.4125 3.4125 3.5826 3.5826 3.7649 3.7649 3.9287 3.9287 4.0776 4.0776 5.7320 5.7320 9.9814 9.9814 10.9843 10.9843 11.7610 11.7610 13.6813 13.6813 k =-0.0242 0.0509 1.1656 ( 2930 PWs) bands (ev): -15.0352 -15.0352 -15.0285 -15.0285 -0.9779 -0.9779 -0.3871 -0.3871 0.1428 0.1428 0.4409 0.4409 1.0992 1.0992 1.3446 1.3446 2.0675 2.0675 2.2093 2.2093 2.4155 2.4155 2.6622 2.6622 2.7783 2.7783 3.3647 3.3647 3.6031 3.6031 3.7720 3.7720 3.9303 3.9303 4.0935 4.0935 5.7379 5.7379 9.9756 9.9756 10.9833 10.9833 11.7632 11.7632 13.6907 13.6907 k =-0.0322 0.0678 1.1656 ( 2930 PWs) bands (ev): -15.0347 -15.0347 -15.0293 -15.0293 -0.9775 -0.9775 -0.3863 -0.3863 0.1414 0.1414 0.4396 0.4396 1.0955 1.0955 1.3519 1.3519 2.0631 2.0631 2.2017 2.2017 2.4057 2.4057 2.6744 2.6744 2.7792 2.7792 3.3136 3.3136 3.6172 3.6172 3.7796 3.7796 3.9362 3.9362 4.1131 4.1131 5.7460 5.7460 9.9676 9.9676 10.9820 10.9820 11.7666 11.7666 13.7038 13.7038 k =-0.0403 0.0848 1.1656 ( 2930 PWs) bands (ev): -15.0340 -15.0340 -15.0303 -15.0303 -0.9770 -0.9770 -0.3853 -0.3853 0.1397 0.1397 0.4380 0.4380 1.0914 1.0914 1.3607 1.3607 2.0574 2.0574 2.1922 2.1922 2.3945 2.3945 2.6870 2.6870 2.7817 2.7817 3.2608 3.2608 3.6252 3.6252 3.7860 3.7860 3.9479 3.9479 4.1354 4.1354 5.7558 5.7558 9.9571 9.9571 10.9806 10.9806 11.7714 11.7714 13.7203 13.7203 k =-0.0483 0.1018 1.1656 ( 2936 PWs) bands (ev): -15.0332 -15.0332 -15.0316 -15.0316 -0.9763 -0.9763 -0.3840 -0.3840 0.1377 0.1377 0.4359 0.4359 1.0869 1.0869 1.3709 1.3709 2.0506 2.0506 2.1810 2.1810 2.3824 2.3824 2.6980 2.6980 2.7871 2.7871 3.2070 3.2070 3.6282 3.6282 3.7903 3.7903 3.9649 3.9649 4.1596 4.1596 5.7672 5.7672 9.9442 9.9442 10.9793 10.9793 11.7781 11.7781 13.7402 13.7402 k =-0.0564 0.1187 1.1656 ( 2944 PWs) bands (ev): -15.0331 -15.0331 -15.0323 -15.0323 -0.9756 -0.9756 -0.3826 -0.3826 0.1353 0.1353 0.4335 0.4335 1.0823 1.0823 1.3821 1.3821 2.0426 2.0426 2.1684 2.1684 2.3695 2.3695 2.7058 2.7058 2.7966 2.7966 3.1531 3.1531 3.6271 3.6271 3.7933 3.7933 3.9860 3.9860 4.1849 4.1849 5.7798 5.7798 9.9288 9.9288 10.9785 10.9785 11.7868 11.7868 13.7633 13.7633 k =-0.0564 0.1187 1.1656 ( 2944 PWs) bands (ev): -15.0331 -15.0331 -15.0323 -15.0323 -0.9756 -0.9756 -0.3826 -0.3826 0.1353 0.1353 0.4335 0.4335 1.0823 1.0823 1.3821 1.3821 2.0426 2.0426 2.1684 2.1684 2.3695 2.3695 2.7058 2.7058 2.7966 2.7966 3.1531 3.1531 3.6271 3.6271 3.7933 3.7933 3.9860 3.9860 4.1849 4.1849 5.7798 5.7798 9.9288 9.9288 10.9785 10.9785 11.7868 11.7868 13.7633 13.7633 k =-0.0621 0.1307 1.1524 ( 2949 PWs) bands (ev): -15.0343 -15.0343 -15.0316 -15.0316 -0.9751 -0.9751 -0.3814 -0.3814 0.1335 0.1335 0.4314 0.4314 1.0794 1.0794 1.3905 1.3905 2.0363 2.0363 2.1580 2.1580 2.3600 2.3600 2.7087 2.7087 2.8055 2.8055 3.1162 3.1162 3.6211 3.6211 3.7945 3.7945 4.0041 4.0041 4.2051 4.2051 5.7891 5.7891 9.9169 9.9169 10.9775 10.9775 11.7964 11.7964 13.7809 13.7809 k =-0.0677 0.1427 1.1391 ( 2947 PWs) bands (ev): -15.0354 -15.0354 -15.0310 -15.0310 -0.9746 -0.9746 -0.3799 -0.3799 0.1314 0.1314 0.4288 0.4288 1.0769 1.0769 1.3992 1.3992 2.0293 2.0293 2.1459 2.1459 2.3501 2.3501 2.7094 2.7094 2.8152 2.8152 3.0823 3.0823 3.6072 3.6072 3.7968 3.7968 4.0251 4.0251 4.2285 4.2285 5.7986 5.7986 9.9047 9.9047 10.9745 10.9745 11.8122 11.8122 13.7985 13.7985 k =-0.0734 0.1546 1.1258 ( 2945 PWs) bands (ev): -15.0366 -15.0366 -15.0304 -15.0304 -0.9741 -0.9741 -0.3781 -0.3781 0.1292 0.1292 0.4256 0.4256 1.0750 1.0750 1.4080 1.4080 2.0216 2.0216 2.1321 2.1321 2.3398 2.3398 2.7080 2.7080 2.8243 2.8243 3.0528 3.0528 3.5858 3.5858 3.8023 3.8023 4.0473 4.0474 4.2542 4.2542 5.8080 5.8080 9.8923 9.8923 10.9683 10.9683 11.8355 11.8355 13.8154 13.8154 k =-0.0791 0.1666 1.1126 ( 2951 PWs) bands (ev): -15.0379 -15.0379 -15.0298 -15.0298 -0.9736 -0.9736 -0.3761 -0.3761 0.1268 0.1268 0.4219 0.4219 1.0736 1.0736 1.4168 1.4168 2.0133 2.0133 2.1167 2.1167 2.3291 2.3291 2.7046 2.7046 2.8309 2.8309 3.0297 3.0297 3.5586 3.5586 3.8112 3.8112 4.0695 4.0695 4.2815 4.2815 5.8172 5.8172 9.8796 9.8796 10.9580 10.9580 11.8676 11.8676 13.8308 13.8308 k =-0.0848 0.1786 1.0993 ( 2952 PWs) bands (ev): -15.0392 -15.0392 -15.0293 -15.0293 -0.9732 -0.9732 -0.3738 -0.3738 0.1243 0.1243 0.4177 0.4177 1.0729 1.0729 1.4256 1.4256 2.0043 2.0043 2.0996 2.0996 2.3180 2.3180 2.6994 2.6994 2.8330 2.8330 3.0153 3.0153 3.5276 3.5276 3.8228 3.8228 4.0910 4.0910 4.3100 4.3100 5.8261 5.8261 9.8667 9.8667 10.9429 10.9429 11.9092 11.9092 13.8441 13.8441 k =-0.0905 0.1906 1.0861 ( 2950 PWs) bands (ev): -15.0404 -15.0404 -15.0289 -15.0289 -0.9727 -0.9727 -0.3713 -0.3713 0.1216 0.1216 0.4130 0.4130 1.0728 1.0728 1.4340 1.4340 1.9944 1.9944 2.0811 2.0811 2.3066 2.3066 2.6922 2.6922 2.8297 2.8297 3.0108 3.0108 3.4942 3.4942 3.8367 3.8367 4.1114 4.1114 4.3391 4.3391 5.8344 5.8344 9.8537 9.8537 10.9228 10.9228 11.9609 11.9609 13.8546 13.8546 k =-0.0962 0.2026 1.0728 ( 2948 PWs) bands (ev): -15.0417 -15.0417 -15.0284 -15.0284 -0.9723 -0.9723 -0.3687 -0.3687 0.1188 0.1188 0.4077 0.4077 1.0735 1.0735 1.4420 1.4420 1.9835 1.9835 2.0615 2.0615 2.2951 2.2951 2.6828 2.6828 2.8217 2.8217 3.0157 3.0157 3.4595 3.4595 3.8522 3.8522 4.1304 4.1304 4.3686 4.3686 5.8420 5.8420 9.8405 9.8405 10.8978 10.8978 12.0226 12.0226 13.8618 13.8618 k =-0.1019 0.2145 1.0595 ( 2952 PWs) bands (ev): -15.0431 -15.0431 -15.0281 -15.0281 -0.9719 -0.9719 -0.3658 -0.3658 0.1159 0.1159 0.4019 0.4019 1.0749 1.0749 1.4494 1.4494 1.9713 1.9713 2.0412 2.0412 2.2834 2.2834 2.6713 2.6713 2.8114 2.8114 3.0276 3.0276 3.4243 3.4243 3.8692 3.8692 4.1482 4.1482 4.3982 4.3982 5.8487 5.8487 9.8271 9.8271 10.8683 10.8683 12.0940 12.0940 13.8652 13.8652 k =-0.1076 0.2265 1.0463 ( 2949 PWs) bands (ev): -15.0444 -15.0444 -15.0277 -15.0277 -0.9716 -0.9716 -0.3628 -0.3628 0.1129 0.1129 0.3955 0.3955 1.0770 1.0770 1.4562 1.4562 1.9574 1.9574 2.0208 2.0208 2.2717 2.2717 2.6576 2.6576 2.8007 2.8007 3.0445 3.0445 3.3893 3.3893 3.8873 3.8873 4.1646 4.1646 4.4276 4.4276 5.8545 5.8545 9.8137 9.8137 10.8346 10.8346 12.1747 12.1747 13.8647 13.8647 k =-0.1132 0.2385 1.0330 ( 2947 PWs) bands (ev): -15.0457 -15.0457 -15.0274 -15.0274 -0.9712 -0.9712 -0.3596 -0.3596 0.1098 0.1098 0.3886 0.3886 1.0798 1.0798 1.4620 1.4620 1.9411 1.9411 2.0013 2.0013 2.2601 2.2601 2.6422 2.6422 2.7910 2.7910 3.0645 3.0645 3.3550 3.3550 3.9065 3.9065 4.1798 4.1798 4.4565 4.4565 5.8593 5.8593 9.8002 9.8002 10.7976 10.7976 12.2642 12.2642 13.8602 13.8602 k =-0.1189 0.2505 1.0198 ( 2943 PWs) bands (ev): -15.0471 -15.0471 -15.0272 -15.0272 -0.9709 -0.9709 -0.3563 -0.3563 0.1066 0.1066 0.3813 0.3813 1.0834 1.0834 1.4668 1.4668 1.9219 1.9219 1.9835 1.9835 2.2487 2.2487 2.6255 2.6255 2.7825 2.7825 3.0866 3.0866 3.3220 3.3220 3.9266 3.9266 4.1939 4.1939 4.4848 4.4848 5.8629 5.8629 9.7866 9.7866 10.7576 10.7576 12.3617 12.3617 13.8517 13.8517 k =-0.1246 0.2624 1.0065 ( 2944 PWs) bands (ev): -15.0484 -15.0484 -15.0270 -15.0270 -0.9706 -0.9706 -0.3529 -0.3529 0.1033 0.1033 0.3734 0.3734 1.0876 1.0876 1.4704 1.4704 1.8999 1.8999 1.9678 1.9678 2.2376 2.2376 2.6079 2.6079 2.7751 2.7751 3.1098 3.1098 3.2907 3.2907 3.9475 3.9475 4.2069 4.2069 4.5123 4.5123 5.8653 5.8653 9.7729 9.7729 10.7153 10.7153 12.4666 12.4666 13.8396 13.8396 k =-0.1303 0.2744 0.9933 ( 2942 PWs) bands (ev): -15.0498 -15.0498 -15.0268 -15.0268 -0.9703 -0.9703 -0.3494 -0.3494 0.0999 0.0999 0.3652 0.3652 1.0926 1.0926 1.4726 1.4726 1.8757 1.8757 1.9540 1.9540 2.2268 2.2268 2.5899 2.5899 2.7685 2.7685 3.1329 3.1329 3.2623 3.2623 3.9691 3.9691 4.2190 4.2190 4.5389 4.5389 5.8666 5.8666 9.7593 9.7593 10.6713 10.6713 12.5782 12.5782 13.8240 13.8240 k =-0.1360 0.2864 0.9800 ( 2940 PWs) bands (ev): -15.0511 -15.0511 -15.0266 -15.0266 -0.9700 -0.9700 -0.3459 -0.3459 0.0965 0.0965 0.3565 0.3565 1.0981 1.0981 1.4732 1.4732 1.8504 1.8504 1.9416 1.9416 2.2163 2.2163 2.5719 2.5719 2.7625 2.7625 3.1532 3.1532 3.2393 3.2393 3.9913 3.9913 4.2303 4.2303 4.5646 4.5646 5.8666 5.8666 9.7457 9.7457 10.6260 10.6260 12.6956 12.6956 13.8056 13.8056 k =-0.1417 0.2984 0.9667 ( 2947 PWs) bands (ev): -15.0524 -15.0524 -15.0265 -15.0265 -0.9697 -0.9697 -0.3422 -0.3422 0.0929 0.0929 0.3475 0.3475 1.1043 1.1043 1.4720 1.4720 1.8247 1.8247 1.9304 1.9304 2.2062 2.2062 2.5540 2.5540 2.7567 2.7567 3.1627 3.1627 3.2297 3.2297 4.0140 4.0140 4.2409 4.2409 4.5891 4.5891 5.8653 5.8653 9.7321 9.7321 10.5798 10.5798 12.8182 12.8182 13.7850 13.7850 k =-0.1474 0.3104 0.9535 ( 2947 PWs) bands (ev): -15.0537 -15.0537 -15.0264 -15.0264 -0.9695 -0.9695 -0.3386 -0.3386 0.0893 0.0893 0.3382 0.3382 1.1110 1.1110 1.4690 1.4690 1.7993 1.7993 1.9199 1.9199 2.1964 2.1964 2.5364 2.5364 2.7509 2.7509 3.1540 3.1540 3.2410 3.2410 4.0371 4.0371 4.2509 4.2509 4.6124 4.6124 5.8629 5.8629 9.7185 9.7185 10.5332 10.5332 12.9448 12.9448 13.7630 13.7630 k =-0.1531 0.3223 0.9402 ( 2947 PWs) bands (ev): -15.0550 -15.0550 -15.0263 -15.0263 -0.9692 -0.9692 -0.3349 -0.3349 0.0856 0.0856 0.3286 0.3286 1.1182 1.1182 1.4640 1.4640 1.7749 1.7749 1.9103 1.9103 2.1869 2.1869 2.5193 2.5193 2.7449 2.7449 3.1367 3.1367 3.2634 3.2634 4.0605 4.0605 4.2604 4.2604 4.6346 4.6346 5.8592 5.8592 9.7050 9.7050 10.4864 10.4864 13.0740 13.0740 13.7410 13.7410 k =-0.1587 0.3343 0.9270 ( 2949 PWs) bands (ev): -15.0563 -15.0563 -15.0263 -15.0263 -0.9689 -0.9689 -0.3313 -0.3313 0.0817 0.0817 0.3189 0.3189 1.1258 1.1258 1.4571 1.4571 1.7517 1.7517 1.9013 1.9013 2.1778 2.1778 2.5027 2.5027 2.7386 2.7386 3.1181 3.1181 3.2895 3.2895 4.0840 4.0840 4.2696 4.2696 4.6555 4.6555 5.8545 5.8545 9.6916 9.6916 10.4398 10.4398 13.2031 13.2031 13.7213 13.7213 k =-0.1644 0.3463 0.9137 ( 2948 PWs) bands (ev): -15.0575 -15.0575 -15.0263 -15.0263 -0.9687 -0.9687 -0.3276 -0.3276 0.0778 0.0778 0.3090 0.3090 1.1338 1.1338 1.4482 1.4482 1.7301 1.7301 1.8929 1.8929 2.1689 2.1689 2.4866 2.4866 2.7318 2.7318 3.1005 3.1005 3.3169 3.3169 4.1076 4.1076 4.2786 4.2786 4.6750 4.6750 5.8487 5.8487 9.6783 9.6783 10.3938 10.3938 13.3264 13.3264 13.7093 13.7093 k =-0.1701 0.3583 0.9004 ( 2946 PWs) bands (ev): -15.0587 -15.0587 -15.0263 -15.0263 -0.9685 -0.9685 -0.3240 -0.3240 0.0738 0.0738 0.2991 0.2991 1.1421 1.1421 1.4375 1.4375 1.7103 1.7103 1.8851 1.8851 2.1603 2.1603 2.4712 2.4712 2.7245 2.7245 3.0846 3.0846 3.3448 3.3448 4.1310 4.1310 4.2875 4.2875 4.6933 4.6933 5.8419 5.8419 9.6652 9.6652 10.3485 10.3485 13.4296 13.4296 13.7193 13.7193 k =-0.1758 0.3702 0.8872 ( 2944 PWs) bands (ev): -15.0599 -15.0599 -15.0263 -15.0263 -0.9682 -0.9682 -0.3205 -0.3205 0.0697 0.0697 0.2892 0.2892 1.1505 1.1505 1.4255 1.4255 1.6921 1.6921 1.8777 1.8777 2.1519 2.1519 2.4565 2.4565 2.7168 2.7168 3.0706 3.0706 3.3728 3.3728 4.1540 4.1540 4.2965 4.2965 4.7103 4.7103 5.8342 5.8342 9.6522 9.6522 10.3042 10.3042 13.4867 13.4867 13.7765 13.7765 k =-0.1815 0.3822 0.8739 ( 2945 PWs) bands (ev): -15.0610 -15.0610 -15.0263 -15.0263 -0.9680 -0.9680 -0.3170 -0.3170 0.0656 0.0656 0.2794 0.2794 1.1591 1.1591 1.4124 1.4124 1.6757 1.6757 1.8708 1.8708 2.1438 2.1438 2.4425 2.4425 2.7087 2.7087 3.0583 3.0583 3.4005 3.4005 4.1764 4.1764 4.3057 4.3057 4.7259 4.7259 5.8256 5.8256 9.6395 9.6395 10.2611 10.2611 13.4966 13.4966 13.8816 13.8816 k =-0.1872 0.3942 0.8607 ( 2945 PWs) bands (ev): -15.0621 -15.0621 -15.0264 -15.0264 -0.9678 -0.9678 -0.3137 -0.3137 0.0613 0.0613 0.2697 0.2697 1.1674 1.1674 1.3988 1.3988 1.6607 1.6607 1.8642 1.8642 2.1359 2.1359 2.4293 2.4293 2.7003 2.7003 3.0479 3.0479 3.4278 3.4278 4.1979 4.1979 4.3154 4.3154 4.7401 4.7401 5.8165 5.8165 9.6270 9.6270 10.2195 10.2195 13.4836 13.4836 14.0092 14.0092 k =-0.1929 0.4062 0.8474 ( 2949 PWs) bands (ev): -15.0631 -15.0631 -15.0264 -15.0264 -0.9676 -0.9676 -0.3104 -0.3104 0.0570 0.0570 0.2603 0.2603 1.1755 1.1755 1.3852 1.3852 1.6470 1.6470 1.8579 1.8579 2.1284 2.1284 2.4170 2.4170 2.6917 2.6917 3.0390 3.0390 3.4545 3.4545 4.2182 4.2182 4.3258 4.3258 4.7531 4.7531 5.8067 5.8067 9.6147 9.6147 10.1796 10.1796 13.4621 13.4621 14.1440 14.1440 k =-0.1986 0.4181 0.8341 ( 2943 PWs) bands (ev): -15.0641 -15.0641 -15.0265 -15.0265 -0.9674 -0.9674 -0.3072 -0.3072 0.0527 0.0527 0.2512 0.2512 1.1830 1.1830 1.3723 1.3723 1.6344 1.6344 1.8517 1.8517 2.1212 2.1212 2.4056 2.4056 2.6830 2.6830 3.0316 3.0316 3.4804 3.4804 4.2370 4.2370 4.3372 4.3372 4.7647 4.7647 5.7965 5.7965 9.6029 9.6029 10.1415 10.1415 13.4374 13.4374 14.2791 14.2791 k =-0.2042 0.4301 0.8209 ( 2947 PWs) bands (ev): -15.0650 -15.0650 -15.0266 -15.0266 -0.9673 -0.9673 -0.3043 -0.3043 0.0483 0.0483 0.2425 0.2425 1.1896 1.1896 1.3605 1.3605 1.6229 1.6229 1.8456 1.8456 2.1144 2.1144 2.3951 2.3951 2.6744 2.6744 3.0254 3.0254 3.5053 3.5053 4.2539 4.2539 4.3496 4.3496 4.7751 4.7751 5.7860 5.7860 9.5914 9.5914 10.1054 10.1054 13.4117 13.4117 14.4100 14.4100 k =-0.2099 0.4421 0.8076 ( 2949 PWs) bands (ev): -15.0659 -15.0659 -15.0266 -15.0266 -0.9671 -0.9671 -0.3014 -0.3014 0.0439 0.0439 0.2343 0.2343 1.1950 1.1950 1.3504 1.3504 1.6121 1.6121 1.8396 1.8396 2.1080 2.1080 2.3855 2.3855 2.6660 2.6660 3.0203 3.0203 3.5290 3.5290 4.2688 4.2688 4.3632 4.3632 4.7843 4.7843 5.7754 5.7754 9.5803 9.5803 10.0714 10.0714 13.3861 13.3861 14.5326 14.5326 k =-0.2156 0.4541 0.7944 ( 2949 PWs) bands (ev): -15.0667 -15.0667 -15.0267 -15.0267 -0.9670 -0.9670 -0.2987 -0.2987 0.0397 0.0397 0.2266 0.2266 1.1987 1.1987 1.3427 1.3427 1.6022 1.6022 1.8335 1.8335 2.1021 2.1021 2.3768 2.3768 2.6579 2.6579 3.0162 3.0162 3.5515 3.5515 4.2817 4.2817 4.3777 4.3777 4.7922 4.7922 5.7648 5.7648 9.5697 9.5697 10.0397 10.0397 13.3613 13.3613 14.6428 14.6428 k =-0.2213 0.4661 0.7811 ( 2949 PWs) bands (ev): -15.0675 -15.0675 -15.0268 -15.0268 -0.9668 -0.9668 -0.2962 -0.2962 0.0355 0.0355 0.2194 0.2194 1.2005 1.2005 1.3377 1.3377 1.5929 1.5929 1.8275 1.8275 2.0967 2.0967 2.3691 2.3691 2.6502 2.6502 3.0129 3.0129 3.5724 3.5724 4.2928 4.2928 4.3928 4.3928 4.7990 4.7990 5.7544 5.7544 9.5598 9.5598 10.0104 10.0104 13.3377 13.3377 14.7365 14.7365 k =-0.2270 0.4780 0.7679 ( 2949 PWs) bands (ev): -15.0682 -15.0682 -15.0268 -15.0268 -0.9667 -0.9667 -0.2939 -0.2939 0.0315 0.0315 0.2128 0.2128 1.2004 1.2004 1.3354 1.3354 1.5843 1.5843 1.8215 1.8215 2.0918 2.0918 2.3622 2.3622 2.6430 2.6430 3.0102 3.0102 3.5918 3.5918 4.3023 4.3023 4.4080 4.4080 4.8047 4.8047 5.7443 5.7443 9.5504 9.5504 9.9836 9.9836 13.3156 13.3156 14.8109 14.8109 k =-0.2327 0.4900 0.7546 ( 2945 PWs) bands (ev): -15.0688 -15.0688 -15.0269 -15.0269 -0.9666 -0.9666 -0.2918 -0.2918 0.0276 0.0276 0.2068 0.2068 1.1986 1.1986 1.3356 1.3356 1.5763 1.5763 1.8156 1.8156 2.0876 2.0876 2.3561 2.3561 2.6364 2.6364 3.0080 3.0080 3.6095 3.6095 4.3106 4.3106 4.4229 4.4229 4.8094 4.8094 5.7347 5.7347 9.5418 9.5418 9.9594 9.9594 13.2954 13.2954 14.8660 14.8660 k =-0.2384 0.5020 0.7413 ( 2947 PWs) bands (ev): -15.0694 -15.0694 -15.0270 -15.0270 -0.9665 -0.9665 -0.2900 -0.2900 0.0241 0.0241 0.2016 0.2016 1.1956 1.1956 1.3377 1.3377 1.5690 1.5690 1.8100 1.8100 2.0839 2.0839 2.3509 2.3509 2.6304 2.6304 3.0063 3.0063 3.6253 3.6253 4.3177 4.3177 4.4370 4.4370 4.8132 4.8132 5.7257 5.7257 9.5340 9.5340 9.9379 9.9379 13.2772 13.2772 14.9048 14.9048 k =-0.2441 0.5140 0.7281 ( 2946 PWs) bands (ev): -15.0699 -15.0699 -15.0270 -15.0270 -0.9664 -0.9664 -0.2883 -0.2883 0.0209 0.0209 0.1969 0.1969 1.1919 1.1919 1.3412 1.3412 1.5623 1.5623 1.8047 1.8047 2.0807 2.0807 2.3465 2.3465 2.6251 2.6251 3.0050 3.0050 3.6392 3.6392 4.3238 4.3238 4.4500 4.4500 4.8162 4.8162 5.7176 5.7176 9.5270 9.5270 9.9191 9.9191 13.2611 13.2611 14.9310 14.9310 k =-0.2497 0.5259 0.7148 ( 2944 PWs) bands (ev): -15.0703 -15.0703 -15.0271 -15.0271 -0.9663 -0.9663 -0.2869 -0.2869 0.0180 0.0180 0.1930 0.1930 1.1881 1.1881 1.3453 1.3453 1.5564 1.5564 1.7999 1.7999 2.0781 2.0781 2.3428 2.3428 2.6206 2.6206 3.0040 3.0040 3.6511 3.6511 4.3290 4.3290 4.4615 4.4615 4.8185 4.8185 5.7104 5.7104 9.5209 9.5209 9.9031 9.9031 13.2473 13.2473 14.9485 14.9485 k =-0.2554 0.5379 0.7016 ( 2944 PWs) bands (ev): -15.0706 -15.0706 -15.0271 -15.0271 -0.9662 -0.9662 -0.2857 -0.2857 0.0156 0.0156 0.1898 0.1898 1.1844 1.1844 1.3495 1.3495 1.5514 1.5514 1.7957 1.7957 2.0760 2.0760 2.3399 2.3399 2.6168 2.6168 3.0032 3.0032 3.6610 3.6610 4.3332 4.3332 4.4713 4.4713 4.8202 4.8202 5.7044 5.7044 9.5159 9.5159 9.8900 9.8900 13.2358 13.2358 14.9599 14.9599 k =-0.2611 0.5499 0.6883 ( 2940 PWs) bands (ev): -15.0709 -15.0709 -15.0272 -15.0272 -0.9662 -0.9662 -0.2848 -0.2848 0.0137 0.0137 0.1873 0.1873 1.1814 1.1814 1.3534 1.3534 1.5473 1.5473 1.7923 1.7923 2.0744 2.0744 2.3376 2.3376 2.6139 2.6139 3.0026 3.0026 3.6686 3.6686 4.3366 4.3366 4.4792 4.4792 4.8214 4.8214 5.6995 5.6995 9.5119 9.5119 9.8798 9.8798 13.2269 13.2269 14.9673 14.9673 k =-0.2668 0.5619 0.6750 ( 2940 PWs) bands (ev): -15.0711 -15.0711 -15.0272 -15.0272 -0.9661 -0.9661 -0.2841 -0.2841 0.0123 0.0123 0.1855 0.1855 1.1791 1.1791 1.3564 1.3564 1.5442 1.5442 1.7897 1.7897 2.0733 2.0733 2.3360 2.3360 2.6118 2.6118 3.0023 3.0023 3.6742 3.6742 4.3390 4.3390 4.4850 4.4850 4.8221 4.8221 5.6960 5.6960 9.5090 9.5090 9.8725 9.8725 13.2204 13.2204 14.9717 14.9717 k =-0.2725 0.5738 0.6618 ( 2936 PWs) bands (ev): -15.0712 -15.0712 -15.0272 -15.0272 -0.9661 -0.9661 -0.2837 -0.2837 0.0115 0.0115 0.1845 0.1845 1.1776 1.1776 1.3584 1.3584 1.5423 1.5423 1.7882 1.7882 2.0727 2.0727 2.3351 2.3351 2.6105 2.6105 3.0020 3.0020 3.6775 3.6775 4.3404 4.3404 4.4885 4.4885 4.8225 4.8225 5.6939 5.6939 9.5073 9.5073 9.8681 9.8681 13.2165 13.2165 14.9742 14.9742 k =-0.2782 0.5858 0.6485 ( 2940 PWs) bands (ev): -15.0712 -15.0712 -15.0272 -15.0272 -0.9661 -0.9661 -0.2836 -0.2836 0.0112 0.0112 0.1841 0.1841 1.1771 1.1771 1.3590 1.3590 1.5417 1.5417 1.7876 1.7876 2.0725 2.0725 2.3347 2.3347 2.6101 2.6101 3.0020 3.0020 3.6786 3.6786 4.3409 4.3409 4.4897 4.4897 4.8227 4.8227 5.6931 5.6931 9.5067 9.5067 9.8666 9.8666 13.2152 13.2152 14.9749 14.9749 k =-0.2782 0.5858 0.6485 ( 2940 PWs) bands (ev): -15.0712 -15.0712 -15.0272 -15.0272 -0.9661 -0.9661 -0.2836 -0.2836 0.0112 0.0112 0.1841 0.1841 1.1771 1.1771 1.3590 1.3590 1.5417 1.5417 1.7876 1.7876 2.0725 2.0725 2.3347 2.3347 2.6101 2.6101 3.0020 3.0020 3.6786 3.6786 4.3409 4.3409 4.4897 4.4897 4.8227 4.8227 5.6931 5.6931 9.5067 9.5067 9.8666 9.8666 13.2152 13.2152 14.9749 14.9749 k =-0.2724 0.5736 0.6350 ( 2938 PWs) bands (ev): -15.0655 -15.0655 -15.0321 -15.0321 -0.9693 -0.9693 -0.2787 -0.2787 0.0134 0.0134 0.1806 0.1806 1.1751 1.1751 1.3554 1.3554 1.5259 1.5259 1.8050 1.8050 2.0793 2.0793 2.3276 2.3276 2.6101 2.6101 3.0051 3.0051 3.6679 3.6679 4.3555 4.3555 4.4936 4.4936 4.8046 4.8046 5.7291 5.7291 9.5629 9.5629 9.8263 9.8263 13.1296 13.1296 14.9306 14.9306 k =-0.2666 0.5614 0.6215 ( 2940 PWs) bands (ev): -15.0598 -15.0598 -15.0372 -15.0372 -0.9726 -0.9726 -0.2735 -0.2735 0.0159 0.0159 0.1775 0.1775 1.1737 1.1737 1.3521 1.3521 1.5121 1.5121 1.8223 1.8223 2.0865 2.0865 2.3205 2.3205 2.6092 2.6092 3.0078 3.0078 3.6556 3.6556 4.3686 4.3686 4.4963 4.4963 4.7854 4.7854 5.7617 5.7617 9.5798 9.5798 9.8331 9.8331 13.0522 13.0522 14.8823 14.8823 k =-0.2608 0.5492 0.6080 ( 2944 PWs) bands (ev): -15.0542 -15.0542 -15.0424 -15.0424 -0.9761 -0.9761 -0.2679 -0.2679 0.0189 0.0189 0.1748 0.1748 1.1729 1.1729 1.3492 1.3492 1.5000 1.5000 1.8397 1.8397 2.0941 2.0941 2.3135 2.3135 2.6074 2.6074 3.0099 3.0099 3.6416 3.6416 4.3799 4.3799 4.4978 4.4978 4.7651 4.7651 5.7903 5.7903 9.5641 9.5641 9.8799 9.8799 12.9843 12.9843 14.8303 14.8303 k =-0.2550 0.5370 0.5945 ( 2948 PWs) bands (ev): -15.0488 -15.0488 -15.0476 -15.0476 -0.9796 -0.9796 -0.2620 -0.2620 0.0222 0.0222 0.1726 0.1726 1.1727 1.1727 1.3468 1.3468 1.4898 1.4898 1.8571 1.8571 2.1019 2.1019 2.3065 2.3065 2.6045 2.6045 3.0114 3.0114 3.6260 3.6260 4.3896 4.3896 4.4982 4.4982 4.7438 4.7438 5.8141 5.8141 9.5400 9.5400 9.9422 9.9422 12.9271 12.9271 14.7749 14.7749 k =-0.2492 0.5248 0.5810 ( 2944 PWs) bands (ev): -15.0531 -15.0531 -15.0433 -15.0433 -0.9833 -0.9833 -0.2557 -0.2557 0.0258 0.0258 0.1709 0.1709 1.1730 1.1730 1.3450 1.3450 1.4814 1.4814 1.8743 1.8743 2.1100 2.1100 2.2996 2.2996 2.6006 2.6006 3.0123 3.0123 3.6089 3.6089 4.3974 4.3974 4.4975 4.4975 4.7216 4.7216 5.8324 5.8324 9.5207 9.5207 10.0062 10.0062 12.8815 12.8815 14.7166 14.7166 k =-0.2434 0.5126 0.5675 ( 2944 PWs) bands (ev): -15.0586 -15.0586 -15.0380 -15.0380 -0.9870 -0.9870 -0.2492 -0.2492 0.0298 0.0298 0.1697 0.1697 1.1740 1.1740 1.3440 1.3440 1.4748 1.4748 1.8914 1.8914 2.1185 2.1185 2.2928 2.2928 2.5957 2.5957 3.0125 3.0125 3.5904 3.5904 4.4034 4.4034 4.4957 4.4957 4.6987 4.6987 5.8448 5.8448 9.5109 9.5109 10.0665 10.0665 12.8488 12.8488 14.6558 14.6558 k =-0.2376 0.5004 0.5539 ( 2944 PWs) bands (ev): -15.0642 -15.0642 -15.0328 -15.0328 -0.9908 -0.9908 -0.2425 -0.2425 0.0341 0.0341 0.1690 0.1690 1.1756 1.1756 1.3439 1.3439 1.4698 1.4698 1.9082 1.9082 2.1272 2.1272 2.2861 2.2861 2.5898 2.5898 3.0121 3.0121 3.5705 3.5705 4.4074 4.4074 4.4930 4.4930 4.6750 4.6750 5.8507 5.8507 9.5127 9.5127 10.1202 10.1202 12.8298 12.8298 14.5931 14.5931 k =-0.2318 0.4882 0.5404 ( 2944 PWs) bands (ev): -15.0699 -15.0699 -15.0277 -15.0277 -0.9947 -0.9947 -0.2355 -0.2355 0.0386 0.0386 0.1690 0.1690 1.1776 1.1776 1.3450 1.3450 1.4665 1.4665 1.9248 1.9248 2.1363 2.1363 2.2795 2.2795 2.5829 2.5829 3.0109 3.0109 3.5494 3.5494 4.4094 4.4094 4.4894 4.4894 4.6508 4.6508 5.8502 5.8502 9.5268 9.5268 10.1659 10.1659 12.8251 12.8251 14.5293 14.5293 k =-0.2260 0.4760 0.5269 ( 2950 PWs) bands (ev): -15.0757 -15.0757 -15.0228 -15.0228 -0.9987 -0.9987 -0.2283 -0.2283 0.0433 0.0433 0.1695 0.1695 1.1801 1.1801 1.3473 1.3473 1.4646 1.4646 1.9411 1.9411 2.1457 2.1457 2.2729 2.2729 2.5751 2.5751 3.0091 3.0091 3.5272 3.5272 4.4094 4.4094 4.4850 4.4850 4.6261 4.6261 5.8430 5.8430 9.5532 9.5532 10.2027 10.2027 12.8349 12.8349 14.4649 14.4649 k =-0.2202 0.4638 0.5134 ( 2946 PWs) bands (ev): -15.0815 -15.0815 -15.0179 -15.0179 -1.0028 -1.0028 -0.2209 -0.2209 0.0482 0.0482 0.1706 0.1706 1.1829 1.1829 1.3510 1.3510 1.4641 1.4641 1.9570 1.9570 2.1554 2.1554 2.2664 2.2664 2.5664 2.5664 3.0065 3.0065 3.5039 3.5039 4.4072 4.4072 4.4797 4.4797 4.6012 4.6012 5.8294 5.8294 9.5916 9.5916 10.2305 10.2305 12.8590 12.8590 14.4010 14.4010 k =-0.2144 0.4516 0.4999 ( 2946 PWs) bands (ev): -15.0874 -15.0874 -15.0132 -15.0132 -1.0069 -1.0069 -0.2134 -0.2134 0.0533 0.0533 0.1723 0.1723 1.1862 1.1862 1.3561 1.3561 1.4652 1.4652 1.9725 1.9725 2.1654 2.1654 2.2601 2.2601 2.5569 2.5569 3.0032 3.0032 3.4796 3.4796 4.4030 4.4030 4.4735 4.4735 4.5760 4.5760 5.8097 5.8097 9.6413 9.6413 10.2497 10.2497 12.8965 12.8965 14.3384 14.3384 k =-0.2086 0.4394 0.4864 ( 2944 PWs) bands (ev): -15.0934 -15.0934 -15.0087 -15.0087 -1.0111 -1.0111 -0.2058 -0.2058 0.0585 0.0585 0.1746 0.1746 1.1898 1.1898 1.3625 1.3625 1.4676 1.4676 1.9876 1.9876 2.1756 2.1756 2.2539 2.2539 2.5467 2.5467 2.9992 2.9992 3.4546 3.4546 4.3967 4.3967 4.4662 4.4662 4.5510 4.5510 5.7842 5.7842 9.7009 9.7009 10.2613 10.2613 12.9459 12.9459 14.2786 14.2786 k =-0.2028 0.4272 0.4729 ( 2936 PWs) bands (ev): -15.0994 -15.0994 -15.0042 -15.0042 -1.0154 -1.0154 -0.1980 -0.1980 0.0638 0.0638 0.1775 0.1775 1.1938 1.1938 1.3702 1.3702 1.4716 1.4716 2.0022 2.0022 2.1860 2.1860 2.2479 2.2479 2.5359 2.5359 2.9945 2.9945 3.4290 3.4290 4.3886 4.3886 4.4575 4.4575 4.5266 4.5266 5.7535 5.7535 9.7684 9.7684 10.2675 10.2675 13.0049 13.0049 14.2232 14.2232 k =-0.1970 0.4150 0.4594 ( 2934 PWs) bands (ev): -15.1054 -15.1054 -14.9999 -14.9999 -1.0197 -1.0197 -0.1903 -0.1903 0.0691 0.0691 0.1809 0.1809 1.1981 1.1981 1.3790 1.3790 1.4773 1.4773 2.0163 2.0163 2.1964 2.1964 2.2423 2.2423 2.5245 2.5245 2.9890 2.9890 3.4028 3.4028 4.3786 4.3786 4.4467 4.4467 4.5033 4.5033 5.7181 5.7181 9.8408 9.8408 10.2716 10.2716 13.0704 13.0704 14.1748 14.1748 k =-0.1913 0.4028 0.4459 ( 2934 PWs) bands (ev): -15.1114 -15.1114 -14.9958 -14.9958 -1.0240 -1.0240 -0.1824 -0.1824 0.0745 0.0745 0.1848 0.1848 1.2028 1.2028 1.3885 1.3885 1.4848 1.4848 2.0298 2.0298 2.2062 2.2062 2.2377 2.2377 2.5129 2.5129 2.9828 2.9828 3.3763 3.3763 4.3670 4.3670 4.4328 4.4328 4.4821 4.4821 5.6786 5.6786 9.9121 9.9121 10.2795 10.2795 13.1382 13.1382 14.1368 14.1368 k =-0.1855 0.3905 0.4323 ( 2930 PWs) bands (ev): -15.1174 -15.1174 -14.9918 -14.9918 -1.0283 -1.0283 -0.1746 -0.1746 0.0799 0.0799 0.1891 0.1891 1.2079 1.2079 1.3985 1.3985 1.4944 1.4944 2.0427 2.0427 2.2133 2.2133 2.2361 2.2361 2.5010 2.5010 2.9758 2.9758 3.3497 3.3497 4.3541 4.3541 4.4151 4.4151 4.4639 4.4639 5.6355 5.6355 9.9722 9.9722 10.3015 10.3015 13.2026 13.2026 14.1138 14.1138 k =-0.1797 0.3783 0.4188 ( 2936 PWs) bands (ev): -15.1235 -15.1235 -14.9879 -14.9879 -1.0327 -1.0327 -0.1668 -0.1668 0.0853 0.0853 0.1938 0.1938 1.2134 1.2134 1.4086 1.4086 1.5062 1.5062 2.0549 2.0549 2.2141 2.2141 2.2412 2.2412 2.4891 2.4891 2.9682 2.9682 3.3231 3.3231 4.3398 4.3398 4.3938 4.3938 4.4483 4.4483 5.5893 5.5893 10.0089 10.0089 10.3500 10.3500 13.2571 13.2571 14.1119 14.1119 k =-0.1739 0.3661 0.4053 ( 2940 PWs) bands (ev): -15.1295 -15.1295 -14.9842 -14.9842 -1.0370 -1.0370 -0.1590 -0.1590 0.0908 0.0908 0.1988 0.1988 1.2194 1.2194 1.4185 1.4185 1.5204 1.5204 2.0665 2.0665 2.2104 2.2104 2.2510 2.2510 2.4772 2.4772 2.9598 2.9598 3.2968 3.2968 4.3244 4.3244 4.3703 4.3703 4.4341 4.4341 5.5406 5.5406 10.0186 10.0186 10.4282 10.4282 13.2954 13.2954 14.1366 14.1366 k =-0.1681 0.3539 0.3918 ( 2940 PWs) bands (ev): -15.1354 -15.1354 -14.9807 -14.9807 -1.0414 -1.0414 -0.1512 -0.1512 0.0962 0.0962 0.2040 0.2040 1.2258 1.2258 1.4281 1.4281 1.5369 1.5369 2.0772 2.0772 2.2054 2.2054 2.2626 2.2626 2.4657 2.4657 2.9506 2.9506 3.2709 3.2709 4.3080 4.3080 4.3454 4.3454 4.4204 4.4204 5.4897 5.4897 10.0089 10.0089 10.5287 10.5287 13.3144 13.3144 14.1907 14.1907 k =-0.1623 0.3417 0.3783 ( 2938 PWs) bands (ev): -15.1414 -15.1414 -14.9773 -14.9773 -1.0457 -1.0457 -0.1435 -0.1435 0.1017 0.1017 0.2094 0.2094 1.2327 1.2327 1.4373 1.4373 1.5557 1.5557 2.0870 2.0870 2.2001 2.2001 2.2749 2.2749 2.4545 2.4545 2.9407 2.9407 3.2459 3.2459 4.2908 4.2908 4.3198 4.3198 4.4066 4.4066 5.4369 5.4369 9.9877 9.9877 10.6430 10.6430 13.3153 13.3153 14.2725 14.2725 k =-0.1565 0.3295 0.3648 ( 2938 PWs) bands (ev): -15.1472 -15.1472 -14.9741 -14.9741 -1.0500 -1.0500 -0.1359 -0.1359 0.1071 0.1071 0.2148 0.2148 1.2400 1.2400 1.4461 1.4461 1.5765 1.5765 2.0956 2.0956 2.1951 2.1951 2.2875 2.2875 2.4440 2.4440 2.9300 2.9300 3.2218 3.2218 4.2728 4.2728 4.2939 4.2939 4.3925 4.3925 5.3828 5.3828 9.9600 9.9600 10.7655 10.7655 13.3031 13.3031 14.3773 14.3773 k =-0.1507 0.3173 0.3513 ( 2942 PWs) bands (ev): -15.1530 -15.1530 -14.9710 -14.9710 -1.0543 -1.0543 -0.1284 -0.1284 0.1125 0.1125 0.2203 0.2203 1.2478 1.2478 1.4547 1.4547 1.5991 1.5991 2.1026 2.1026 2.1909 2.1909 2.3003 2.3003 2.4341 2.4341 2.9186 2.9186 3.1991 3.1991 4.2543 4.2543 4.2678 4.2678 4.3778 4.3778 5.3274 5.3274 9.9286 9.9286 10.8927 10.8927 13.2831 13.2831 14.4997 14.4997 k =-0.1449 0.3051 0.3378 ( 2942 PWs) bands (ev): -15.1587 -15.1587 -14.9680 -14.9680 -1.0585 -1.0585 -0.1210 -0.1210 0.1179 0.1179 0.2256 0.2256 1.2560 1.2560 1.4631 1.4631 1.6230 1.6230 2.1075 2.1075 2.1883 2.1883 2.3131 2.3131 2.4250 2.4250 2.9064 2.9064 3.1779 3.1779 4.2353 4.2353 4.2417 4.2417 4.3627 4.3627 5.2710 5.2710 9.8950 9.8950 11.0218 11.0218 13.2603 13.2603 14.6351 14.6351 k =-0.1391 0.2929 0.3243 ( 2938 PWs) bands (ev): -15.1643 -15.1643 -14.9652 -14.9652 -1.0626 -1.0626 -0.1137 -0.1137 0.1232 0.1232 0.2308 0.2308 1.2645 1.2645 1.4715 1.4715 1.6481 1.6481 2.1098 2.1098 2.1876 2.1876 2.3259 2.3259 2.4167 2.4167 2.8934 2.8934 3.1587 3.1587 4.2152 4.2152 4.2163 4.2163 4.3471 4.3471 5.2139 5.2139 9.8603 9.8603 11.1506 11.1506 13.2390 13.2390 14.7802 14.7802 k =-0.1333 0.2807 0.3107 ( 2930 PWs) bands (ev): -15.1698 -15.1698 -14.9626 -14.9626 -1.0667 -1.0667 -0.1065 -0.1065 0.1286 0.1286 0.2359 0.2359 1.2733 1.2733 1.4798 1.4798 1.6741 1.6741 2.1094 2.1094 2.1894 2.1894 2.3384 2.3384 2.4095 2.4095 2.8796 2.8796 3.1418 3.1418 4.1894 4.1894 4.1964 4.1964 4.3312 4.3312 5.1561 5.1561 9.8251 9.8251 11.2765 11.2765 13.2227 13.2227 14.9324 14.9324 k =-0.1275 0.2685 0.2972 ( 2926 PWs) bands (ev): -15.1752 -15.1752 -14.9601 -14.9601 -1.0707 -1.0707 -0.0995 -0.0995 0.1338 0.1338 0.2406 0.2406 1.2823 1.2823 1.4882 1.4882 1.7005 1.7005 2.1065 2.1065 2.1934 2.1934 2.3504 2.3504 2.4033 2.4033 2.8651 2.8651 3.1273 3.1273 4.1635 4.1635 4.1766 4.1766 4.3149 4.3149 5.0978 5.0978 9.7898 9.7898 11.3968 11.3968 13.2147 13.2147 15.0897 15.0897 k =-0.1217 0.2563 0.2837 ( 2924 PWs) bands (ev): -15.1804 -15.1804 -14.9577 -14.9577 -1.0746 -1.0746 -0.0926 -0.0926 0.1390 0.1390 0.2451 0.2451 1.2915 1.2915 1.4965 1.4965 1.7272 1.7272 2.1019 2.1019 2.1991 2.1991 2.3614 2.3614 2.3987 2.3987 2.8499 2.8499 3.1157 3.1157 4.1377 4.1377 4.1568 4.1568 4.2985 4.2985 5.0392 5.0392 9.7549 9.7549 11.5085 11.5085 13.2184 13.2184 15.2502 15.2502 k =-0.1159 0.2441 0.2702 ( 2924 PWs) bands (ev): -15.1855 -15.1855 -14.9555 -14.9555 -1.0784 -1.0784 -0.0859 -0.0859 0.1441 0.1441 0.2492 0.2492 1.3008 1.3008 1.5049 1.5049 1.7538 1.7538 2.0963 2.0963 2.2058 2.2058 2.3700 2.3700 2.3968 2.3968 2.8342 2.8342 3.1071 3.1071 4.1121 4.1121 4.1370 4.1370 4.2820 4.2820 4.9802 4.9802 9.7207 9.7207 11.6086 11.6086 13.2368 13.2368 15.4117 15.4117 k =-0.1101 0.2319 0.2567 ( 2920 PWs) bands (ev): -15.1904 -15.1904 -14.9534 -14.9534 -1.0821 -1.0821 -0.0794 -0.0794 0.1491 0.1491 0.2529 0.2529 1.3101 1.3101 1.5134 1.5134 1.7801 1.7801 2.0905 2.0905 2.2130 2.2130 2.3739 2.3739 2.4000 2.4000 2.8181 2.8181 3.1018 3.1018 4.0867 4.0867 4.1173 4.1173 4.2655 4.2655 4.9210 4.9210 9.6873 9.6873 11.6945 11.6945 13.2726 13.2726 15.5690 15.5690 k =-0.1043 0.2197 0.2432 ( 2919 PWs) bands (ev): -15.1951 -15.1951 -14.9514 -14.9514 -1.0857 -1.0857 -0.0731 -0.0731 0.1539 0.1539 0.2563 0.2563 1.3193 1.3193 1.5218 1.5218 1.8056 1.8056 2.0849 2.0849 2.2204 2.2204 2.3735 2.3735 2.4076 2.4076 2.8016 2.8016 3.1000 3.1000 4.0617 4.0617 4.0978 4.0978 4.2493 4.2493 4.8616 4.8616 9.6550 9.6550 11.7641 11.7641 13.3275 13.3275 15.7040 15.7040 k =-0.0985 0.2075 0.2297 ( 2917 PWs) bands (ev): -15.1997 -15.1997 -14.9496 -14.9496 -1.0891 -1.0891 -0.0670 -0.0670 0.1586 0.1586 0.2593 0.2593 1.3284 1.3284 1.5303 1.5303 1.8300 1.8300 2.0801 2.0801 2.2274 2.2274 2.3717 2.3717 2.4169 2.4169 2.7849 2.7849 3.1018 3.1018 4.0370 4.0370 4.0785 4.0785 4.2333 4.2333 4.8021 4.8021 9.6239 9.6239 11.8169 11.8169 13.4016 13.4016 15.7762 15.7762 k =-0.0927 0.1953 0.2162 ( 2917 PWs) bands (ev): -15.2041 -15.2041 -14.9479 -14.9479 -1.0924 -1.0924 -0.0612 -0.0612 0.1631 0.1631 0.2618 0.2618 1.3372 1.3372 1.5386 1.5386 1.8530 1.8530 2.0766 2.0766 2.2337 2.2337 2.3699 2.3699 2.4264 2.4264 2.7682 2.7682 3.1073 3.1073 4.0129 4.0129 4.0594 4.0594 4.2178 4.2178 4.7425 4.7425 9.5940 9.5940 11.8537 11.8537 13.4935 13.4935 15.8027 15.8027 k =-0.0869 0.1831 0.2027 ( 2919 PWs) bands (ev): -15.2082 -15.2082 -14.9463 -14.9463 -1.0956 -1.0956 -0.0556 -0.0556 0.1674 0.1674 0.2640 0.2640 1.3458 1.3458 1.5469 1.5469 1.8740 1.8740 2.0749 2.0749 2.2388 2.2388 2.3689 2.3689 2.4357 2.4357 2.7515 2.7515 3.1166 3.1166 3.9893 3.9893 4.0407 4.0407 4.2029 4.2029 4.6830 4.6830 9.5656 9.5656 11.8765 11.8765 13.6007 13.6007 15.8185 15.8185 k =-0.0811 0.1709 0.1892 ( 2925 PWs) bands (ev): -15.2122 -15.2122 -14.9448 -14.9448 -1.0986 -1.0986 -0.0502 -0.0502 0.1715 0.1715 0.2659 0.2659 1.3539 1.3539 1.5550 1.5550 1.8927 1.8927 2.0753 2.0753 2.2425 2.2425 2.3690 2.3690 2.4445 2.4445 2.7350 2.7350 3.1297 3.1297 3.9666 3.9666 4.0224 4.0224 4.1886 4.1886 4.6235 4.6235 9.5387 9.5387 11.8879 11.8879 13.7196 13.7196 15.8332 15.8332 k =-0.0753 0.1587 0.1756 ( 2933 PWs) bands (ev): -15.2159 -15.2159 -14.9435 -14.9435 -1.1014 -1.1014 -0.0452 -0.0452 0.1753 0.1753 0.2673 0.2673 1.3617 1.3617 1.5628 1.5628 1.9087 1.9087 2.0782 2.0782 2.2443 2.2443 2.3705 2.3705 2.4527 2.4527 2.7188 2.7188 3.1464 3.1464 3.9446 3.9446 4.0047 4.0047 4.1751 4.1751 4.5641 4.5641 9.5134 9.5134 11.8905 11.8905 13.8466 13.8466 15.8501 15.8501 k =-0.0695 0.1465 0.1621 ( 2927 PWs) bands (ev): -15.2193 -15.2193 -14.9423 -14.9423 -1.1040 -1.1040 -0.0404 -0.0404 0.1790 0.1790 0.2685 0.2685 1.3690 1.3690 1.5704 1.5704 1.9220 1.9220 2.0838 2.0838 2.2443 2.2443 2.3734 2.3734 2.4603 2.4603 2.7030 2.7030 3.1666 3.1666 3.9238 3.9238 3.9875 3.9875 4.1625 4.1625 4.5051 4.5051 9.4897 9.4897 11.8867 11.8867 13.9780 13.9780 15.8705 15.8705 k =-0.0638 0.1343 0.1486 ( 2931 PWs) bands (ev): -15.2226 -15.2226 -14.9411 -14.9411 -1.1065 -1.1065 -0.0359 -0.0359 0.1823 0.1823 0.2694 0.2694 1.3757 1.3757 1.5776 1.5776 1.9324 1.9324 2.0919 2.0919 2.2425 2.2425 2.3775 2.3775 2.4672 2.4672 2.6877 2.6877 3.1900 3.1900 3.9042 3.9042 3.9710 3.9710 4.1508 4.1508 4.4463 4.4463 9.4677 9.4677 11.8785 11.8785 14.1102 14.1102 15.8958 15.8958 k =-0.0580 0.1220 0.1351 ( 2923 PWs) bands (ev): -15.2255 -15.2255 -14.9401 -14.9401 -1.1088 -1.1088 -0.0318 -0.0318 0.1854 0.1854 0.2700 0.2700 1.3820 1.3820 1.5844 1.5844 1.9405 1.9405 2.1020 2.1020 2.2394 2.2394 2.3825 2.3825 2.4734 2.4734 2.6731 2.6731 3.2163 3.2163 3.8861 3.8861 3.9553 3.9553 4.1400 4.1400 4.3881 4.3881 9.4475 9.4475 11.8676 11.8676 14.2398 14.2398 15.9269 15.9269 k =-0.0522 0.1098 0.1216 ( 2919 PWs) bands (ev): -15.2282 -15.2282 -14.9392 -14.9392 -1.1108 -1.1108 -0.0280 -0.0280 0.1883 0.1883 0.2704 0.2704 1.3876 1.3876 1.5907 1.5907 1.9466 1.9466 2.1135 2.1135 2.2352 2.2352 2.3880 2.3880 2.4788 2.4788 2.6594 2.6594 3.2451 3.2451 3.8697 3.8697 3.9406 3.9406 4.1302 4.1302 4.3306 4.3306 9.4291 9.4291 11.8550 11.8550 14.3636 14.3636 15.9646 15.9646 k =-0.0464 0.0976 0.1081 ( 2915 PWs) bands (ev): -15.2307 -15.2307 -14.9384 -14.9384 -1.1127 -1.1127 -0.0246 -0.0246 0.1908 0.1908 0.2706 0.2706 1.3927 1.3927 1.5964 1.5964 1.9513 1.9513 2.1257 2.1257 2.2304 2.2304 2.3936 2.3936 2.4834 2.4834 2.6467 2.6467 3.2758 3.2758 3.8553 3.8553 3.9270 3.9270 4.1213 4.1213 4.2740 4.2740 9.4125 9.4125 11.8419 11.8419 14.4786 14.4786 16.0094 16.0094 k =-0.0406 0.0854 0.0946 ( 2915 PWs) bands (ev): -15.2329 -15.2329 -14.9377 -14.9377 -1.1144 -1.1144 -0.0215 -0.0215 0.1931 0.1931 0.2707 0.2707 1.3972 1.3972 1.6016 1.6016 1.9551 1.9551 2.1381 2.1381 2.2254 2.2254 2.3988 2.3988 2.4873 2.4873 2.6353 2.6353 3.3077 3.3077 3.8433 3.8433 3.9147 3.9147 4.1133 4.1133 4.2186 4.2186 9.3978 9.3978 11.8290 11.8290 14.5823 14.5823 16.0612 16.0612 k =-0.0348 0.0732 0.0811 ( 2915 PWs) bands (ev): -15.2348 -15.2348 -14.9371 -14.9371 -1.1158 -1.1158 -0.0188 -0.0188 0.1950 0.1950 0.2707 0.2707 1.4010 1.4010 1.6062 1.6062 1.9580 1.9580 2.1500 2.1500 2.2205 2.2205 2.4033 2.4033 2.4905 2.4905 2.6253 2.6253 3.3400 3.3400 3.8341 3.8341 3.9038 3.9038 4.1059 4.1059 4.1652 4.1652 9.3850 9.3850 11.8169 11.8169 14.6726 14.6726 16.1190 16.1190 k =-0.0290 0.0610 0.0676 ( 2913 PWs) bands (ev): -15.2364 -15.2364 -14.9366 -14.9366 -1.1171 -1.1171 -0.0165 -0.0165 0.1967 0.1967 0.2706 0.2706 1.4043 1.4043 1.6101 1.6101 1.9605 1.9605 2.1611 2.1611 2.2160 2.2160 2.4071 2.4071 2.4929 2.4929 2.6168 2.6168 3.3715 3.3715 3.8282 3.8282 3.8947 3.8947 4.0957 4.0957 4.1176 4.1176 9.3741 9.3741 11.8060 11.8060 14.7485 14.7485 16.1804 16.1804 k =-0.0232 0.0488 0.0540 ( 2913 PWs) bands (ev): -15.2377 -15.2377 -14.9362 -14.9362 -1.1181 -1.1181 -0.0146 -0.0146 0.1981 0.1981 0.2705 0.2705 1.4070 1.4070 1.6133 1.6133 1.9624 1.9624 2.1708 2.1708 2.2120 2.2120 2.4100 2.4100 2.4946 2.4946 2.6101 2.6101 3.4011 3.4011 3.8261 3.8261 3.8875 3.8875 4.0590 4.0590 4.1001 4.1001 9.3652 9.3652 11.7967 11.7967 14.8094 14.8094 16.2416 16.2416 k =-0.0174 0.0366 0.0405 ( 2905 PWs) bands (ev): -15.2387 -15.2387 -14.9359 -14.9359 -1.1189 -1.1189 -0.0130 -0.0130 0.1991 0.1991 0.2704 0.2704 1.4090 1.4090 1.6158 1.6158 1.9639 1.9639 2.1788 2.1788 2.2089 2.2089 2.4120 2.4120 2.4958 2.4958 2.6050 2.6050 3.4269 3.4269 3.8281 3.8281 3.8830 3.8830 4.0140 4.0140 4.0953 4.0953 9.3582 9.3582 11.7892 11.7892 14.8558 14.8558 16.2978 16.2978 k =-0.0116 0.0244 0.0270 ( 2903 PWs) bands (ev): -15.2395 -15.2395 -14.9356 -14.9356 -1.1194 -1.1194 -0.0120 -0.0120 0.1999 0.1999 0.2703 0.2703 1.4105 1.4105 1.6176 1.6176 1.9650 1.9650 2.1847 2.1847 2.2066 2.2066 2.4132 2.4132 2.4965 2.4965 2.6014 2.6014 3.4473 3.4473 3.8336 3.8336 3.8825 3.8825 3.9727 3.9727 4.0924 4.0924 9.3532 9.3532 11.7838 11.7838 14.8881 14.8881 16.3435 16.3435 k =-0.0058 0.0122 0.0135 ( 2903 PWs) bands (ev): -15.2399 -15.2399 -14.9355 -14.9355 -1.1198 -1.1198 -0.0113 -0.0113 0.2003 0.2003 0.2702 0.2702 1.4114 1.4114 1.6187 1.6187 1.9657 1.9657 2.1883 2.1883 2.2053 2.2053 2.4138 2.4138 2.4969 2.4969 2.5994 2.5994 3.4604 3.4604 3.8397 3.8397 3.8887 3.8887 3.9375 3.9375 4.0907 4.0907 9.3502 9.3502 11.7804 11.7804 14.9072 14.9072 16.3735 16.3735 k = 0.0000 0.0000 0.0000 ( 2903 PWs) bands (ev): -15.2401 -15.2401 -14.9354 -14.9354 -1.1199 -1.1199 -0.0111 -0.0111 0.2005 0.2005 0.2702 0.2702 1.4117 1.4117 1.6191 1.6191 1.9659 1.9659 2.1895 2.1895 2.2049 2.2049 2.4140 2.4140 2.4971 2.4971 2.5987 2.5987 3.4649 3.4649 3.8423 3.8423 3.8992 3.8992 3.9166 3.9166 4.0901 4.0901 9.3492 9.3492 11.7793 11.7793 14.9135 14.9135 16.3839 16.3839 k = 0.0000 0.0000 0.0000 ( 2903 PWs) bands (ev): -15.2401 -15.2401 -14.9354 -14.9354 -1.1199 -1.1199 -0.0111 -0.0111 0.2005 0.2005 0.2702 0.2702 1.4117 1.4117 1.6191 1.6191 1.9659 1.9659 2.1895 2.1895 2.2049 2.2049 2.4140 2.4140 2.4971 2.4971 2.5987 2.5987 3.4649 3.4649 3.8423 3.8423 3.8992 3.8992 3.9166 3.9166 4.0901 4.0901 9.3492 9.3492 11.7793 11.7793 14.9135 14.9135 16.3839 16.3839 k = 0.0172 0.0082-0.0000 ( 2907 PWs) bands (ev): -15.2400 -15.2400 -14.9355 -14.9355 -1.1193 -1.1193 -0.0119 -0.0119 0.2001 0.2001 0.2703 0.2703 1.4126 1.4126 1.6178 1.6178 1.9670 1.9670 2.1801 2.1801 2.1908 2.1908 2.4141 2.4141 2.5242 2.5242 2.5973 2.5973 3.4656 3.4656 3.8420 3.8420 3.8992 3.8992 3.9164 3.9164 4.0891 4.0891 9.3415 9.3415 11.7870 11.7870 14.9140 14.9140 16.3843 16.3843 k = 0.0345 0.0164-0.0000 ( 2907 PWs) bands (ev): -15.2399 -15.2399 -14.9355 -14.9355 -1.1176 -1.1176 -0.0144 -0.0144 0.1989 0.1989 0.2706 0.2706 1.4154 1.4154 1.6142 1.6142 1.9703 1.9703 2.1227 2.1227 2.1947 2.1947 2.4143 2.4143 2.5805 2.5805 2.6010 2.6010 3.4679 3.4679 3.8413 3.8413 3.8990 3.8990 3.9160 3.9160 4.0861 4.0861 9.3187 9.3187 11.8096 11.8096 14.9155 14.9155 16.3853 16.3853 k = 0.0517 0.0246-0.0000 ( 2911 PWs) bands (ev): -15.2397 -15.2397 -14.9357 -14.9357 -1.1147 -1.1147 -0.0184 -0.0184 0.1970 0.1970 0.2710 0.2710 1.4198 1.4198 1.6084 1.6084 1.9754 1.9754 2.0534 2.0534 2.2012 2.2012 2.4146 2.4146 2.5801 2.5801 2.6753 2.6753 3.4714 3.4714 3.8401 3.8401 3.8988 3.8988 3.9154 3.9154 4.0811 4.0811 9.2817 9.2817 11.8464 11.8464 14.9181 14.9181 16.3870 16.3870 k = 0.0690 0.0327-0.0000 ( 2915 PWs) bands (ev): -15.2395 -15.2395 -14.9358 -14.9358 -1.1107 -1.1107 -0.0240 -0.0240 0.1943 0.1943 0.2716 0.2716 1.4259 1.4259 1.6009 1.6009 1.9812 1.9812 1.9817 1.9817 2.2106 2.2106 2.4152 2.4152 2.5685 2.5685 2.7659 2.7659 3.4760 3.4760 3.8384 3.8384 3.8984 3.8984 3.9147 3.9147 4.0741 4.0741 9.2317 9.2317 11.8960 11.8960 14.9216 14.9216 16.3894 16.3894 k = 0.0862 0.0409-0.0000 ( 2915 PWs) bands (ev): -15.2392 -15.2392 -14.9361 -14.9361 -1.1056 -1.1056 -0.0310 -0.0310 0.1911 0.1911 0.2723 0.2723 1.4334 1.4334 1.5920 1.5920 1.9094 1.9094 1.9887 1.9887 2.2228 2.2228 2.4159 2.4159 2.5535 2.5535 2.8619 2.8619 3.4813 3.4813 3.8363 3.8363 3.8978 3.8978 3.9141 3.9141 4.0652 4.0652 9.1704 9.1704 11.9568 11.9568 14.9261 14.9261 16.3924 16.3924 k = 0.1034 0.0491-0.0000 ( 2907 PWs) bands (ev): -15.2388 -15.2388 -14.9363 -14.9363 -1.0995 -1.0995 -0.0394 -0.0394 0.1873 0.1873 0.2730 0.2730 1.4421 1.4421 1.5821 1.5821 1.8398 1.8398 1.9958 1.9958 2.2378 2.2378 2.4169 2.4169 2.5360 2.5360 2.9610 2.9610 3.4870 3.4870 3.8339 3.8339 3.8969 3.8969 3.9136 3.9136 4.0547 4.0547 9.0993 9.0993 12.0272 12.0272 14.9314 14.9314 16.3959 16.3959 k = 0.1207 0.0573-0.0000 ( 2907 PWs) bands (ev): -15.2384 -15.2384 -14.9366 -14.9366 -1.0925 -1.0925 -0.0491 -0.0491 0.1830 0.1830 0.2737 0.2737 1.4516 1.4516 1.5716 1.5716 1.7732 1.7732 2.0028 2.0028 2.2556 2.2556 2.4184 2.4184 2.5164 2.5164 3.0623 3.0623 3.4925 3.4925 3.8314 3.8314 3.8957 3.8957 3.9136 3.9136 4.0425 4.0425 9.0200 9.0200 12.1056 12.1056 14.9376 14.9376 16.4000 16.4000 k = 0.1379 0.0655-0.0000 ( 2915 PWs) bands (ev): -15.2379 -15.2379 -14.9369 -14.9369 -1.0845 -1.0845 -0.0600 -0.0600 0.1784 0.1784 0.2744 0.2744 1.4614 1.4614 1.5607 1.5607 1.7103 1.7103 2.0092 2.0092 2.2757 2.2757 2.4205 2.4205 2.4952 2.4952 3.1648 3.1648 3.4976 3.4976 3.8290 3.8290 3.8938 3.8938 3.9142 3.9142 4.0290 4.0290 8.9339 8.9339 12.1905 12.1905 14.9445 14.9445 16.4046 16.4046 k = 0.1552 0.0737-0.0000 ( 2915 PWs) bands (ev): -15.2374 -15.2374 -14.9373 -14.9373 -1.0758 -1.0758 -0.0720 -0.0720 0.1734 0.1734 0.2750 0.2750 1.4708 1.4708 1.5498 1.5498 1.6519 1.6519 2.0149 2.0149 2.2976 2.2976 2.4236 2.4236 2.4729 2.4729 3.2674 3.2674 3.5021 3.5021 3.8269 3.8269 3.8911 3.8911 3.9157 3.9157 4.0145 4.0145 8.8423 8.8423 12.2806 12.2806 14.9520 14.9520 16.4096 16.4096 k = 0.1724 0.0819-0.0000 ( 2927 PWs) bands (ev): -15.2368 -15.2368 -14.9377 -14.9377 -1.0663 -1.0663 -0.0849 -0.0849 0.1682 0.1682 0.2755 0.2755 1.4783 1.4783 1.5390 1.5390 1.5994 1.5994 2.0199 2.0199 2.3204 2.3204 2.4284 2.4284 2.4501 2.4501 3.3679 3.3679 3.5071 3.5071 3.8255 3.8255 3.8872 3.8872 3.9185 3.9185 3.9994 3.9994 8.7465 8.7465 12.3745 12.3745 14.9601 14.9601 16.4149 16.4149 k = 0.1897 0.0901-0.0000 ( 2927 PWs) bands (ev): -15.2362 -15.2362 -14.9381 -14.9381 -1.0563 -1.0563 -0.0986 -0.0986 0.1629 0.1629 0.2760 0.2760 1.4797 1.4797 1.5285 1.5285 1.5567 1.5567 2.0243 2.0243 2.3424 2.3424 2.4274 2.4274 2.4363 2.4363 3.4541 3.4541 3.5232 3.5232 3.8250 3.8250 3.8812 3.8812 3.9234 3.9234 3.9847 3.9847 8.6473 8.6473 12.4713 12.4713 14.9686 14.9686 16.4205 16.4205 k = 0.2069 0.0982-0.0000 ( 2923 PWs) bands (ev): -15.2356 -15.2356 -14.9385 -14.9385 -1.0457 -1.0457 -0.1130 -0.1130 0.1574 0.1574 0.2764 0.2764 1.4643 1.4643 1.5184 1.5184 1.5341 1.5341 2.0280 2.0280 2.3613 2.3613 2.4052 2.4052 2.4492 2.4492 3.4834 3.4834 3.5907 3.5907 3.8257 3.8257 3.8724 3.8724 3.9321 3.9321 3.9712 3.9712 8.5456 8.5456 12.5700 12.5700 14.9775 14.9775 16.4263 16.4263 k = 0.2241 0.1064-0.0000 ( 2923 PWs) bands (ev): -15.2349 -15.2349 -14.9390 -14.9390 -1.0347 -1.0347 -0.1279 -0.1279 0.1518 0.1518 0.2767 0.2767 1.4329 1.4329 1.5087 1.5087 1.5307 1.5307 2.0312 2.0312 2.3753 2.3753 2.3842 2.3842 2.4688 2.4688 3.4836 3.4836 3.6776 3.6776 3.8278 3.8278 3.8600 3.8600 3.9480 3.9480 3.9598 3.9598 8.4423 8.4423 12.6696 12.6696 14.9867 14.9867 16.4323 16.4323 k = 0.2414 0.1146-0.0000 ( 2931 PWs) bands (ev): -15.2343 -15.2343 -14.9394 -14.9394 -1.0235 -1.0235 -0.1432 -0.1432 0.1463 0.1463 0.2769 0.2769 1.3984 1.3984 1.4995 1.4995 1.5329 1.5329 2.0340 2.0340 2.3649 2.3649 2.3844 2.3844 2.4946 2.4946 3.4776 3.4776 3.7529 3.7529 3.8318 3.8318 3.8435 3.8435 3.9510 3.9510 3.9786 3.9786 8.3381 8.3381 12.7695 12.7695 14.9960 14.9960 16.4383 16.4383 k = 0.2586 0.1228-0.0000 ( 2947 PWs) bands (ev): -15.2336 -15.2336 -14.9399 -14.9399 -1.0121 -1.0121 -0.1587 -0.1587 0.1408 0.1408 0.2771 0.2771 1.3663 1.3663 1.4909 1.4909 1.5350 1.5350 2.0363 2.0363 2.3478 2.3478 2.3900 2.3900 2.5248 2.5248 3.4682 3.4682 3.8029 3.8029 3.8233 3.8233 3.8388 3.8388 3.9447 3.9447 4.0330 4.0330 8.2336 8.2336 12.8686 12.8686 15.0053 15.0053 16.4443 16.4443 k = 0.2759 0.1310-0.0000 ( 2955 PWs) bands (ev): -15.2329 -15.2329 -14.9404 -14.9404 -1.0007 -1.0007 -0.1743 -0.1743 0.1355 0.1355 0.2772 0.2772 1.3378 1.3378 1.4830 1.4830 1.5352 1.5352 2.0383 2.0383 2.3332 2.3332 2.3937 2.3937 2.5580 2.5580 3.4564 3.4564 3.8000 3.8000 3.8258 3.8258 3.8505 3.8505 3.9404 3.9404 4.1102 4.1102 8.1294 8.1294 12.9664 12.9664 15.0145 15.0145 16.4502 16.4502 k = 0.2931 0.1392-0.0000 ( 2959 PWs) bands (ev): -15.2323 -15.2323 -14.9408 -14.9408 -0.9894 -0.9894 -0.1898 -0.1898 0.1303 0.1303 0.2772 0.2772 1.3134 1.3134 1.4756 1.4756 1.5329 1.5329 2.0400 2.0400 2.3216 2.3216 2.3961 2.3961 2.5928 2.5928 3.4428 3.4428 3.7744 3.7744 3.8357 3.8357 3.8620 3.8620 3.9375 3.9375 4.2000 4.2000 8.0263 8.0263 13.0621 13.0621 15.0235 15.0235 16.4560 16.4560 k = 0.3103 0.1474-0.0000 ( 2959 PWs) bands (ev): -15.2316 -15.2316 -14.9413 -14.9413 -0.9784 -0.9784 -0.2049 -0.2049 0.1253 0.1253 0.2772 0.2772 1.2933 1.2933 1.4688 1.4688 1.5275 1.5275 2.0415 2.0415 2.3131 2.3131 2.3979 2.3979 2.6286 2.6286 3.4279 3.4279 3.7471 3.7471 3.8425 3.8425 3.8703 3.8703 3.9355 3.9355 4.2945 4.2945 7.9250 7.9250 13.1547 13.1547 15.0323 15.0323 16.4615 16.4615 k = 0.3276 0.1556-0.0000 ( 2967 PWs) bands (ev): -15.2310 -15.2310 -14.9417 -14.9417 -0.9677 -0.9677 -0.2196 -0.2196 0.1206 0.1206 0.2771 0.2771 1.2775 1.2775 1.4627 1.4627 1.5190 1.5190 2.0427 2.0427 2.3076 2.3076 2.3992 2.3992 2.6647 2.6647 3.4120 3.4120 3.7187 3.7187 3.8484 3.8484 3.8764 3.8764 3.9342 3.9342 4.3897 4.3897 7.8261 7.8261 13.2437 13.2437 15.0406 15.0406 16.4668 16.4668 k = 0.3448 0.1637-0.0000 ( 2959 PWs) bands (ev): -15.2305 -15.2305 -14.9421 -14.9421 -0.9575 -0.9575 -0.2336 -0.2336 0.1162 0.1162 0.2770 0.2770 1.2659 1.2659 1.4572 1.4572 1.5076 1.5076 2.0438 2.0438 2.3049 2.3049 2.4002 2.4002 2.7007 2.7007 3.3957 3.3957 3.6897 3.6897 3.8536 3.8536 3.8813 3.8813 3.9333 3.9333 4.4832 4.4832 7.7306 7.7306 13.3280 13.3280 15.0484 15.0484 16.4718 16.4718 k = 0.3621 0.1719-0.0000 ( 2959 PWs) bands (ev): -15.2299 -15.2299 -14.9425 -14.9425 -0.9480 -0.9480 -0.2468 -0.2468 0.1122 0.1122 0.2769 0.2769 1.2583 1.2583 1.4523 1.4523 1.4934 1.4934 2.0447 2.0447 2.3047 2.3047 2.4009 2.4009 2.7361 2.7361 3.3795 3.3795 3.6606 3.6606 3.8580 3.8580 3.8857 3.8857 3.9327 3.9327 4.5733 4.5733 7.6394 7.6394 13.4069 13.4069 15.0557 15.0557 16.4763 16.4763 k = 0.3793 0.1801-0.0000 ( 2943 PWs) bands (ev): -15.2294 -15.2294 -14.9428 -14.9428 -0.9392 -0.9392 -0.2589 -0.2589 0.1086 0.1086 0.2769 0.2769 1.2545 1.2545 1.4480 1.4480 1.4771 1.4771 2.0455 2.0455 2.3065 2.3065 2.4016 2.4016 2.7704 2.7704 3.3638 3.3638 3.6319 3.6319 3.8618 3.8618 3.8896 3.8896 3.9323 3.9323 4.6586 4.6586 7.5535 7.5535 13.4794 13.4794 15.0623 15.0623 16.4805 16.4805 k = 0.3966 0.1883-0.0000 ( 2919 PWs) bands (ev): -15.2290 -15.2290 -14.9431 -14.9431 -0.9313 -0.9313 -0.2699 -0.2699 0.1054 0.1054 0.2768 0.2768 1.2544 1.2544 1.4443 1.4443 1.4590 1.4590 2.0462 2.0462 2.3098 2.3098 2.4020 2.4020 2.8029 2.8029 3.3490 3.3490 3.6043 3.6043 3.8649 3.8649 3.8933 3.8933 3.9321 3.9321 4.7376 4.7376 7.4743 7.4743 13.5447 13.5447 15.0682 15.0682 16.4842 16.4842 k = 0.4138 0.1965-0.0000 ( 2940 PWs) bands (ev): -15.2286 -15.2286 -14.9433 -14.9433 -0.9244 -0.9244 -0.2795 -0.2795 0.1026 0.1026 0.2766 0.2766 1.2575 1.2575 1.4398 1.4398 1.4412 1.4412 2.0467 2.0467 2.3138 2.3138 2.4024 2.4024 2.8329 2.8329 3.3356 3.3356 3.5784 3.5784 3.8673 3.8673 3.8967 3.8967 3.9320 3.9320 4.8086 4.8086 7.4032 7.4032 13.6018 13.6018 15.0733 15.0733 16.4873 16.4873 k = 0.4310 0.2047-0.0000 ( 2940 PWs) bands (ev): -15.2283 -15.2283 -14.9436 -14.9436 -0.9186 -0.9186 -0.2876 -0.2876 0.1003 0.1003 0.2766 0.2766 1.2634 1.2634 1.4203 1.4203 1.4387 1.4387 2.0472 2.0472 2.3181 2.3181 2.4027 2.4027 2.8595 2.8595 3.3240 3.3240 3.5551 3.5551 3.8691 3.8691 3.8997 3.8997 3.9319 3.9319 4.8701 4.8701 7.3417 7.3417 13.6499 13.6499 15.0775 15.0775 16.4900 16.4900 k = 0.4483 0.2129-0.0000 ( 2944 PWs) bands (ev): -15.2280 -15.2280 -14.9437 -14.9437 -0.9140 -0.9140 -0.2940 -0.2940 0.0984 0.0984 0.2765 0.2765 1.2715 1.2715 1.4014 1.4014 1.4367 1.4367 2.0475 2.0475 2.3220 2.3220 2.4029 2.4029 2.8818 2.8818 3.3145 3.3145 3.5354 3.5354 3.8704 3.8704 3.9021 3.9021 3.9318 3.9318 4.9203 4.9203 7.2916 7.2916 13.6883 13.6883 15.0809 15.0809 16.4920 16.4920 k = 0.4655 0.2211-0.0000 ( 2944 PWs) bands (ev): -15.2279 -15.2279 -14.9439 -14.9439 -0.9107 -0.9107 -0.2987 -0.2987 0.0971 0.0971 0.2764 0.2764 1.2806 1.2806 1.3843 1.3843 1.4353 1.4353 2.0477 2.0477 2.3252 2.3252 2.4031 2.4031 2.8988 2.8988 3.3075 3.3075 3.5203 3.5203 3.8713 3.8713 3.9039 3.9039 3.9318 3.9318 4.9576 4.9576 7.2543 7.2543 13.7162 13.7162 15.0833 15.0833 16.4935 16.4935 k = 0.4828 0.2292-0.0000 ( 2944 PWs) bands (ev): -15.2277 -15.2277 -14.9439 -14.9439 -0.9086 -0.9086 -0.3015 -0.3015 0.0964 0.0964 0.2764 0.2764 1.2887 1.2887 1.3715 1.3715 1.4345 1.4345 2.0478 2.0478 2.3272 2.3272 2.4032 2.4032 2.9095 2.9095 3.3032 3.3032 3.5107 3.5107 3.8718 3.8718 3.9050 3.9050 3.9318 3.9318 4.9806 4.9806 7.2314 7.2314 13.7332 13.7332 15.0847 15.0847 16.4944 16.4944 k = 0.5000 0.2374-0.0000 ( 2936 PWs) bands (ev): -15.2277 -15.2277 -14.9439 -14.9439 -0.9079 -0.9079 -0.3025 -0.3025 0.0961 0.0961 0.2764 0.2764 1.2921 1.2921 1.3664 1.3664 1.4342 1.4342 2.0479 2.0479 2.3279 2.3279 2.4032 2.4032 2.9131 2.9131 3.3018 3.3018 3.5075 3.5075 3.8720 3.8720 3.9054 3.9054 3.9318 3.9318 4.9884 4.9884 7.2236 7.2236 13.7389 13.7389 15.0852 15.0852 16.4947 16.4947 k = 0.5000 0.2374-0.0000 ( 2936 PWs) bands (ev): -15.2277 -15.2277 -14.9439 -14.9439 -0.9079 -0.9079 -0.3025 -0.3025 0.0961 0.0961 0.2764 0.2764 1.2921 1.2921 1.3664 1.3664 1.4342 1.4342 2.0479 2.0479 2.3279 2.3279 2.4032 2.4032 2.9131 2.9131 3.3018 3.3018 3.5075 3.5075 3.8720 3.8720 3.9054 3.9054 3.9318 3.9318 4.9884 4.9884 7.2236 7.2236 13.7389 13.7389 15.0852 15.0852 16.4947 16.4947 k = 0.4943 0.2494 0.0133 ( 2936 PWs) bands (ev): -15.2276 -15.2276 -14.9440 -14.9440 -0.9080 -0.9080 -0.3025 -0.3025 0.0959 0.0959 0.2764 0.2764 1.2917 1.2917 1.3647 1.3647 1.4371 1.4371 2.0470 2.0470 2.3278 2.3278 2.4025 2.4025 2.9127 2.9127 3.3030 3.3030 3.5081 3.5081 3.8354 3.8354 3.9033 3.9033 3.9715 3.9715 4.9886 4.9886 7.2252 7.2252 13.7396 13.7396 15.0791 15.0791 16.4837 16.4837 k = 0.4886 0.2614 0.0265 ( 2942 PWs) bands (ev): -15.2271 -15.2271 -14.9441 -14.9441 -0.9081 -0.9081 -0.3026 -0.3026 0.0954 0.0954 0.2766 0.2766 1.2902 1.2902 1.3606 1.3606 1.4450 1.4450 2.0444 2.0444 2.3275 2.3275 2.4003 2.4003 2.9114 2.9114 3.3063 3.3063 3.5102 3.5102 3.7781 3.7781 3.9062 3.9062 4.0292 4.0292 4.9891 4.9891 7.2298 7.2298 13.7416 13.7416 15.0605 15.0605 16.4524 16.4524 k = 0.4829 0.2734 0.0398 ( 2942 PWs) bands (ev): -15.2265 -15.2265 -14.9443 -14.9443 -0.9083 -0.9083 -0.3028 -0.3028 0.0946 0.0946 0.2768 0.2768 1.2878 1.2878 1.3558 1.3558 1.4560 1.4560 2.0402 2.0402 2.3269 2.3269 2.3967 2.3967 2.9092 2.9092 3.3116 3.3116 3.5138 3.5138 3.7192 3.7192 3.9117 3.9117 4.0882 4.0882 4.9899 4.9899 7.2377 7.2377 13.7449 13.7449 15.0290 15.0290 16.4056 16.4056 k = 0.4772 0.2853 0.0530 ( 2950 PWs) bands (ev): -15.2255 -15.2255 -14.9446 -14.9446 -0.9086 -0.9086 -0.3031 -0.3031 0.0934 0.0934 0.2771 0.2771 1.2842 1.2842 1.3515 1.3515 1.4690 1.4690 2.0344 2.0344 2.3261 2.3261 2.3917 2.3917 2.9064 2.9064 3.3182 3.3182 3.5188 3.5188 3.6611 3.6611 3.9194 3.9194 4.1469 4.1469 4.9911 4.9911 7.2486 7.2486 13.7490 13.7490 14.9842 14.9842 16.3493 16.3493 k = 0.4716 0.2973 0.0663 ( 2958 PWs) bands (ev): -15.2243 -15.2243 -14.9450 -14.9450 -0.9090 -0.9090 -0.3035 -0.3035 0.0919 0.0919 0.2775 0.2775 1.2796 1.2796 1.3485 1.3485 1.4831 1.4831 2.0272 2.0272 2.3251 2.3251 2.3854 2.3854 2.9028 2.9028 3.3250 3.3250 3.5253 3.5253 3.6053 3.6053 3.9291 3.9291 4.2047 4.2047 4.9926 4.9926 7.2628 7.2628 13.7533 13.7533 14.9259 14.9259 16.2895 16.2895 k = 0.4659 0.3093 0.0796 ( 2960 PWs) bands (ev): -15.2227 -15.2227 -14.9455 -14.9455 -0.9094 -0.9094 -0.3039 -0.3039 0.0901 0.0901 0.2779 0.2779 1.2743 1.2743 1.3469 1.3469 1.4977 1.4977 2.0187 2.0187 2.3239 2.3239 2.3780 2.3780 2.8986 2.8986 3.3301 3.3301 3.5318 3.5318 3.5553 3.5553 3.9407 3.9407 4.2613 4.2613 4.9946 4.9946 7.2802 7.2802 13.7571 13.7571 14.8544 14.8544 16.2310 16.2310 k = 0.4602 0.3213 0.0928 ( 2968 PWs) bands (ev): -15.2210 -15.2210 -14.9461 -14.9461 -0.9099 -0.9099 -0.3044 -0.3044 0.0880 0.0880 0.2783 0.2783 1.2686 1.2686 1.3467 1.3467 1.5125 1.5125 2.0091 2.0091 2.3223 2.3223 2.3698 2.3698 2.8939 2.8939 3.3299 3.3299 3.5062 3.5062 3.5470 3.5470 3.9541 3.9541 4.3165 4.3165 4.9969 4.9969 7.3009 7.3009 13.7590 13.7590 14.7712 14.7712 16.1772 16.1772 k = 0.4545 0.3332 0.1061 ( 2968 PWs) bands (ev): -15.2189 -15.2189 -14.9467 -14.9467 -0.9105 -0.9105 -0.3049 -0.3049 0.0856 0.0856 0.2786 0.2786 1.2629 1.2629 1.3476 1.3476 1.5271 1.5271 1.9988 1.9988 2.3201 2.3201 2.3611 2.3611 2.8886 2.8886 3.3185 3.3185 3.4758 3.4758 3.5590 3.5590 3.9691 3.9691 4.3700 4.3700 4.9997 4.9997 7.3249 7.3249 13.7570 13.7570 14.6792 14.6792 16.1301 16.1301 k = 0.4488 0.3452 0.1193 ( 2970 PWs) bands (ev): -15.2166 -15.2166 -14.9475 -14.9475 -0.9111 -0.9111 -0.3055 -0.3055 0.0829 0.0829 0.2789 0.2789 1.2573 1.2573 1.3494 1.3494 1.5413 1.5413 1.9879 1.9879 2.3166 2.3166 2.3526 2.3526 2.8828 2.8828 3.2918 3.2918 3.4621 3.4621 3.5739 3.5739 3.9855 3.9855 4.4216 4.4216 5.0031 5.0031 7.3523 7.3523 13.7477 13.7477 14.5829 14.5829 16.0902 16.0902 k = 0.4431 0.3572 0.1326 ( 2966 PWs) bands (ev): -15.2141 -15.2141 -14.9483 -14.9483 -0.9118 -0.9118 -0.3061 -0.3061 0.0799 0.0799 0.2790 0.2790 1.2521 1.2521 1.3521 1.3521 1.5547 1.5547 1.9768 1.9768 2.3107 2.3107 2.3457 2.3457 2.8764 2.8764 3.2538 3.2538 3.4620 3.4620 3.5912 3.5912 4.0031 4.0031 4.4712 4.4712 5.0069 5.0069 7.3832 7.3832 13.7266 13.7266 14.4888 14.4888 16.0574 16.0574 k = 0.4374 0.3692 0.1458 ( 2962 PWs) bands (ev): -15.2113 -15.2113 -14.9492 -14.9492 -0.9126 -0.9126 -0.3068 -0.3068 0.0767 0.0767 0.2790 0.2790 1.2475 1.2475 1.3554 1.3554 1.5671 1.5671 1.9656 1.9656 2.3015 2.3015 2.3413 2.3413 2.8691 2.8691 3.2108 3.2108 3.4691 3.4691 3.6109 3.6109 4.0219 4.0219 4.5186 4.5186 5.0115 5.0115 7.4175 7.4175 13.6872 13.6872 14.4050 14.4050 16.0312 16.0312 k = 0.4317 0.3812 0.1591 ( 2958 PWs) bands (ev): -15.2083 -15.2083 -14.9503 -14.9503 -0.9135 -0.9135 -0.3075 -0.3075 0.0733 0.0733 0.2788 0.2788 1.2434 1.2434 1.3593 1.3593 1.5783 1.5783 1.9548 1.9548 2.2893 2.2893 2.3394 2.3394 2.8608 2.8608 3.1671 3.1671 3.4797 3.4797 3.6327 3.6327 4.0416 4.0416 4.5636 4.5636 5.0166 5.0166 7.4553 7.4553 13.6234 13.6234 14.3392 14.3392 16.0106 16.0106 k = 0.4261 0.3931 0.1724 ( 2950 PWs) bands (ev): -15.2050 -15.2050 -14.9514 -14.9514 -0.9145 -0.9145 -0.3082 -0.3082 0.0696 0.0696 0.2784 0.2784 1.2399 1.2399 1.3637 1.3637 1.5879 1.5879 1.9446 1.9446 2.2746 2.2746 2.3392 2.3392 2.8511 2.8511 3.1251 3.1251 3.4920 3.4920 3.6566 3.6566 4.0620 4.0620 4.6061 4.6061 5.0226 5.0226 7.4966 7.4966 13.5324 13.5324 14.2957 14.2957 15.9947 15.9947 k = 0.4204 0.4051 0.1856 ( 2950 PWs) bands (ev): -15.2015 -15.2015 -14.9527 -14.9527 -0.9155 -0.9155 -0.3089 -0.3089 0.0658 0.0658 0.2776 0.2776 1.2370 1.2370 1.3686 1.3686 1.5958 1.5958 1.9352 1.9352 2.2582 2.2582 2.3403 2.3403 2.8395 2.8395 3.0864 3.0864 3.5052 3.5052 3.6822 3.6822 4.0831 4.0831 4.6461 4.6461 5.0294 5.0294 7.5415 7.5415 13.4170 13.4170 14.2730 14.2730 15.9829 15.9829 k = 0.4147 0.4171 0.1989 ( 2954 PWs) bands (ev): -15.1978 -15.1978 -14.9541 -14.9541 -0.9166 -0.9166 -0.3097 -0.3097 0.0618 0.0618 0.2766 0.2766 1.2347 1.2347 1.3738 1.3738 1.6019 1.6019 1.9268 1.9268 2.2403 2.2403 2.3423 2.3423 2.8255 2.8255 3.0521 3.0521 3.5189 3.5189 3.7093 3.7093 4.1046 4.1046 4.6833 4.6833 5.0371 5.0371 7.5899 7.5899 13.2826 13.2826 14.2666 14.2666 15.9743 15.9743 k = 0.4090 0.4291 0.2121 ( 2950 PWs) bands (ev): -15.1939 -15.1939 -14.9555 -14.9555 -0.9177 -0.9177 -0.3104 -0.3104 0.0578 0.0578 0.2753 0.2753 1.2328 1.2328 1.3792 1.3792 1.6060 1.6060 1.9196 1.9196 2.2212 2.2212 2.3452 2.3452 2.8088 2.8088 3.0232 3.0232 3.5328 3.5328 3.7376 3.7376 4.1264 4.1264 4.7178 4.7178 5.0459 5.0459 7.6419 7.6419 13.1349 13.1349 14.2713 14.2713 15.9683 15.9683 k = 0.4033 0.4410 0.2254 ( 2954 PWs) bands (ev): -15.1898 -15.1898 -14.9571 -14.9571 -0.9190 -0.9190 -0.3112 -0.3112 0.0536 0.0536 0.2737 0.2737 1.2313 1.2313 1.3849 1.3849 1.6084 1.6084 1.9135 1.9135 2.2012 2.2012 2.3489 2.3489 2.7893 2.7893 3.0000 3.0000 3.5469 3.5469 3.7668 3.7668 4.1484 4.1484 4.7495 4.7495 5.0558 5.0558 7.6973 7.6973 12.9783 12.9783 14.2832 14.2832 15.9644 15.9644 k = 0.3976 0.4530 0.2387 ( 2950 PWs) bands (ev): -15.1855 -15.1855 -14.9589 -14.9589 -0.9203 -0.9203 -0.3118 -0.3118 0.0494 0.0494 0.2717 0.2717 1.2302 1.2302 1.3905 1.3905 1.6092 1.6092 1.9082 1.9082 2.1803 2.1803 2.3532 2.3532 2.7676 2.7676 2.9822 2.9822 3.5610 3.5610 3.7967 3.7967 4.1705 4.1705 4.7784 4.7784 5.0670 5.0670 7.7561 7.7561 12.8159 12.8159 14.2994 14.2994 15.9619 15.9619 k = 0.3919 0.4650 0.2519 ( 2954 PWs) bands (ev): -15.1810 -15.1810 -14.9607 -14.9607 -0.9217 -0.9217 -0.3125 -0.3125 0.0452 0.0452 0.2694 0.2694 1.2292 1.2292 1.3960 1.3960 1.6087 1.6087 1.9035 1.9035 2.1590 2.1590 2.3581 2.3581 2.7446 2.7446 2.9691 2.9691 3.5751 3.5751 3.8272 3.8272 4.1925 4.1925 4.8044 4.8044 5.0796 5.0796 7.8184 7.8184 12.6500 12.6500 14.3176 14.3176 15.9601 15.9601 k = 0.3862 0.4770 0.2652 ( 2964 PWs) bands (ev): -15.1764 -15.1764 -14.9627 -14.9627 -0.9232 -0.9232 -0.3130 -0.3130 0.0411 0.0411 0.2667 0.2667 1.2283 1.2283 1.4012 1.4012 1.6075 1.6075 1.8989 1.8989 2.1375 2.1375 2.3634 2.3634 2.7213 2.7213 2.9600 2.9600 3.5891 3.5891 3.8579 3.8579 4.2143 4.2143 4.8277 4.8277 5.0936 5.0936 7.8839 7.8839 12.4821 12.4821 14.3361 14.3361 15.9581 15.9581 k = 0.3806 0.4890 0.2784 ( 2964 PWs) bands (ev): -15.1716 -15.1716 -14.9648 -14.9648 -0.9247 -0.9247 -0.3135 -0.3135 0.0371 0.0371 0.2637 0.2637 1.2274 1.2274 1.4059 1.4059 1.6060 1.6060 1.8937 1.8937 2.1165 2.1165 2.3689 2.3689 2.6986 2.6986 2.9538 2.9538 3.6029 3.6029 3.8888 3.8888 4.2359 4.2359 4.8481 4.8481 5.1094 5.1094 7.9527 7.9527 12.3134 12.3134 14.3530 14.3530 15.9532 15.9532 k = 0.3749 0.5009 0.2917 ( 2952 PWs) bands (ev): -15.1666 -15.1666 -14.9670 -14.9670 -0.9263 -0.9263 -0.3139 -0.3139 0.0331 0.0331 0.2604 0.2604 1.2265 1.2265 1.4097 1.4097 1.6050 1.6050 1.8872 1.8872 2.0966 2.0966 2.3745 2.3745 2.6774 2.6774 2.9500 2.9500 3.6163 3.6163 3.9197 3.9197 4.2571 4.2571 4.8658 4.8658 5.1269 5.1269 8.0245 8.0245 12.1449 12.1449 14.3666 14.3666 15.9374 15.9374 k = 0.3692 0.5129 0.3050 ( 2952 PWs) bands (ev): -15.1615 -15.1615 -14.9694 -14.9694 -0.9280 -0.9280 -0.3141 -0.3141 0.0294 0.0294 0.2568 0.2568 1.2253 1.2253 1.4125 1.4125 1.6048 1.6048 1.8786 1.8786 2.0786 2.0786 2.3799 2.3799 2.6581 2.6581 2.9480 2.9480 3.6293 3.6293 3.9504 3.9504 4.2777 4.2777 4.8808 4.8808 5.1463 5.1463 8.0992 8.0992 11.9772 11.9772 14.3750 14.3750 15.8841 15.8841 k = 0.3635 0.5249 0.3182 ( 2952 PWs) bands (ev): -15.1563 -15.1563 -14.9719 -14.9719 -0.9298 -0.9298 -0.3142 -0.3142 0.0258 0.0258 0.2529 0.2529 1.2239 1.2239 1.4141 1.4141 1.6060 1.6060 1.8673 1.8673 2.0632 2.0632 2.3847 2.3847 2.6411 2.6411 2.9475 2.9475 3.6417 3.6417 3.9808 3.9808 4.2979 4.2979 4.8931 4.8931 5.1677 5.1677 8.1768 8.1768 11.8111 11.8111 14.3761 14.3761 15.7828 15.7828 k = 0.3578 0.5369 0.3315 ( 2956 PWs) bands (ev): -15.1510 -15.1510 -14.9746 -14.9746 -0.9316 -0.9316 -0.3141 -0.3141 0.0224 0.0224 0.2487 0.2487 1.2222 1.2222 1.4143 1.4143 1.6089 1.6089 1.8527 1.8527 2.0510 2.0510 2.3888 2.3888 2.6267 2.6267 2.9482 2.9482 3.6534 3.6534 4.0109 4.0109 4.3173 4.3173 4.9029 4.9029 5.1912 5.1912 8.2571 8.2571 11.6470 11.6470 14.3674 14.3674 15.6695 15.6695 k = 0.3521 0.5488 0.3447 ( 2956 PWs) bands (ev): -15.1456 -15.1456 -14.9774 -14.9774 -0.9335 -0.9335 -0.3139 -0.3139 0.0194 0.0194 0.2444 0.2444 1.2202 1.2202 1.4133 1.4133 1.6136 1.6136 1.8349 1.8349 2.0420 2.0420 2.3918 2.3918 2.6150 2.6150 2.9499 2.9499 3.6642 3.6642 4.0404 4.0404 4.3361 4.3361 4.9103 4.9103 5.2168 5.2168 8.3399 8.3399 11.4854 11.4854 14.3465 14.3465 15.5625 15.5625 k = 0.3464 0.5608 0.3580 ( 2950 PWs) bands (ev): -15.1401 -15.1401 -14.9803 -14.9803 -0.9355 -0.9355 -0.3134 -0.3134 0.0165 0.0165 0.2398 0.2398 1.2178 1.2178 1.4110 1.4110 1.6203 1.6203 1.8143 1.8143 2.0362 2.0362 2.3935 2.3935 2.6061 2.6061 2.9524 2.9524 3.6740 3.6740 4.0693 4.0693 4.3540 4.3540 4.9153 4.9153 5.2446 5.2446 8.4250 8.4250 11.3270 11.3270 14.3113 14.3113 15.4681 15.4681 k = 0.3407 0.5728 0.3713 ( 2958 PWs) bands (ev): -15.1345 -15.1345 -14.9834 -14.9834 -0.9376 -0.9376 -0.3127 -0.3127 0.0140 0.0140 0.2351 0.2351 1.2150 1.2150 1.4078 1.4078 1.6287 1.6287 1.7914 1.7914 2.0329 2.0329 2.3937 2.3937 2.5998 2.5998 2.9555 2.9555 3.6827 3.6827 4.0976 4.0976 4.3711 4.3711 4.9179 4.9179 5.2745 5.2745 8.5122 8.5122 11.1720 11.1720 14.2604 14.2604 15.3885 15.3885 k = 0.3351 0.5848 0.3845 ( 2960 PWs) bands (ev): -15.1288 -15.1288 -14.9866 -14.9866 -0.9397 -0.9397 -0.3117 -0.3117 0.0119 0.0119 0.2302 0.2302 1.2119 1.2119 1.4038 1.4038 1.6387 1.6387 1.7671 1.7671 2.0317 2.0317 2.3923 2.3923 2.5961 2.5961 2.9591 2.9591 3.6902 3.6902 4.1250 4.1250 4.3873 4.3873 4.9184 4.9184 5.3066 5.3066 8.6014 8.6014 11.0210 11.0210 14.1941 14.1941 15.3238 15.3238 k = 0.3294 0.5967 0.3978 ( 2962 PWs) bands (ev): -15.1231 -15.1231 -14.9900 -14.9900 -0.9419 -0.9419 -0.3104 -0.3104 0.0100 0.0100 0.2253 0.2253 1.2085 1.2085 1.3993 1.3993 1.6502 1.6502 1.7420 1.7420 2.0321 2.0321 2.3896 2.3896 2.5944 2.5944 2.9632 2.9632 3.6963 3.6963 4.1516 4.1516 4.4025 4.4025 4.9168 4.9168 5.3408 5.3408 8.6923 8.6923 10.8743 10.8743 14.1141 14.1141 15.2723 15.2723 k = 0.3237 0.6087 0.4110 ( 2950 PWs) bands (ev): -15.1174 -15.1174 -14.9936 -14.9936 -0.9443 -0.9443 -0.3088 -0.3088 0.0086 0.0086 0.2203 0.2203 1.2049 1.2049 1.3946 1.3946 1.6628 1.6628 1.7166 1.7166 2.0339 2.0339 2.3857 2.3857 2.5945 2.5945 2.9675 2.9675 3.7010 3.7010 4.1773 4.1773 4.4167 4.4167 4.9132 4.9132 5.3768 5.3768 8.7845 8.7845 10.7327 10.7327 14.0231 14.0231 15.2314 15.2314 k = 0.3180 0.6207 0.4243 ( 2954 PWs) bands (ev): -15.1116 -15.1116 -14.9973 -14.9973 -0.9467 -0.9467 -0.3069 -0.3069 0.0075 0.0075 0.2153 0.2153 1.2010 1.2010 1.3897 1.3897 1.6764 1.6764 1.6914 1.6914 2.0366 2.0366 2.3808 2.3808 2.5958 2.5958 2.9721 2.9721 3.7040 3.7040 4.2019 4.2019 4.4298 4.4298 4.9077 4.9077 5.4145 5.4145 8.8779 8.8779 10.5964 10.5964 13.9242 13.9242 15.1977 15.1977 k = 0.3123 0.6327 0.4375 ( 2946 PWs) bands (ev): -15.1058 -15.1058 -15.0011 -15.0011 -0.9491 -0.9491 -0.3047 -0.3047 0.0068 0.0068 0.2104 0.2104 1.1971 1.1971 1.3849 1.3849 1.6666 1.6666 1.6908 1.6908 2.0401 2.0401 2.3752 2.3752 2.5979 2.5979 2.9767 2.9767 3.7055 3.7055 4.2255 4.2255 4.4418 4.4418 4.9003 4.9003 5.4536 5.4536 8.9721 8.9721 10.4661 10.4661 13.8205 13.8205 15.1682 15.1682 k = 0.3066 0.6447 0.4508 ( 2946 PWs) bands (ev): -15.1000 -15.1000 -15.0051 -15.0051 -0.9517 -0.9517 -0.3021 -0.3021 0.0066 0.0066 0.2055 0.2055 1.1932 1.1932 1.3802 1.3802 1.6426 1.6426 1.7059 1.7059 2.0443 2.0443 2.3690 2.3690 2.6005 2.6005 2.9814 2.9814 3.7053 3.7053 4.2479 4.2479 4.4528 4.4528 4.8912 4.8912 5.4937 5.4937 9.0665 9.0665 10.3426 10.3426 13.7145 13.7145 15.1405 15.1405 k = 0.3009 0.6566 0.4641 ( 2938 PWs) bands (ev): -15.0942 -15.0942 -15.0092 -15.0092 -0.9544 -0.9544 -0.2991 -0.2991 0.0067 0.0067 0.2008 0.2008 1.1894 1.1894 1.3756 1.3756 1.6197 1.6197 1.7215 1.7215 2.0491 2.0491 2.3624 2.3624 2.6031 2.6031 2.9860 2.9860 3.7034 3.7034 4.2691 4.2691 4.4625 4.4625 4.8804 4.8804 5.5345 5.5345 9.1606 9.1606 10.2264 10.2264 13.6084 13.6084 15.1125 15.1125 k = 0.2952 0.6686 0.4773 ( 2936 PWs) bands (ev): -15.0884 -15.0884 -15.0135 -15.0135 -0.9572 -0.9572 -0.2958 -0.2958 0.0072 0.0072 0.1963 0.1963 1.1858 1.1858 1.3711 1.3711 1.5980 1.5980 1.7376 1.7376 2.0543 2.0543 2.3557 2.3557 2.6056 2.6056 2.9904 2.9904 3.6998 3.6998 4.2891 4.2891 4.4711 4.4711 4.8681 4.8681 5.5754 5.5754 9.2536 9.2536 10.1187 10.1187 13.5041 13.5041 15.0828 15.0828 k = 0.2896 0.6806 0.4906 ( 2936 PWs) bands (ev): -15.0826 -15.0826 -15.0179 -15.0179 -0.9600 -0.9600 -0.2921 -0.2921 0.0081 0.0081 0.1919 0.1919 1.1825 1.1825 1.3669 1.3669 1.5776 1.5776 1.7541 1.7541 2.0600 2.0600 2.3487 2.3487 2.6077 2.6077 2.9946 2.9946 3.6945 3.6945 4.3078 4.3078 4.4785 4.4785 4.8543 4.8543 5.6159 5.6159 9.3442 9.3442 10.0208 10.0208 13.4029 13.4029 15.0504 15.0504 k = 0.2839 0.6926 0.5038 ( 2936 PWs) bands (ev): -15.0769 -15.0769 -15.0225 -15.0225 -0.9630 -0.9630 -0.2880 -0.2880 0.0095 0.0095 0.1879 0.1879 1.1796 1.1796 1.3628 1.3628 1.5588 1.5588 1.7707 1.7707 2.0660 2.0660 2.3418 2.3418 2.6092 2.6092 2.9984 2.9984 3.6874 3.6874 4.3251 4.3251 4.4847 4.4847 4.8392 4.8392 5.6554 5.6554 9.4302 9.4302 9.9352 9.9352 13.3062 13.3062 15.0145 15.0145 k = 0.2782 0.7045 0.5171 ( 2940 PWs) bands (ev): -15.0712 -15.0712 -15.0272 -15.0272 -0.9661 -0.9661 -0.2836 -0.2836 0.0112 0.0112 0.1841 0.1841 1.1771 1.1771 1.3590 1.3590 1.5417 1.5417 1.7876 1.7876 2.0725 2.0725 2.3347 2.3347 2.6101 2.6101 3.0020 3.0020 3.6786 3.6786 4.3409 4.3409 4.4897 4.4897 4.8227 4.8227 5.6931 5.6931 9.5067 9.5067 9.8666 9.8666 13.2152 13.2152 14.9749 14.9749 k = 0.2782 0.7045 0.5171 ( 2940 PWs) bands (ev): -15.0712 -15.0712 -15.0272 -15.0272 -0.9661 -0.9661 -0.2836 -0.2836 0.0112 0.0112 0.1841 0.1841 1.1771 1.1771 1.3590 1.3590 1.5417 1.5417 1.7876 1.7876 2.0725 2.0725 2.3347 2.3347 2.6101 2.6101 3.0020 3.0020 3.6786 3.6786 4.3409 4.3409 4.4897 4.4897 4.8227 4.8227 5.6931 5.6931 9.5067 9.5067 9.8666 9.8666 13.2152 13.2152 14.9749 14.9749 k = 0.2608 0.7008 0.5212 ( 2942 PWs) bands (ev): -15.0695 -15.0695 -15.0287 -15.0287 -0.9670 -0.9670 -0.2821 -0.2821 0.0120 0.0120 0.1828 0.1828 1.1757 1.1757 1.3578 1.3578 1.5376 1.5376 1.7936 1.7936 2.0739 2.0739 2.3321 2.3321 2.6110 2.6110 3.0024 3.0024 3.6766 3.6766 4.3458 4.3458 4.4908 4.4908 4.8151 4.8151 5.7052 5.7052 9.5207 9.5207 9.8592 9.8592 13.1816 13.1816 14.9675 14.9675 k = 0.2434 0.6971 0.5253 ( 2940 PWs) bands (ev): -15.0678 -15.0678 -15.0301 -15.0301 -0.9678 -0.9678 -0.2805 -0.2805 0.0132 0.0132 0.1810 0.1810 1.1727 1.1727 1.3563 1.3563 1.5355 1.5355 1.8007 1.8007 2.0741 2.0741 2.3285 2.3285 2.6136 2.6136 3.0018 3.0018 3.6765 3.6765 4.3512 4.3512 4.4915 4.4915 4.8035 4.8035 5.7186 5.7186 9.5186 9.5186 9.8738 9.8738 13.1355 13.1355 14.9707 14.9707 k = 0.2260 0.6934 0.5294 ( 2944 PWs) bands (ev): -15.0662 -15.0662 -15.0315 -15.0315 -0.9685 -0.9685 -0.2787 -0.2787 0.0147 0.0147 0.1788 0.1788 1.1681 1.1681 1.3547 1.3547 1.5354 1.5354 1.8089 1.8089 2.0731 2.0731 2.3241 2.3241 2.6176 2.6176 3.0001 3.0001 3.6783 3.6783 4.3570 4.3570 4.4916 4.4916 4.7883 4.7883 5.7329 5.7329 9.5024 9.5024 9.9080 9.9080 13.0784 13.0784 14.9836 14.9836 k = 0.2086 0.6897 0.5335 ( 2943 PWs) bands (ev): -15.0646 -15.0646 -15.0329 -15.0329 -0.9691 -0.9691 -0.2769 -0.2769 0.0166 0.0166 0.1761 0.1761 1.1622 1.1622 1.3533 1.3533 1.5370 1.5370 1.8178 1.8178 2.0710 2.0710 2.3191 2.3191 2.6229 2.6229 2.9975 2.9975 3.6820 3.6820 4.3631 4.3631 4.4912 4.4912 4.7702 4.7702 5.7477 5.7477 9.4775 9.4775 9.9562 9.9562 13.0120 13.0120 15.0049 15.0049 k = 0.1913 0.6860 0.5376 ( 2944 PWs) bands (ev): -15.0631 -15.0631 -15.0342 -15.0342 -0.9695 -0.9695 -0.2751 -0.2751 0.0187 0.0187 0.1731 0.1731 1.1552 1.1552 1.3520 1.3520 1.5401 1.5401 1.8273 1.8273 2.0678 2.0678 2.3138 2.3138 2.6293 2.6293 2.9939 2.9939 3.6875 3.6875 4.3695 4.3695 4.4903 4.4903 4.7498 4.7498 5.7626 5.7626 9.4484 9.4484 10.0134 10.0134 12.9384 12.9384 15.0327 15.0327 k = 0.1739 0.6823 0.5417 ( 2942 PWs) bands (ev): -15.0616 -15.0616 -15.0356 -15.0356 -0.9698 -0.9698 -0.2732 -0.2732 0.0212 0.0212 0.1697 0.1697 1.1473 1.1473 1.3509 1.3509 1.5443 1.5443 1.8372 1.8372 2.0637 2.0637 2.3082 2.3082 2.6367 2.6367 2.9896 2.9896 3.6945 3.6945 4.3761 4.3761 4.4888 4.4888 4.7278 4.7278 5.7773 5.7773 9.4182 9.4182 10.0760 10.0760 12.8597 12.8597 15.0653 15.0653 k = 0.1565 0.6786 0.5458 ( 2944 PWs) bands (ev): -15.0601 -15.0601 -15.0369 -15.0369 -0.9700 -0.9700 -0.2714 -0.2714 0.0239 0.0239 0.1660 0.1660 1.1390 1.1390 1.3500 1.3500 1.5493 1.5493 1.8475 1.8475 2.0586 2.0586 2.3026 2.3026 2.6447 2.6447 2.9845 2.9845 3.7029 3.7029 4.3830 4.3830 4.4867 4.4867 4.7049 4.7049 5.7914 5.7914 9.3887 9.3887 10.1416 10.1416 12.7780 12.7780 15.1010 15.1010 k = 0.1391 0.6749 0.5500 ( 2948 PWs) bands (ev): -15.0587 -15.0587 -15.0381 -15.0381 -0.9701 -0.9701 -0.2697 -0.2697 0.0267 0.0267 0.1622 0.1622 1.1306 1.1306 1.3494 1.3494 1.5547 1.5547 1.8579 1.8579 2.0528 2.0528 2.2971 2.2971 2.6531 2.6531 2.9790 2.9790 3.7123 3.7123 4.3898 4.3898 4.4841 4.4841 4.6818 4.6818 5.8047 5.8047 9.3609 9.3609 10.2083 10.2083 12.6955 12.6955 15.1379 15.1379 k = 0.1217 0.6712 0.5541 ( 2951 PWs) bands (ev): -15.0574 -15.0574 -15.0394 -15.0394 -0.9701 -0.9701 -0.2681 -0.2681 0.0297 0.0297 0.1582 0.1582 1.1224 1.1224 1.3489 1.3489 1.5603 1.5603 1.8682 1.8682 2.0464 2.0464 2.2918 2.2918 2.6616 2.6616 2.9731 2.9731 3.7223 3.7223 4.3967 4.3967 4.4809 4.4809 4.6593 4.6593 5.8169 5.8169 9.3355 9.3355 10.2744 10.2744 12.6142 12.6142 15.1747 15.1747 k = 0.1043 0.6674 0.5582 ( 2955 PWs) bands (ev): -15.0561 -15.0561 -15.0406 -15.0406 -0.9700 -0.9700 -0.2666 -0.2666 0.0326 0.0326 0.1542 0.1542 1.1148 1.1148 1.3486 1.3486 1.5657 1.5657 1.8784 1.8784 2.0396 2.0396 2.2870 2.2870 2.6700 2.6700 2.9671 2.9671 3.7326 3.7326 4.4035 4.4035 4.4773 4.4773 4.6379 4.6379 5.8278 5.8278 9.3129 9.3129 10.3381 10.3381 12.5364 12.5364 15.2097 15.2097 k = 0.0869 0.6637 0.5623 ( 2956 PWs) bands (ev): -15.0548 -15.0548 -15.0418 -15.0418 -0.9699 -0.9699 -0.2653 -0.2653 0.0355 0.0355 0.1505 0.1505 1.1079 1.1079 1.3485 1.3485 1.5706 1.5706 1.8882 1.8882 2.0326 2.0326 2.2827 2.2827 2.6780 2.6780 2.9612 2.9612 3.7426 3.7426 4.4101 4.4101 4.4732 4.4732 4.6184 4.6184 5.8374 5.8374 9.2934 9.2934 10.3977 10.3977 12.4643 12.4643 15.2419 15.2419 k = 0.0695 0.6600 0.5664 ( 2951 PWs) bands (ev): -15.0535 -15.0535 -15.0430 -15.0430 -0.9698 -0.9698 -0.2642 -0.2642 0.0382 0.0382 0.1470 0.1470 1.1020 1.1020 1.3484 1.3484 1.5750 1.5750 1.8974 1.8974 2.0257 2.0257 2.2791 2.2791 2.6852 2.6852 2.9558 2.9558 3.7518 3.7518 4.4164 4.4164 4.4687 4.4687 4.6015 4.6015 5.8453 5.8453 9.2772 9.2772 10.4510 10.4510 12.4003 12.4003 15.2700 15.2700 k = 0.0522 0.6563 0.5705 ( 2953 PWs) bands (ev): -15.0524 -15.0524 -15.0441 -15.0441 -0.9697 -0.9697 -0.2633 -0.2633 0.0405 0.0405 0.1440 0.1440 1.0972 1.0972 1.3483 1.3483 1.5786 1.5786 1.9055 1.9055 2.0193 2.0193 2.2761 2.2761 2.6913 2.6913 2.9511 2.9511 3.7597 3.7597 4.4221 4.4221 4.4642 4.4642 4.5877 4.5877 5.8516 5.8516 9.2644 9.2644 10.4958 10.4958 12.3468 12.3468 15.2929 15.2929 k = 0.0348 0.6526 0.5746 ( 2948 PWs) bands (ev): -15.0513 -15.0513 -15.0451 -15.0451 -0.9696 -0.9696 -0.2626 -0.2626 0.0423 0.0423 0.1418 0.1418 1.0937 1.0937 1.3483 1.3483 1.5812 1.5812 1.9121 1.9121 2.0140 2.0140 2.2740 2.2740 2.6959 2.6959 2.9474 2.9474 3.7658 3.7658 4.4272 4.4272 4.4600 4.4600 4.5775 4.5775 5.8561 5.8561 9.2553 9.2553 10.5299 10.5299 12.3064 12.3064 15.3100 15.3100 k = 0.0174 0.6489 0.5787 ( 2952 PWs) bands (ev): -15.0504 -15.0504 -15.0460 -15.0460 -0.9695 -0.9695 -0.2622 -0.2622 0.0434 0.0434 0.1403 0.1403 1.0915 1.0915 1.3483 1.3483 1.5828 1.5828 1.9165 1.9165 2.0103 2.0103 2.2727 2.2727 2.6988 2.6988 2.9451 2.9451 3.7696 3.7696 4.4309 4.4309 4.4567 4.4567 4.5712 4.5712 5.8589 5.8589 9.2498 9.2498 10.5514 10.5514 12.2811 12.2811 15.3204 15.3204 k = 0.0000 0.6452 0.5828 ( 2946 PWs) bands (ev): -15.0501 -15.0501 -15.0463 -15.0463 -0.9695 -0.9695 -0.2621 -0.2621 0.0438 0.0438 0.1398 0.1398 1.0908 1.0908 1.3483 1.3483 1.5834 1.5834 1.9180 1.9180 2.0090 2.0090 2.2722 2.2722 2.6998 2.6998 2.9444 2.9444 3.7709 3.7709 4.4323 4.4323 4.4554 4.4554 4.5691 4.5691 5.8598 5.8598 9.2479 9.2479 10.5587 10.5587 12.2725 12.2725 15.3240 15.3240 k = 0.0000 0.6452 0.5828 ( 2946 PWs) bands (ev): -15.0501 -15.0501 -15.0463 -15.0463 -0.9695 -0.9695 -0.2621 -0.2621 0.0438 0.0438 0.1398 0.1398 1.0908 1.0908 1.3483 1.3483 1.5834 1.5834 1.9180 1.9180 2.0090 2.0090 2.2722 2.2722 2.6998 2.6998 2.9444 2.9444 3.7709 3.7709 4.4323 4.4323 4.4554 4.4554 4.5691 4.5691 5.8598 5.8598 9.2479 9.2479 10.5587 10.5587 12.2725 12.2725 15.3240 15.3240 k = 0.0058 0.6329 0.5964 ( 2946 PWs) bands (ev): -15.0500 -15.0500 -15.0463 -15.0463 -0.9695 -0.9695 -0.2623 -0.2623 0.0438 0.0438 0.1405 0.1405 1.0909 1.0909 1.3489 1.3489 1.5837 1.5837 1.9177 1.9177 2.0097 2.0097 2.2725 2.2725 2.7003 2.7003 2.9443 2.9443 3.7704 3.7704 4.4312 4.4312 4.4497 4.4497 4.5739 4.5739 5.8600 5.8600 9.2493 9.2493 10.5591 10.5591 12.2745 12.2745 15.3227 15.3227 k = 0.0116 0.6207 0.6099 ( 2944 PWs) bands (ev): -15.0500 -15.0500 -15.0462 -15.0462 -0.9695 -0.9695 -0.2628 -0.2628 0.0439 0.0439 0.1424 0.1424 1.0913 1.0913 1.3509 1.3509 1.5845 1.5845 1.9166 1.9166 2.0118 2.0118 2.2733 2.2733 2.7017 2.7017 2.9442 2.9442 3.7690 3.7690 4.4249 4.4249 4.4380 4.4380 4.5857 4.5857 5.8604 5.8604 9.2535 9.2535 10.5604 10.5604 12.2803 12.2803 15.3187 15.3187 k = 0.0174 0.6085 0.6235 ( 2948 PWs) bands (ev): -15.0499 -15.0499 -15.0461 -15.0461 -0.9695 -0.9695 -0.2637 -0.2637 0.0440 0.0440 0.1455 0.1455 1.0918 1.0918 1.3541 1.3541 1.5859 1.5859 1.9148 1.9148 2.0152 2.0152 2.2747 2.2747 2.7042 2.7042 2.9440 2.9440 3.7667 3.7667 4.4056 4.4056 4.4320 4.4320 4.6007 4.6007 5.8612 5.8612 9.2604 9.2604 10.5625 10.5625 12.2900 12.2900 15.3111 15.3111 k = 0.0233 0.5962 0.6370 ( 2950 PWs) bands (ev): -15.0497 -15.0497 -15.0460 -15.0460 -0.9696 -0.9696 -0.2648 -0.2648 0.0442 0.0442 0.1498 0.1498 1.0925 1.0925 1.3587 1.3587 1.5878 1.5878 1.9126 1.9126 2.0197 2.0197 2.2766 2.2766 2.7075 2.7075 2.9437 2.9437 3.7635 3.7635 4.3794 4.3794 4.4282 4.4282 4.6164 4.6164 5.8622 5.8622 9.2700 9.2700 10.5655 10.5655 12.3035 12.3035 15.2986 15.2986 k = 0.0291 0.5840 0.6506 ( 2948 PWs) bands (ev): -15.0495 -15.0495 -15.0458 -15.0458 -0.9696 -0.9696 -0.2663 -0.2663 0.0445 0.0445 0.1552 0.1552 1.0934 1.0934 1.3645 1.3645 1.5902 1.5902 1.9100 1.9100 2.0252 2.0252 2.2792 2.2792 2.7119 2.7119 2.9434 2.9434 3.7593 3.7593 4.3500 4.3500 4.4241 4.4241 4.6316 4.6316 5.8634 5.8634 9.2822 9.2822 10.5694 10.5694 12.3207 12.3207 15.2784 15.2784 k = 0.0349 0.5717 0.6641 ( 2952 PWs) bands (ev): -15.0493 -15.0493 -15.0456 -15.0456 -0.9696 -0.9696 -0.2681 -0.2681 0.0448 0.0448 0.1617 0.1617 1.0944 1.0944 1.3718 1.3718 1.5932 1.5932 1.9073 1.9073 2.0316 2.0316 2.2825 2.2825 2.7171 2.7171 2.9429 2.9429 3.7544 3.7544 4.3185 4.3185 4.4194 4.4194 4.6458 4.6458 5.8648 5.8648 9.2968 9.2968 10.5743 10.5743 12.3416 12.3416 15.2464 15.2464 k = 0.0407 0.5595 0.6777 ( 2950 PWs) bands (ev): -15.0490 -15.0490 -15.0453 -15.0453 -0.9697 -0.9697 -0.2701 -0.2701 0.0452 0.0452 0.1691 0.1691 1.0955 1.0955 1.3803 1.3803 1.5966 1.5966 1.9044 1.9044 2.0386 2.0386 2.2866 2.2866 2.7233 2.7233 2.9425 2.9425 3.7486 3.7486 4.2854 4.2854 4.4140 4.4140 4.6585 4.6585 5.8664 5.8664 9.3137 9.3137 10.5801 10.5801 12.3661 12.3661 15.1973 15.1973 k = 0.0465 0.5472 0.6912 ( 2946 PWs) bands (ev): -15.0487 -15.0487 -15.0450 -15.0450 -0.9697 -0.9697 -0.2724 -0.2724 0.0457 0.0457 0.1774 0.1774 1.0967 1.0967 1.3903 1.3903 1.6005 1.6005 1.9014 1.9014 2.0463 2.0463 2.2915 2.2915 2.7303 2.7303 2.9420 2.9420 3.7420 3.7420 4.2511 4.2511 4.4079 4.4079 4.6696 4.6696 5.8680 5.8680 9.3327 9.3327 10.5870 10.5870 12.3940 12.3940 15.1261 15.1261 k = 0.0523 0.5350 0.7048 ( 2952 PWs) bands (ev): -15.0484 -15.0484 -15.0446 -15.0446 -0.9698 -0.9698 -0.2749 -0.2749 0.0463 0.0463 0.1864 0.1864 1.0979 1.0979 1.4015 1.4015 1.6047 1.6047 1.8986 1.8986 2.0546 2.0546 2.2973 2.2973 2.7381 2.7381 2.9416 2.9416 3.7348 3.7348 4.2157 4.2157 4.4013 4.4013 4.6789 4.6789 5.8697 5.8697 9.3537 9.3537 10.5949 10.5949 12.4252 12.4252 15.0319 15.0319 k = 0.0581 0.5227 0.7183 ( 2952 PWs) bands (ev): -15.0480 -15.0480 -15.0442 -15.0442 -0.9698 -0.9698 -0.2776 -0.2776 0.0469 0.0469 0.1960 0.1960 1.0991 1.0991 1.4142 1.4142 1.6093 1.6093 1.8958 1.8958 2.0633 2.0633 2.3040 2.3040 2.7467 2.7467 2.9412 2.9412 3.7269 3.7269 4.1795 4.1795 4.3940 4.3940 4.6863 4.6863 5.8714 5.8714 9.3764 9.3764 10.6040 10.6040 12.4594 12.4594 14.9179 14.9179 k = 0.0640 0.5105 0.7319 ( 2948 PWs) bands (ev): -15.0476 -15.0476 -15.0438 -15.0438 -0.9699 -0.9699 -0.2804 -0.2804 0.0476 0.0476 0.2063 0.2063 1.1003 1.1003 1.4281 1.4281 1.6143 1.6143 1.8933 1.8933 2.0725 2.0725 2.3117 2.3117 2.7560 2.7560 2.9409 2.9409 3.7184 3.7184 4.1426 4.1426 4.3862 4.3862 4.6919 4.6919 5.8729 5.8729 9.4005 9.4005 10.6142 10.6142 12.4967 12.4967 14.7892 14.7892 k = 0.0698 0.4983 0.7455 ( 2950 PWs) bands (ev): -15.0471 -15.0471 -15.0433 -15.0433 -0.9699 -0.9699 -0.2834 -0.2834 0.0484 0.0484 0.2170 0.2170 1.1016 1.1016 1.4432 1.4432 1.6194 1.6194 1.8910 1.8910 2.0822 2.0822 2.3205 2.3205 2.7660 2.7660 2.9409 2.9409 3.7095 3.7095 4.1052 4.1052 4.3779 4.3779 4.6956 4.6956 5.8743 5.8743 9.4259 9.4259 10.6257 10.6257 12.5366 12.5366 14.6503 14.6503 k = 0.0756 0.4860 0.7590 ( 2954 PWs) bands (ev): -15.0466 -15.0466 -15.0429 -15.0429 -0.9700 -0.9700 -0.2865 -0.2865 0.0492 0.0492 0.2280 0.2280 1.1027 1.1027 1.4594 1.4594 1.6248 1.6248 1.8890 1.8890 2.0922 2.0922 2.3304 2.3304 2.7765 2.7765 2.9413 2.9413 3.7001 3.7001 4.0675 4.0675 4.3691 4.3691 4.6973 4.6973 5.8755 5.8755 9.4523 9.4523 10.6384 10.6384 12.5790 12.5790 14.5046 14.5046 k = 0.0814 0.4738 0.7726 ( 2956 PWs) bands (ev): -15.0462 -15.0462 -15.0424 -15.0424 -0.9701 -0.9701 -0.2898 -0.2898 0.0500 0.0500 0.2393 0.2393 1.1038 1.1038 1.4766 1.4766 1.6304 1.6304 1.8874 1.8874 2.1027 2.1027 2.3412 2.3412 2.7874 2.7874 2.9423 2.9423 3.6904 3.6904 4.0295 4.0295 4.3599 4.3599 4.6971 4.6971 5.8763 5.8763 9.4794 9.4794 10.6525 10.6525 12.6236 12.6236 14.3549 14.3549 k = 0.0872 0.4615 0.7861 ( 2956 PWs) bands (ev): -15.0456 -15.0456 -15.0418 -15.0418 -0.9701 -0.9701 -0.2931 -0.2931 0.0508 0.0508 0.2508 0.2508 1.1049 1.1049 1.4945 1.4945 1.6361 1.6361 1.8862 1.8862 2.1138 2.1138 2.3532 2.3532 2.7985 2.7985 2.9442 2.9442 3.6804 3.6804 3.9916 3.9916 4.3502 4.3502 4.6949 4.6949 5.8768 5.8768 9.5071 9.5071 10.6679 10.6679 12.6700 12.6700 14.2032 14.2032 k = 0.0930 0.4493 0.7997 ( 2952 PWs) bands (ev): -15.0451 -15.0451 -15.0413 -15.0413 -0.9702 -0.9702 -0.2965 -0.2965 0.0517 0.0517 0.2623 0.2623 1.1059 1.1059 1.5129 1.5129 1.6420 1.6420 1.8856 1.8856 2.1253 2.1253 2.3660 2.3660 2.8095 2.8095 2.9474 2.9474 3.6703 3.6703 3.9537 3.9537 4.3400 4.3400 4.6907 4.6907 5.8768 5.8768 9.5349 9.5349 10.6847 10.6847 12.7177 12.7177 14.0511 14.0511 k = 0.0988 0.4370 0.8132 ( 2952 PWs) bands (ev): -15.0445 -15.0445 -15.0407 -15.0407 -0.9702 -0.9702 -0.2999 -0.2999 0.0526 0.0526 0.2738 0.2738 1.1068 1.1068 1.5314 1.5314 1.6483 1.6483 1.8856 1.8856 2.1374 2.1374 2.3798 2.3798 2.8201 2.8201 2.9523 2.9523 3.6601 3.6601 3.9162 3.9162 4.3293 4.3293 4.6847 4.6847 5.8764 5.8764 9.5628 9.5628 10.7029 10.7029 12.7660 12.7660 13.9003 13.9003 k = 0.1047 0.4248 0.8268 ( 2952 PWs) bands (ev): -15.0440 -15.0440 -15.0401 -15.0401 -0.9703 -0.9703 -0.3033 -0.3033 0.0534 0.0534 0.2852 0.2852 1.1077 1.1077 1.5494 1.5494 1.6551 1.6551 1.8863 1.8863 2.1502 2.1502 2.3942 2.3942 2.8300 2.8300 2.9594 2.9594 3.6499 3.6499 3.8791 3.8791 4.3182 4.3182 4.6766 4.6766 5.8754 5.8754 9.5904 9.5904 10.7223 10.7223 12.8140 12.8140 13.7526 13.7526 k = 0.1105 0.4126 0.8403 ( 2950 PWs) bands (ev): -15.0434 -15.0434 -15.0395 -15.0395 -0.9703 -0.9703 -0.3068 -0.3068 0.0543 0.0543 0.2964 0.2964 1.1086 1.1086 1.5662 1.5662 1.6627 1.6627 1.8879 1.8879 2.1636 2.1636 2.4092 2.4092 2.8390 2.8390 2.9693 2.9693 3.6395 3.6395 3.8426 3.8426 4.3066 4.3066 4.6667 4.6667 5.8738 5.8738 9.6177 9.6177 10.7431 10.7431 12.8599 12.8599 13.6102 13.6102 k = 0.1163 0.4003 0.8539 ( 2948 PWs) bands (ev): -15.0428 -15.0428 -15.0389 -15.0389 -0.9703 -0.9703 -0.3103 -0.3103 0.0552 0.0552 0.3073 0.3073 1.1094 1.1094 1.5810 1.5810 1.6716 1.6716 1.8906 1.8906 2.1778 2.1778 2.4245 2.4245 2.8470 2.8470 2.9821 2.9821 3.6291 3.6291 3.8071 3.8071 4.2944 4.2944 4.6549 4.6549 5.8715 5.8715 9.6442 9.6442 10.7650 10.7650 12.9000 12.9000 13.4772 13.4772 k = 0.1221 0.3881 0.8674 ( 2952 PWs) bands (ev): -15.0422 -15.0422 -15.0383 -15.0383 -0.9704 -0.9704 -0.3138 -0.3138 0.0561 0.0561 0.3180 0.3180 1.1102 1.1102 1.5933 1.5933 1.6820 1.6820 1.8945 1.8945 2.1927 2.1927 2.4399 2.4399 2.8542 2.8542 2.9981 2.9981 3.6183 3.6183 3.7728 3.7728 4.2816 4.2816 4.6411 4.6411 5.8686 5.8686 9.6700 9.6700 10.7880 10.7880 12.9263 12.9263 13.3621 13.3621 k = 0.1279 0.3758 0.8810 ( 2952 PWs) bands (ev): -15.0416 -15.0416 -15.0377 -15.0377 -0.9704 -0.9704 -0.3172 -0.3172 0.0570 0.0570 0.3282 0.3282 1.1110 1.1110 1.6026 1.6026 1.6937 1.6937 1.8998 1.8998 2.2085 2.2085 2.4550 2.4550 2.8611 2.8611 3.0171 3.0171 3.6071 3.6071 3.7403 3.7403 4.2681 4.2681 4.6255 4.6255 5.8650 5.8650 9.6949 9.6949 10.8118 10.8118 12.9216 12.9216 13.2823 13.2823 k = 0.1337 0.3636 0.8945 ( 2952 PWs) bands (ev): -15.0410 -15.0410 -15.0371 -15.0371 -0.9704 -0.9704 -0.3206 -0.3206 0.0579 0.0579 0.3380 0.3380 1.1117 1.1117 1.6092 1.6092 1.7062 1.7062 1.9067 1.9067 2.2250 2.2250 2.4697 2.4697 2.8680 2.8680 3.0389 3.0389 3.5948 3.5948 3.7102 3.7102 4.2540 4.2540 4.6081 4.6081 5.8607 5.8607 9.7186 9.7186 10.8362 10.8362 12.8689 12.8689 13.2550 13.2550 k = 0.1395 0.3513 0.9081 ( 2946 PWs) bands (ev): -15.0404 -15.0404 -15.0365 -15.0365 -0.9704 -0.9704 -0.3240 -0.3240 0.0589 0.0589 0.3474 0.3474 1.1125 1.1125 1.6134 1.6134 1.7186 1.7186 1.9154 1.9154 2.2423 2.2423 2.4835 2.4835 2.8758 2.8758 3.0633 3.0633 3.5807 3.5807 3.6834 3.6834 4.2391 4.2391 4.5889 4.5889 5.8558 5.8558 9.7413 9.7413 10.8609 10.8609 12.7790 12.7790 13.2696 13.2696 k = 0.1453 0.3391 0.9217 ( 2950 PWs) bands (ev): -15.0398 -15.0398 -15.0359 -15.0359 -0.9705 -0.9705 -0.3273 -0.3273 0.0599 0.0599 0.3562 0.3562 1.1133 1.1133 1.6159 1.6159 1.7300 1.7300 1.9258 1.9258 2.2604 2.2604 2.4961 2.4961 2.8848 2.8848 3.0902 3.0902 3.5639 3.5639 3.6610 3.6610 4.2234 4.2234 4.5678 4.5678 5.8501 5.8501 9.7628 9.7628 10.8856 10.8856 12.6738 12.6738 13.3043 13.3043 k = 0.1512 0.3269 0.9352 ( 2948 PWs) bands (ev): -15.0392 -15.0392 -15.0353 -15.0353 -0.9705 -0.9705 -0.3305 -0.3305 0.0609 0.0609 0.3645 0.3645 1.1141 1.1141 1.6170 1.6170 1.7401 1.7401 1.9380 1.9380 2.2791 2.2791 2.5072 2.5072 2.8955 2.8955 3.1192 3.1192 3.5441 3.5441 3.6435 3.6435 4.2069 4.2069 4.5451 4.5451 5.8438 5.8438 9.7830 9.7830 10.9100 10.9100 12.5654 12.5654 13.3469 13.3469 k = 0.1570 0.3146 0.9488 ( 2944 PWs) bands (ev): -15.0387 -15.0387 -15.0348 -15.0348 -0.9705 -0.9705 -0.3336 -0.3336 0.0620 0.0620 0.3723 0.3723 1.1150 1.1150 1.6170 1.6170 1.7485 1.7485 1.9515 1.9515 2.2983 2.2983 2.5167 2.5167 2.9084 2.9084 3.1502 3.1502 3.5219 3.5219 3.6305 3.6305 4.1894 4.1894 4.5207 4.5207 5.8368 5.8368 9.8019 9.8019 10.9335 10.9335 12.4593 12.4593 13.3923 13.3923 k = 0.1628 0.3024 0.9623 ( 2942 PWs) bands (ev): -15.0381 -15.0381 -15.0342 -15.0342 -0.9705 -0.9705 -0.3367 -0.3367 0.0631 0.0631 0.3795 0.3795 1.1158 1.1158 1.6163 1.6163 1.7552 1.7552 1.9661 1.9661 2.3180 2.3180 2.5244 2.5244 2.9235 2.9235 3.1829 3.1829 3.4982 3.4982 3.6212 3.6212 4.1709 4.1709 4.4946 4.4946 5.8294 5.8294 9.8196 9.8196 10.9557 10.9557 12.3579 12.3579 13.4377 13.4377 k = 0.1686 0.2901 0.9759 ( 2944 PWs) bands (ev): -15.0376 -15.0376 -15.0337 -15.0337 -0.9705 -0.9705 -0.3396 -0.3396 0.0642 0.0642 0.3861 0.3861 1.1167 1.1167 1.6150 1.6150 1.7604 1.7604 1.9812 1.9812 2.3378 2.3378 2.5304 2.5304 2.9410 2.9410 3.2171 3.2171 3.4743 3.4743 3.6148 3.6148 4.1514 4.1514 4.4669 4.4669 5.8215 5.8215 9.8360 9.8360 10.9761 10.9761 12.2629 12.2629 13.4815 13.4815 k = 0.1744 0.2779 0.9894 ( 2936 PWs) bands (ev): -15.0371 -15.0371 -15.0332 -15.0332 -0.9704 -0.9704 -0.3424 -0.3424 0.0654 0.0654 0.3921 0.3921 1.1177 1.1177 1.6132 1.6132 1.7642 1.7642 1.9965 1.9965 2.3577 2.3577 2.5346 2.5346 2.9606 2.9606 3.2524 3.2524 3.4512 3.4512 3.6106 3.6106 4.1309 4.1309 4.4377 4.4377 5.8132 5.8132 9.8511 9.8511 10.9941 10.9941 12.1753 12.1753 13.5227 13.5227 k = 0.1802 0.2656 1.0030 ( 2938 PWs) bands (ev): -15.0366 -15.0366 -15.0327 -15.0327 -0.9704 -0.9704 -0.3450 -0.3450 0.0666 0.0666 0.3976 0.3976 1.1186 1.1186 1.6112 1.6112 1.7669 1.7669 2.0116 2.0116 2.3773 2.3773 2.5373 2.5373 2.9821 2.9821 3.2879 3.2879 3.4300 3.4300 3.6084 3.6084 4.1093 4.1093 4.4071 4.4071 5.8047 5.8047 9.8649 9.8649 11.0093 11.0093 12.0959 12.0959 13.5604 13.5604 k = 0.1860 0.2534 1.0165 ( 2940 PWs) bands (ev): -15.0362 -15.0362 -15.0323 -15.0323 -0.9704 -0.9704 -0.3476 -0.3476 0.0677 0.0677 0.4025 0.4025 1.1196 1.1196 1.6089 1.6089 1.7687 1.7687 2.0260 2.0260 2.3965 2.3965 2.5387 2.5387 3.0050 3.0050 3.3219 3.3219 3.4127 3.4127 3.6081 3.6081 4.0868 4.0868 4.3752 4.3752 5.7961 5.7961 9.8775 9.8775 11.0212 11.0212 12.0253 12.0253 13.5940 13.5940 k = 0.1919 0.2412 1.0301 ( 2940 PWs) bands (ev): -15.0358 -15.0358 -15.0318 -15.0318 -0.9704 -0.9704 -0.3499 -0.3499 0.0689 0.0689 0.4068 0.4068 1.1206 1.1206 1.6066 1.6066 1.7699 1.7699 2.0397 2.0397 2.4150 2.4150 2.5390 2.5390 3.0285 3.0285 3.3476 3.3476 3.4060 3.4060 3.6099 3.6099 4.0632 4.0632 4.3421 4.3421 5.7875 5.7875 9.8889 9.8889 11.0294 11.0294 11.9639 11.9639 13.6230 13.6230 k = 0.1977 0.2289 1.0436 ( 2940 PWs) bands (ev): -15.0354 -15.0354 -15.0314 -15.0314 -0.9704 -0.9704 -0.3521 -0.3521 0.0701 0.0701 0.4107 0.4107 1.1216 1.1216 1.6043 1.6043 1.7704 1.7704 2.0524 2.0524 2.4326 2.4326 2.5386 2.5386 3.0519 3.0519 3.3522 3.3522 3.4225 3.4225 3.6141 3.6141 4.0388 4.0388 4.3079 4.3079 5.7791 5.7791 9.8991 9.8991 11.0339 11.0339 11.9116 11.9116 13.6473 13.6473 k = 0.2035 0.2167 1.0572 ( 2944 PWs) bands (ev): -15.0350 -15.0350 -15.0311 -15.0311 -0.9704 -0.9704 -0.3541 -0.3541 0.0712 0.0712 0.4140 0.4140 1.1225 1.1225 1.6020 1.6020 1.7706 1.7706 2.0640 2.0640 2.4491 2.4491 2.5375 2.5375 3.0741 3.0741 3.3452 3.3452 3.4524 3.4524 3.6214 3.6214 4.0138 4.0138 4.2729 4.2729 5.7710 5.7710 9.9081 9.9081 11.0348 11.0348 11.8684 11.8684 13.6669 13.6669 k = 0.2093 0.2044 1.0707 ( 2946 PWs) bands (ev): -15.0347 -15.0347 -15.0308 -15.0308 -0.9703 -0.9703 -0.3558 -0.3558 0.0722 0.0722 0.4169 0.4169 1.1234 1.1234 1.5999 1.5999 1.7704 1.7704 2.0743 2.0743 2.4643 2.4643 2.5361 2.5361 3.0940 3.0940 3.3379 3.3379 3.4834 3.4834 3.6329 3.6329 3.9883 3.9883 4.2374 4.2374 5.7633 5.7633 9.9160 9.9160 11.0326 11.0326 11.8336 11.8336 13.6821 13.6821 k = 0.2151 0.1922 1.0843 ( 2946 PWs) bands (ev): -15.0344 -15.0344 -15.0305 -15.0305 -0.9703 -0.9703 -0.3574 -0.3574 0.0732 0.0732 0.4193 0.4193 1.1243 1.1243 1.5979 1.5979 1.7701 1.7701 2.0834 2.0834 2.4779 2.4779 2.5344 2.5344 3.1105 3.1105 3.3336 3.3336 3.5113 3.5113 3.6496 3.6496 3.9629 3.9629 4.2016 4.2016 5.7564 5.7564 9.9227 9.9227 11.0279 11.0279 11.8065 11.8065 13.6932 13.6932 k = 0.2209 0.1799 1.0978 ( 2946 PWs) bands (ev): -15.0342 -15.0342 -15.0303 -15.0303 -0.9703 -0.9703 -0.3588 -0.3588 0.0740 0.0740 0.4213 0.4213 1.1250 1.1250 1.5961 1.5961 1.7697 1.7697 2.0911 2.0911 2.4899 2.4899 2.5327 2.5327 3.1230 3.1230 3.3329 3.3329 3.5343 3.5343 3.6718 3.6718 3.9379 3.9379 4.1663 4.1663 5.7502 5.7502 9.9284 9.9284 11.0218 11.0218 11.7860 11.7860 13.7010 13.7010 k = 0.2267 0.1677 1.1114 ( 2938 PWs) bands (ev): -15.0340 -15.0340 -15.0301 -15.0301 -0.9703 -0.9703 -0.3599 -0.3599 0.0747 0.0747 0.4229 0.4229 1.1257 1.1257 1.5947 1.5947 1.7693 1.7693 2.0974 2.0974 2.5002 2.5002 2.5310 2.5310 3.1315 3.1315 3.3353 3.3353 3.5524 3.5524 3.6984 3.6984 3.9140 3.9140 4.1322 4.1322 5.7449 5.7449 9.9329 9.9329 11.0151 11.0151 11.7710 11.7710 13.7062 13.7062 k = 0.2326 0.1554 1.1250 ( 2940 PWs) bands (ev): -15.0339 -15.0339 -15.0299 -15.0299 -0.9703 -0.9703 -0.3607 -0.3607 0.0753 0.0753 0.4241 0.4241 1.1262 1.1262 1.5935 1.5935 1.7689 1.7689 2.1024 2.1024 2.5085 2.5085 2.5293 2.5293 3.1366 3.1366 3.3395 3.3395 3.5663 3.5663 3.7270 3.7270 3.8921 3.8921 4.1008 4.1008 5.7407 5.7407 9.9365 9.9365 11.0088 11.0088 11.7606 11.7606 13.7093 13.7093 k = 0.2384 0.1432 1.1385 ( 2940 PWs) bands (ev): -15.0337 -15.0337 -15.0298 -15.0298 -0.9703 -0.9703 -0.3614 -0.3614 0.0757 0.0757 0.4249 0.4249 1.1266 1.1266 1.5926 1.5926 1.7686 1.7686 2.1059 2.1059 2.5150 2.5150 2.5276 2.5276 3.1393 3.1393 3.3439 3.3439 3.5765 3.5765 3.7541 3.7541 3.8731 3.8731 4.0743 4.0743 5.7376 5.7376 9.9390 9.9390 11.0037 11.0037 11.7538 11.7538 13.7111 13.7111 k = 0.2442 0.1310 1.1521 ( 2934 PWs) bands (ev): -15.0337 -15.0337 -15.0297 -15.0297 -0.9702 -0.9702 -0.3617 -0.3617 0.0760 0.0760 0.4254 0.4254 1.1269 1.1269 1.5921 1.5921 1.7684 1.7684 2.1081 2.1081 2.5199 2.5199 2.5257 2.5257 3.1404 3.1404 3.3472 3.3472 3.5830 3.5830 3.7755 3.7755 3.8586 3.8586 4.0560 4.0560 5.7357 5.7357 9.9405 9.9405 11.0004 11.0004 11.7500 11.7500 13.7120 13.7120 k = 0.2500 0.1187 1.1656 ( 2928 PWs) bands (ev): -15.0337 -15.0337 -15.0297 -15.0297 -0.9702 -0.9702 -0.3618 -0.3618 0.0761 0.0761 0.4256 0.4256 1.1270 1.1270 1.5919 1.5919 1.7683 1.7683 2.1088 2.1088 2.5230 2.5230 2.5235 2.5235 3.1408 3.1408 3.3484 3.3484 3.5852 3.5852 3.7844 3.7844 3.8525 3.8525 4.0493 4.0493 5.7351 5.7351 9.9410 9.9410 10.9993 10.9993 11.7488 11.7488 13.7123 13.7123 k = 0.2500 0.1187 1.1656 ( 2928 PWs) bands (ev): -15.0337 -15.0337 -15.0297 -15.0297 -0.9702 -0.9702 -0.3618 -0.3618 0.0761 0.0761 0.4256 0.4256 1.1270 1.1270 1.5919 1.5919 1.7683 1.7683 2.1088 2.1088 2.5230 2.5230 2.5235 2.5235 3.1408 3.1408 3.3484 3.3484 3.5852 3.5852 3.7844 3.7844 3.8525 3.8525 4.0493 4.0493 5.7351 5.7351 9.9410 9.9410 10.9993 10.9993 11.7488 11.7488 13.7123 13.7123 k = 0.2656 0.1261 1.1574 ( 2931 PWs) bands (ev): -15.0337 -15.0337 -15.0297 -15.0297 -0.9703 -0.9703 -0.3621 -0.3621 0.0767 0.0767 0.4257 0.4257 1.1268 1.1268 1.5857 1.5857 1.7748 1.7748 2.1103 2.1103 2.5024 2.5024 2.5434 2.5434 3.1360 3.1360 3.3510 3.3510 3.5844 3.5844 3.7823 3.7823 3.8547 3.8547 4.0506 4.0506 5.7352 5.7352 9.9413 9.9413 10.9993 10.9993 11.7491 11.7491 13.7119 13.7119 k = 0.2812 0.1336 1.1492 ( 2936 PWs) bands (ev): -15.0338 -15.0338 -15.0296 -15.0296 -0.9706 -0.9706 -0.3629 -0.3629 0.0786 0.0786 0.4262 0.4262 1.1261 1.1261 1.5696 1.5696 1.7920 1.7920 2.1148 2.1148 2.4808 2.4808 2.5625 2.5625 3.1225 3.1225 3.3575 3.3575 3.5820 3.5820 3.7778 3.7778 3.8601 3.8601 4.0543 4.0543 5.7354 5.7354 9.9421 9.9421 10.9995 10.9995 11.7500 11.7500 13.7108 13.7108 k = 0.2969 0.1410 1.1410 ( 2943 PWs) bands (ev): -15.0339 -15.0339 -15.0296 -15.0296 -0.9709 -0.9709 -0.3641 -0.3641 0.0816 0.0816 0.4268 0.4268 1.1249 1.1249 1.5480 1.5480 1.8153 1.8153 2.1225 2.1225 2.4587 2.4587 2.5805 2.5805 3.1026 3.1026 3.3651 3.3651 3.5788 3.5788 3.7729 3.7729 3.8672 3.8672 4.0599 4.0599 5.7358 5.7358 9.9434 9.9434 10.9996 10.9996 11.7515 11.7515 13.7091 13.7091 k = 0.3125 0.1484 1.1328 ( 2942 PWs) bands (ev): -15.0340 -15.0340 -15.0295 -15.0295 -0.9714 -0.9714 -0.3657 -0.3657 0.0857 0.0857 0.4277 0.4277 1.1233 1.1233 1.5241 1.5241 1.8415 1.8415 2.1332 2.1332 2.4363 2.4363 2.5973 2.5973 3.0781 3.0781 3.3709 3.3709 3.5759 3.5759 3.7692 3.7692 3.8750 3.8750 4.0670 4.0670 5.7365 5.7365 9.9449 9.9449 10.9996 10.9996 11.7533 11.7533 13.7073 13.7073 k = 0.3281 0.1558 1.1245 ( 2938 PWs) bands (ev): -15.0341 -15.0341 -15.0295 -15.0295 -0.9719 -0.9719 -0.3677 -0.3677 0.0906 0.0906 0.4288 0.4288 1.1212 1.1212 1.4998 1.4998 1.8683 1.8683 2.1470 2.1470 2.4137 2.4137 2.6128 2.6128 3.0505 3.0505 3.3725 3.3725 3.5746 3.5746 3.7670 3.7670 3.8830 3.8830 4.0753 4.0753 5.7376 5.7376 9.9466 9.9466 10.9995 10.9995 11.7554 11.7554 13.7055 13.7055 k = 0.3438 0.1632 1.1163 ( 2938 PWs) bands (ev): -15.0342 -15.0342 -15.0295 -15.0295 -0.9726 -0.9726 -0.3698 -0.3698 0.0962 0.0962 0.4299 0.4299 1.1186 1.1186 1.4765 1.4765 1.8945 1.8945 2.1637 2.1637 2.3913 2.3913 2.6268 2.6268 3.0209 3.0209 3.3684 3.3684 3.5761 3.5761 3.7664 3.7664 3.8912 3.8912 4.0843 4.0843 5.7391 5.7391 9.9481 9.9481 10.9990 10.9990 11.7578 11.7578 13.7042 13.7042 k = 0.3594 0.1707 1.1081 ( 2943 PWs) bands (ev): -15.0342 -15.0342 -15.0295 -15.0295 -0.9732 -0.9732 -0.3721 -0.3721 0.1022 0.1022 0.4311 0.4311 1.1156 1.1156 1.4547 1.4547 1.9193 1.9193 2.1826 2.1826 2.3695 2.3695 2.6392 2.6392 2.9903 2.9903 3.3583 3.3583 3.5805 3.5805 3.7673 3.7673 3.8994 3.8994 4.0938 4.0938 5.7410 5.7410 9.9495 9.9495 10.9981 10.9981 11.7602 11.7602 13.7037 13.7037 k = 0.3750 0.1781 1.0999 ( 2941 PWs) bands (ev): -15.0342 -15.0342 -15.0296 -15.0296 -0.9738 -0.9738 -0.3743 -0.3743 0.1083 0.1083 0.4323 0.4323 1.1121 1.1121 1.4351 1.4351 1.9425 1.9425 2.2025 2.2025 2.3494 2.3494 2.6501 2.6501 2.9592 2.9592 3.3431 3.3431 3.5872 3.5872 3.7695 3.7695 3.9077 3.9077 4.1036 4.1036 5.7435 5.7435 9.9505 9.9505 10.9968 10.9968 11.7627 11.7627 13.7043 13.7043 k = 0.3906 0.1855 1.0917 ( 2943 PWs) bands (ev): -15.0342 -15.0342 -15.0298 -15.0298 -0.9744 -0.9744 -0.3765 -0.3765 0.1144 0.1144 0.4333 0.4333 1.1083 1.1083 1.4181 1.4181 1.9637 1.9637 2.2207 2.2207 2.3331 2.3331 2.6594 2.6594 2.9285 2.9285 3.3238 3.3238 3.5951 3.5951 3.7725 3.7725 3.9163 3.9163 4.1135 4.1135 5.7465 5.7465 9.9510 9.9510 10.9949 10.9949 11.7653 11.7653 13.7065 13.7065 k = 0.4062 0.1929 1.0835 ( 2943 PWs) bands (ev): -15.0341 -15.0341 -15.0301 -15.0301 -0.9750 -0.9750 -0.3784 -0.3784 0.1201 0.1201 0.4342 0.4342 1.1042 1.1042 1.4038 1.4038 1.9829 1.9829 2.2318 2.2318 2.3250 2.3250 2.6673 2.6673 2.8988 2.8988 3.3016 3.3016 3.6032 3.6032 3.7760 3.7760 3.9252 3.9252 4.1235 4.1235 5.7500 5.7500 9.9509 9.9509 10.9926 10.9926 11.7678 11.7678 13.7103 13.7103 k = 0.4219 0.2003 1.0753 ( 2946 PWs) bands (ev): -15.0339 -15.0339 -15.0304 -15.0304 -0.9754 -0.9754 -0.3802 -0.3802 0.1252 0.1252 0.4348 0.4348 1.0999 1.0999 1.3926 1.3926 2.0002 2.0002 2.2306 2.2306 2.3292 2.3292 2.6740 2.6740 2.8709 2.8709 3.2777 3.2777 3.6108 3.6108 3.7798 3.7798 3.9346 3.9346 4.1335 4.1335 5.7540 5.7540 9.9499 9.9499 10.9898 10.9898 11.7704 11.7704 13.7159 13.7159 k = 0.4375 0.2078 1.0671 ( 2942 PWs) bands (ev): -15.0337 -15.0337 -15.0308 -15.0308 -0.9757 -0.9757 -0.3815 -0.3815 0.1295 0.1295 0.4352 0.4352 1.0956 1.0956 1.3844 1.3844 2.0155 2.0155 2.2195 2.2195 2.3422 2.3422 2.6802 2.6802 2.8458 2.8458 3.2527 3.2527 3.6173 3.6173 3.7835 3.7835 3.9445 3.9445 4.1435 4.1435 5.7585 5.7585 9.9480 9.9480 10.9869 10.9869 11.7731 11.7731 13.7231 13.7231 k = 0.4531 0.2152 1.0588 ( 2940 PWs) bands (ev): -15.0335 -15.0335 -15.0312 -15.0312 -0.9759 -0.9759 -0.3825 -0.3825 0.1327 0.1327 0.4353 0.4353 1.0915 1.0915 1.3794 1.3794 2.0283 2.0283 2.2044 2.2044 2.3565 2.3565 2.6865 2.6865 2.8242 2.8242 3.2273 3.2273 3.6223 3.6223 3.7869 3.7869 3.9547 3.9547 4.1535 4.1535 5.7634 5.7634 9.9450 9.9450 10.9839 10.9839 11.7760 11.7760 13.7319 13.7319 k = 0.4688 0.2226 1.0506 ( 2943 PWs) bands (ev): -15.0332 -15.0332 -15.0318 -15.0318 -0.9760 -0.9760 -0.3830 -0.3830 0.1349 0.1349 0.4351 0.4351 1.0878 1.0878 1.3774 1.3774 2.0379 2.0379 2.1893 2.1893 2.3673 2.3673 2.6935 2.6935 2.8075 2.8075 3.2020 3.2020 3.6257 3.6257 3.7897 3.7897 3.9653 3.9653 4.1636 4.1636 5.7686 5.7686 9.9409 9.9409 10.9813 10.9813 11.7792 11.7792 13.7418 13.7418 k = 0.4844 0.2300 1.0424 ( 2941 PWs) bands (ev): -15.0328 -15.0328 -15.0323 -15.0323 -0.9759 -0.9759 -0.3830 -0.3830 0.1358 0.1358 0.4345 0.4345 1.0847 1.0847 1.3783 1.3783 2.0432 2.0432 2.1767 2.1767 2.3719 2.3719 2.7008 2.7008 2.7972 2.7972 3.1771 3.1771 3.6273 3.6273 3.7918 3.7918 3.9758 3.9758 4.1740 4.1740 5.7742 5.7742 9.9355 9.9355 10.9794 10.9794 11.7828 11.7828 13.7524 13.7524 k = 0.5000 0.2374 1.0342 ( 2944 PWs) bands (ev): -15.0331 -15.0331 -15.0323 -15.0323 -0.9756 -0.9756 -0.3826 -0.3826 0.1353 0.1353 0.4335 0.4335 1.0823 1.0823 1.3821 1.3821 2.0426 2.0426 2.1684 2.1684 2.3695 2.3695 2.7058 2.7058 2.7966 2.7966 3.1531 3.1531 3.6271 3.6271 3.7933 3.7933 3.9860 3.9860 4.1849 4.1849 5.7798 5.7798 9.9288 9.9288 10.9785 10.9785 11.7868 11.7868 13.7633 13.7633 k = 0.5000 0.2374 1.0342 ( 2944 PWs) bands (ev): -15.0331 -15.0331 -15.0323 -15.0323 -0.9756 -0.9756 -0.3826 -0.3826 0.1353 0.1353 0.4335 0.4335 1.0823 1.0823 1.3821 1.3821 2.0426 2.0426 2.1684 2.1684 2.3695 2.3695 2.7058 2.7058 2.7966 2.7966 3.1531 3.1531 3.6271 3.6271 3.7933 3.7933 3.9860 3.9860 4.1849 4.1849 5.7798 5.7798 9.9288 9.9288 10.9785 10.9785 11.7868 11.7868 13.7633 13.7633 k = 0.5000 0.2374 1.0150 ( 2950 PWs) bands (ev): -15.0349 -15.0349 -15.0312 -15.0312 -0.9748 -0.9748 -0.3809 -0.3809 0.1327 0.1327 0.4306 0.4306 1.0779 1.0779 1.3943 1.3943 2.0333 2.0333 2.1541 2.1541 2.3557 2.3557 2.7095 2.7095 2.8108 2.8108 3.0988 3.0988 3.6225 3.6225 3.7957 3.7957 4.0100 4.0100 4.2115 4.2115 5.7933 5.7933 9.9104 9.9104 10.9785 10.9785 11.7983 11.7983 13.7900 13.7900 k = 0.5000 0.2374 0.9959 ( 2954 PWs) bands (ev): -15.0368 -15.0368 -15.0300 -15.0300 -0.9738 -0.9738 -0.3790 -0.3790 0.1298 0.1298 0.4272 0.4272 1.0738 1.0738 1.4072 1.4072 2.0230 2.0230 2.1387 2.1387 2.3412 2.3412 2.7096 2.7096 2.8286 2.8286 3.0459 3.0459 3.6153 3.6153 3.7984 3.7984 4.0351 4.0351 4.2386 4.2386 5.8071 5.8071 9.8892 9.8892 10.9797 10.9797 11.8126 11.8126 13.8196 13.8196 k = 0.5000 0.2374 0.9767 ( 2954 PWs) bands (ev): -15.0390 -15.0390 -15.0286 -15.0286 -0.9727 -0.9727 -0.3770 -0.3770 0.1267 0.1267 0.4234 0.4234 1.0703 1.0703 1.4205 1.4205 2.0116 2.0116 2.1225 2.1225 2.3258 2.3258 2.7067 2.7067 2.8484 2.8484 2.9957 2.9957 3.6060 3.6060 3.8017 3.8017 4.0603 4.0603 4.2658 4.2658 5.8206 5.8206 9.8651 9.8651 10.9828 10.9828 11.8300 11.8300 13.8522 13.8522 k = 0.5000 0.2374 0.9576 ( 2958 PWs) bands (ev): -15.0415 -15.0415 -15.0271 -15.0271 -0.9716 -0.9716 -0.3747 -0.3747 0.1235 0.1235 0.4192 0.4192 1.0674 1.0674 1.4340 1.4340 1.9993 1.9993 2.1054 2.1054 2.3097 2.3097 2.7015 2.7015 2.8676 2.8676 2.9506 2.9506 3.5949 3.5949 3.8057 3.8057 4.0849 4.0849 4.2931 4.2931 5.8333 5.8333 9.8381 9.8381 10.9882 10.9882 11.8508 11.8508 13.8874 13.8874 k = 0.5000 0.2374 0.9384 ( 2956 PWs) bands (ev): -15.0441 -15.0441 -15.0255 -15.0255 -0.9703 -0.9703 -0.3723 -0.3723 0.1201 0.1201 0.4145 0.4145 1.0653 1.0653 1.4476 1.4476 1.9861 1.9861 2.0877 2.0877 2.2926 2.2926 2.6940 2.6940 2.8741 2.8741 2.9228 2.9228 3.5826 3.5826 3.8104 3.8104 4.1085 4.1085 4.3204 4.3204 5.8446 5.8446 9.8079 9.8079 10.9966 10.9966 11.8750 11.8750 13.9252 13.9252 k = 0.5000 0.2374 0.9193 ( 2948 PWs) bands (ev): -15.0469 -15.0469 -15.0238 -15.0238 -0.9689 -0.9689 -0.3697 -0.3697 0.1167 0.1167 0.4094 0.4094 1.0641 1.0641 1.4611 1.4611 1.9722 1.9722 2.0695 2.0695 2.2746 2.2746 2.6839 2.6839 2.8491 2.8491 2.9318 2.9318 3.5694 3.5694 3.8158 3.8158 4.1307 4.1307 4.3477 4.3477 5.8539 5.8539 9.7747 9.7747 11.0084 11.0084 11.9029 11.9029 13.9653 13.9653 k = 0.5000 0.2374 0.9001 ( 2944 PWs) bands (ev): -15.0500 -15.0500 -15.0219 -15.0219 -0.9675 -0.9675 -0.3670 -0.3670 0.1133 0.1133 0.4039 0.4039 1.0638 1.0638 1.4745 1.4745 1.9574 1.9574 2.0509 2.0509 2.2557 2.2557 2.6705 2.6705 2.8182 2.8182 2.9531 2.9531 3.5555 3.5555 3.8216 3.8216 4.1513 4.1513 4.3750 4.3750 5.8608 5.8608 9.7382 9.7382 11.0243 11.0243 11.9344 11.9344 14.0078 14.0078 k = 0.5000 0.2374 0.8810 ( 2948 PWs) bands (ev): -15.0532 -15.0532 -15.0200 -15.0200 -0.9659 -0.9659 -0.3642 -0.3642 0.1098 0.1098 0.3981 0.3981 1.0644 1.0644 1.4875 1.4875 1.9419 1.9419 2.0319 2.0319 2.2360 2.2360 2.6530 2.6530 2.7922 2.7922 2.9765 2.9765 3.5410 3.5410 3.8278 3.8278 4.1701 4.1701 4.4024 4.4024 5.8648 5.8648 9.6986 9.6986 11.0447 11.0447 11.9697 11.9697 14.0523 14.0523 k = 0.5000 0.2374 0.8618 ( 2946 PWs) bands (ev): -15.0567 -15.0567 -15.0180 -15.0180 -0.9643 -0.9643 -0.3613 -0.3613 0.1063 0.1063 0.3919 0.3919 1.0660 1.0660 1.5001 1.5001 1.9258 1.9258 2.0127 2.0127 2.2157 2.2157 2.6319 2.6319 2.7726 2.7726 3.0005 3.0005 3.5262 3.5262 3.8343 3.8343 4.1871 4.1871 4.4298 4.4298 5.8656 5.8656 9.6556 9.6556 11.0701 11.0701 12.0088 12.0088 14.0988 14.0988 k = 0.5000 0.2374 0.8427 ( 2946 PWs) bands (ev): -15.0603 -15.0603 -15.0159 -15.0159 -0.9626 -0.9626 -0.3583 -0.3583 0.1029 0.1029 0.3854 0.3854 1.0686 1.0686 1.5122 1.5122 1.9090 1.9090 1.9934 1.9934 2.1949 2.1949 2.6082 2.6082 2.7587 2.7587 3.0244 3.0244 3.5111 3.5111 3.8409 3.8409 4.2022 4.2022 4.4573 4.4573 5.8628 5.8628 9.6094 9.6094 11.1009 11.1009 12.0516 12.0516 14.1470 14.1470 k = 0.5000 0.2374 0.8235 ( 2938 PWs) bands (ev): -15.0641 -15.0641 -15.0137 -15.0137 -0.9609 -0.9609 -0.3552 -0.3552 0.0995 0.0995 0.3787 0.3787 1.0722 1.0722 1.5235 1.5235 1.8915 1.8915 1.9742 1.9742 2.1740 2.1740 2.5837 2.5837 2.7490 2.7490 3.0481 3.0481 3.4958 3.4958 3.8476 3.8476 4.2154 4.2154 4.4848 4.4848 5.8563 5.8563 9.5600 9.5600 11.1373 11.1373 12.0982 12.0982 14.1967 14.1967 k = 0.5000 0.2374 0.8044 ( 2934 PWs) bands (ev): -15.0681 -15.0681 -15.0115 -15.0115 -0.9591 -0.9591 -0.3521 -0.3521 0.0962 0.0962 0.3719 0.3719 1.0768 1.0768 1.5340 1.5340 1.8735 1.8735 1.9554 1.9554 2.1532 2.1532 2.5595 2.5595 2.7423 2.7423 3.0714 3.0714 3.4804 3.4804 3.8542 3.8542 4.2267 4.2267 4.5123 4.5123 5.8459 5.8459 9.5075 9.5075 11.1795 11.1795 12.1485 12.1485 14.2475 14.2475 k = 0.5000 0.2374 0.7852 ( 2930 PWs) bands (ev): -15.0722 -15.0722 -15.0092 -15.0092 -0.9572 -0.9572 -0.3490 -0.3490 0.0930 0.0930 0.3650 0.3650 1.0822 1.0822 1.5434 1.5434 1.8552 1.8552 1.9371 1.9371 2.1327 2.1327 2.5365 2.5365 2.7376 2.7376 3.0941 3.0941 3.4649 3.4649 3.8607 3.8607 4.2362 4.2362 4.5396 4.5396 5.8315 5.8315 9.4519 9.4519 11.2276 11.2276 12.2025 12.2025 14.2993 14.2993 k = 0.5000 0.2374 0.7661 ( 2934 PWs) bands (ev): -15.0765 -15.0765 -15.0068 -15.0068 -0.9553 -0.9553 -0.3458 -0.3458 0.0898 0.0898 0.3581 0.3581 1.0886 1.0886 1.5515 1.5515 1.8368 1.8368 1.9195 1.9195 2.1128 2.1128 2.5150 2.5150 2.7343 2.7343 3.1163 3.1163 3.4495 3.4495 3.8671 3.8671 4.2438 4.2438 4.5667 4.5667 5.8132 5.8132 9.3933 9.3933 11.2815 11.2815 12.2602 12.2602 14.3515 14.3515 k = 0.5000 0.2374 0.7469 ( 2934 PWs) bands (ev): -15.0809 -15.0809 -15.0045 -15.0045 -0.9534 -0.9534 -0.3428 -0.3428 0.0867 0.0867 0.3512 0.3512 1.0958 1.0958 1.5580 1.5580 1.8188 1.8188 1.9027 1.9027 2.0938 2.0938 2.4952 2.4952 2.7321 2.7321 3.1378 3.1378 3.4341 3.4341 3.8732 3.8732 4.2497 4.2497 4.5934 4.5934 5.7912 5.7912 9.3319 9.3319 11.3412 11.3412 12.3216 12.3216 14.4039 14.4039 k = 0.5000 0.2374 0.7278 ( 2932 PWs) bands (ev): -15.0854 -15.0854 -15.0020 -15.0020 -0.9515 -0.9515 -0.3397 -0.3397 0.0838 0.0838 0.3445 0.3445 1.1037 1.1037 1.5624 1.5624 1.8019 1.8019 1.8869 1.8869 2.0756 2.0756 2.4771 2.4771 2.7307 2.7307 3.1586 3.1586 3.4188 3.4188 3.8791 3.8791 4.2538 4.2538 4.6196 4.6196 5.7656 5.7656 9.2678 9.2678 11.4066 11.4066 12.3865 12.3865 14.4557 14.4557 k = 0.5000 0.2374 0.7086 ( 2936 PWs) bands (ev): -15.0901 -15.0901 -14.9996 -14.9996 -0.9496 -0.9496 -0.3368 -0.3368 0.0809 0.0809 0.3381 0.3381 1.1123 1.1123 1.5642 1.5642 1.7870 1.7870 1.8721 1.8721 2.0585 2.0585 2.4606 2.4606 2.7300 2.7300 3.1786 3.1786 3.4036 3.4036 3.8847 3.8847 4.2562 4.2562 4.6451 4.6451 5.7367 5.7367 9.2013 9.2013 11.4773 11.4773 12.4548 12.4548 14.5067 14.5067 k = 0.5000 0.2374 0.6895 ( 2940 PWs) bands (ev): -15.0949 -15.0949 -14.9971 -14.9971 -0.9476 -0.9476 -0.3339 -0.3339 0.0781 0.0781 0.3319 0.3319 1.1214 1.1214 1.5631 1.5631 1.7747 1.7747 1.8583 1.8583 2.0425 2.0425 2.4457 2.4457 2.7299 2.7299 3.1977 3.1977 3.3887 3.3887 3.8899 3.8899 4.2569 4.2569 4.6698 4.6698 5.7048 5.7048 9.1324 9.1324 11.5532 11.5532 12.5267 12.5267 14.5560 14.5560 k = 0.5000 0.2374 0.6703 ( 2938 PWs) bands (ev): -15.0998 -15.0998 -14.9947 -14.9947 -0.9457 -0.9457 -0.3312 -0.3312 0.0754 0.0754 0.3261 0.3261 1.1308 1.1308 1.5588 1.5588 1.7657 1.7657 1.8455 1.8455 2.0277 2.0277 2.4321 2.4321 2.7302 2.7302 3.2160 3.2160 3.3741 3.3741 3.8947 3.8947 4.2559 4.2559 4.6936 4.6936 5.6703 5.6703 9.0615 9.0615 11.6339 11.6339 12.6018 12.6018 14.6031 14.6031 k = 0.5000 0.2374 0.6512 ( 2938 PWs) bands (ev): -15.1048 -15.1048 -14.9922 -14.9922 -0.9438 -0.9438 -0.3286 -0.3286 0.0728 0.0728 0.3207 0.3207 1.1405 1.1405 1.5513 1.5513 1.7602 1.7602 1.8338 1.8338 2.0141 2.0141 2.4199 2.4199 2.7309 2.7309 3.2332 3.2332 3.3598 3.3598 3.8992 3.8992 4.2531 4.2531 4.7162 4.7162 5.6337 5.6337 8.9886 8.9886 11.7191 11.7191 12.6802 12.6802 14.6473 14.6473 k = 0.5000 0.2374 0.6320 ( 2930 PWs) bands (ev): -15.1098 -15.1098 -14.9898 -14.9898 -0.9419 -0.9419 -0.3262 -0.3262 0.0703 0.0703 0.3158 0.3158 1.1503 1.1503 1.5410 1.5410 1.7580 1.7580 1.8233 1.8233 2.0017 2.0017 2.4088 2.4088 2.7321 2.7321 3.2492 3.2492 3.3463 3.3463 3.9033 3.9033 4.2485 4.2485 4.7375 4.7375 5.5953 5.5953 8.9142 8.9142 11.8084 11.8084 12.7618 12.7618 14.6880 14.6880 k = 0.5000 0.2374 0.6129 ( 2930 PWs) bands (ev): -15.1149 -15.1149 -14.9873 -14.9873 -0.9401 -0.9401 -0.3239 -0.3239 0.0680 0.0680 0.3113 0.3113 1.1599 1.1599 1.5287 1.5287 1.7584 1.7584 1.8142 1.8142 1.9908 1.9908 2.3988 2.3988 2.7336 2.7336 3.2636 3.2636 3.3339 3.3339 3.9070 3.9070 4.2421 4.2421 4.7574 4.7574 5.5556 5.5556 8.8383 8.8383 11.9014 11.9014 12.8462 12.8462 14.7247 14.7247 k = 0.5000 0.2374 0.5937 ( 2924 PWs) bands (ev): -15.1200 -15.1200 -14.9849 -14.9849 -0.9382 -0.9382 -0.3218 -0.3218 0.0658 0.0658 0.3074 0.3074 1.1693 1.1693 1.5151 1.5151 1.7605 1.7605 1.8070 1.8070 1.9813 1.9813 2.3898 2.3898 2.7354 2.7354 3.2749 3.2749 3.3239 3.3239 3.9103 3.9103 4.2336 4.2336 4.7757 4.7757 5.5151 5.5151 8.7613 8.7613 11.9977 11.9977 12.9334 12.9334 14.7568 14.7568 k = 0.5000 0.2374 0.5746 ( 2924 PWs) bands (ev): -15.1252 -15.1252 -14.9825 -14.9825 -0.9365 -0.9365 -0.3199 -0.3199 0.0638 0.0638 0.3039 0.3039 1.1782 1.1782 1.5009 1.5009 1.7628 1.7628 1.8024 1.8024 1.9736 1.9736 2.3817 2.3817 2.7376 2.7376 3.2801 3.2801 3.3198 3.3198 3.9132 3.9132 4.2232 4.2232 4.7923 4.7923 5.4743 5.4743 8.6835 8.6835 12.0970 12.0970 13.0232 13.0232 14.7841 14.7841 k = 0.5000 0.2374 0.5554 ( 2924 PWs) bands (ev): -15.1304 -15.1304 -14.9802 -14.9802 -0.9347 -0.9347 -0.3183 -0.3183 0.0620 0.0620 0.3008 0.3008 1.1864 1.1864 1.4866 1.4866 1.7637 1.7637 1.8014 1.8014 1.9678 1.9678 2.3743 2.3743 2.7401 2.7401 3.2765 3.2765 3.3241 3.3241 3.9156 3.9156 4.2105 4.2105 4.8068 4.8068 5.4336 5.4336 8.6050 8.6050 12.1989 12.1989 13.1151 13.1151 14.8065 14.8065 k = 0.5000 0.2374 0.5363 ( 2936 PWs) bands (ev): -15.1356 -15.1356 -14.9779 -14.9779 -0.9331 -0.9331 -0.3168 -0.3168 0.0605 0.0605 0.2982 0.2982 1.1939 1.1939 1.4727 1.4727 1.7623 1.7623 1.8042 1.8042 1.9645 1.9645 2.3677 2.3677 2.7431 2.7431 3.2679 3.2679 3.3330 3.3330 3.9177 3.9177 4.1955 4.1955 4.8193 4.8193 5.3935 5.3935 8.5263 8.5263 12.3029 12.3029 13.2089 13.2089 14.8244 14.8244 k = 0.5000 0.2374 0.5171 ( 2928 PWs) bands (ev): -15.1408 -15.1408 -14.9756 -14.9756 -0.9314 -0.9314 -0.3155 -0.3155 0.0592 0.0592 0.2960 0.2960 1.2005 1.2005 1.4594 1.4594 1.7591 1.7591 1.8095 1.8095 1.9642 1.9642 2.3618 2.3618 2.7464 2.7464 3.2578 3.2578 3.3433 3.3433 3.9194 3.9194 4.1782 4.1782 4.8294 4.8294 5.3545 5.3545 8.4475 8.4475 12.4087 12.4087 13.3040 13.3040 14.8381 14.8381 k = 0.5000 0.2374 0.4979 ( 2928 PWs) bands (ev): -15.1459 -15.1459 -14.9734 -14.9734 -0.9299 -0.9299 -0.3143 -0.3143 0.0583 0.0583 0.2942 0.2942 1.2061 1.2061 1.4470 1.4470 1.7549 1.7549 1.8159 1.8159 1.9674 1.9674 2.3564 2.3564 2.7501 2.7501 3.2476 3.2476 3.3535 3.3535 3.9207 3.9207 4.1585 4.1585 4.8370 4.8370 5.3169 5.3169 8.3691 8.3691 12.5160 12.5160 13.4000 13.4000 14.8486 14.8486 k = 0.5000 0.2374 0.4788 ( 2920 PWs) bands (ev): -15.1511 -15.1511 -14.9713 -14.9713 -0.9284 -0.9284 -0.3134 -0.3134 0.0577 0.0577 0.2926 0.2926 1.2108 1.2108 1.4354 1.4354 1.7501 1.7501 1.8224 1.8224 1.9745 1.9745 2.3517 2.3517 2.7543 2.7543 3.2378 3.2378 3.3634 3.3634 3.9216 3.9216 4.1362 4.1362 4.8420 4.8420 5.2811 5.2811 8.2912 8.2912 12.6242 12.6242 13.4960 13.4960 14.8570 14.8570 k = 0.5000 0.2374 0.4596 ( 2918 PWs) bands (ev): -15.1561 -15.1561 -14.9692 -14.9692 -0.9269 -0.9269 -0.3125 -0.3125 0.0574 0.0574 0.2913 0.2913 1.2146 1.2146 1.4248 1.4248 1.7447 1.7447 1.8286 1.8286 1.9858 1.9858 2.3474 2.3474 2.7590 2.7590 3.2287 3.2287 3.3728 3.3728 3.9222 3.9222 4.1115 4.1115 4.8441 4.8441 5.2474 5.2474 8.2143 8.2143 12.7329 12.7329 13.5911 13.5911 14.8647 14.8647 k = 0.5000 0.2374 0.4405 ( 2928 PWs) bands (ev): -15.1611 -15.1611 -14.9672 -14.9672 -0.9255 -0.9255 -0.3119 -0.3119 0.0574 0.0574 0.2902 0.2902 1.2175 1.2175 1.4151 1.4151 1.7385 1.7385 1.8346 1.8346 2.0010 2.0010 2.3436 2.3436 2.7642 2.7642 3.2205 3.2205 3.3816 3.3816 3.9225 3.9225 4.0843 4.0843 4.8432 4.8432 5.2160 5.2160 8.1387 8.1387 12.8416 12.8416 13.6843 13.6843 14.8735 14.8735 k = 0.5000 0.2374 0.4213 ( 2940 PWs) bands (ev): -15.1661 -15.1661 -14.9653 -14.9653 -0.9241 -0.9241 -0.3113 -0.3113 0.0578 0.0578 0.2893 0.2893 1.2198 1.2198 1.4063 1.4063 1.7314 1.7314 1.8406 1.8406 2.0198 2.0198 2.3402 2.3402 2.7700 2.7700 3.2133 3.2133 3.3897 3.3897 3.9225 3.9225 4.0548 4.0548 4.8391 4.8391 5.1869 5.1869 8.0646 8.0646 12.9498 12.9498 13.7741 13.7741 14.8856 14.8856 k = 0.5000 0.2374 0.4022 ( 2940 PWs) bands (ev): -15.1709 -15.1709 -14.9634 -14.9634 -0.9228 -0.9228 -0.3107 -0.3107 0.0585 0.0585 0.2885 0.2885 1.2216 1.2216 1.3982 1.3982 1.7232 1.7232 1.8471 1.8471 2.0415 2.0415 2.3373 2.3373 2.7765 2.7765 3.2074 3.2074 3.3973 3.3973 3.9222 3.9222 4.0232 4.0232 4.8316 4.8316 5.1605 5.1605 7.9923 7.9923 13.0568 13.0568 13.8592 13.8592 14.9032 14.9032 k = 0.5000 0.2374 0.3830 ( 2940 PWs) bands (ev): -15.1756 -15.1756 -14.9616 -14.9616 -0.9216 -0.9216 -0.3103 -0.3103 0.0596 0.0596 0.2878 0.2878 1.2231 1.2231 1.3908 1.3908 1.7138 1.7138 1.8545 1.8545 2.0655 2.0655 2.3347 2.3347 2.7835 2.7835 3.2030 3.2030 3.4043 3.4043 3.9217 3.9217 3.9897 3.9897 4.8206 4.8206 5.1365 5.1365 7.9223 7.9223 13.1617 13.1617 13.9381 13.9381 14.9289 14.9289 k = 0.5000 0.2374 0.3639 ( 2944 PWs) bands (ev): -15.1802 -15.1802 -14.9599 -14.9599 -0.9204 -0.9204 -0.3098 -0.3098 0.0609 0.0609 0.2871 0.2871 1.2245 1.2245 1.3841 1.3841 1.7033 1.7033 1.8628 1.8628 2.0912 2.0912 2.3324 2.3324 2.7912 2.7912 3.2003 3.2003 3.4107 3.4107 3.9209 3.9209 3.9547 3.9547 4.8059 4.8059 5.1150 5.1150 7.8547 7.8547 13.2635 13.2635 14.0096 14.0096 14.9648 14.9648 k = 0.5000 0.2374 0.3447 ( 2944 PWs) bands (ev): -15.1846 -15.1846 -14.9583 -14.9583 -0.9193 -0.9193 -0.3094 -0.3094 0.0625 0.0625 0.2865 0.2865 1.2259 1.2259 1.3779 1.3779 1.6916 1.6916 1.8721 1.8721 2.1181 2.1181 2.3305 2.3305 2.7995 2.7995 3.1996 3.1996 3.4167 3.4167 3.9168 3.9168 3.9214 3.9214 4.7875 4.7875 5.0959 5.0959 7.7898 7.7898 13.3605 13.3605 14.0737 14.0737 15.0127 15.0127 k = 0.5000 0.2374 0.3256 ( 2940 PWs) bands (ev): -15.1889 -15.1889 -14.9567 -14.9567 -0.9181 -0.9181 -0.3090 -0.3090 0.0644 0.0644 0.2858 0.2858 1.2275 1.2275 1.3723 1.3723 1.6789 1.6789 1.8824 1.8824 2.1454 2.1454 2.3290 2.3290 2.8084 2.8084 3.2012 3.2012 3.4222 3.4222 3.8806 3.8806 3.9192 3.9192 4.7651 4.7651 5.0791 5.0791 7.7279 7.7279 13.4512 13.4512 14.1315 14.1315 15.0731 15.0731 k = 0.5000 0.2374 0.3064 ( 2940 PWs) bands (ev): -15.1930 -15.1930 -14.9553 -14.9553 -0.9171 -0.9171 -0.3086 -0.3086 0.0665 0.0665 0.2852 0.2852 1.2293 1.2293 1.3671 1.3671 1.6652 1.6652 1.8936 1.8936 2.1728 2.1728 2.3277 2.3277 2.8177 2.8177 3.2053 3.2053 3.4273 3.4273 3.8428 3.8428 3.9179 3.9179 4.7389 4.7389 5.0644 5.0644 7.6693 7.6693 13.5331 13.5331 14.1854 14.1854 15.1456 15.1456 k = 0.5000 0.2374 0.2873 ( 2940 PWs) bands (ev): -15.1970 -15.1970 -14.9539 -14.9539 -0.9161 -0.9161 -0.3082 -0.3082 0.0688 0.0688 0.2845 0.2845 1.2316 1.2316 1.3625 1.3625 1.6508 1.6508 1.9056 1.9056 2.1996 2.1996 2.3268 2.3268 2.8274 2.8274 3.2122 3.2122 3.4322 3.4322 3.8048 3.8048 3.9166 3.9166 4.7087 4.7087 5.0516 5.0516 7.6140 7.6140 13.6040 13.6040 14.2392 14.2392 15.2288 15.2288 k = 0.5000 0.2374 0.2681 ( 2948 PWs) bands (ev): -15.2007 -15.2007 -14.9526 -14.9526 -0.9151 -0.9151 -0.3077 -0.3077 0.0712 0.0712 0.2838 0.2838 1.2344 1.2344 1.3582 1.3582 1.6355 1.6355 1.9182 1.9182 2.2255 2.2255 2.3262 2.3262 2.8371 2.8371 3.2222 3.2222 3.4370 3.4370 3.7672 3.7672 3.9152 3.9152 4.6746 4.6746 5.0405 5.0405 7.5622 7.5622 13.6617 13.6617 14.2962 14.2962 15.3207 15.3207 k = 0.5000 0.2374 0.2490 ( 2944 PWs) bands (ev): -15.2043 -15.2043 -14.9514 -14.9514 -0.9142 -0.9142 -0.3073 -0.3073 0.0737 0.0737 0.2831 0.2831 1.2377 1.2377 1.3545 1.3545 1.6197 1.6197 1.9312 1.9312 2.2500 2.2500 2.3260 2.3260 2.8467 2.8467 3.2353 3.2353 3.4421 3.4421 3.7305 3.7305 3.9138 3.9138 4.6367 4.6367 5.0310 5.0310 7.5142 7.5142 13.7056 13.7056 14.3588 14.3588 15.4193 15.4193 k = 0.5000 0.2374 0.2298 ( 2948 PWs) bands (ev): -15.2076 -15.2076 -14.9503 -14.9503 -0.9134 -0.9134 -0.3068 -0.3068 0.0762 0.0762 0.2824 0.2824 1.2416 1.2416 1.3512 1.3512 1.6034 1.6034 1.9444 1.9444 2.2726 2.2726 2.3263 2.3263 2.8560 2.8560 3.2512 3.2512 3.4479 3.4479 3.6951 3.6951 3.9124 3.9124 4.5951 4.5951 5.0228 5.0228 7.4698 7.4698 13.7361 13.7361 14.4276 14.4276 15.5227 15.5227 k = 0.5000 0.2374 0.2107 ( 2948 PWs) bands (ev): -15.2107 -15.2107 -14.9493 -14.9493 -0.9125 -0.9125 -0.3063 -0.3063 0.0788 0.0788 0.2816 0.2816 1.2461 1.2461 1.3484 1.3484 1.5867 1.5867 1.9577 1.9577 2.2927 2.2927 2.3275 2.3275 2.8648 2.8648 3.2691 3.2691 3.4552 3.4552 3.6616 3.6616 3.9109 3.9109 4.5500 4.5500 5.0159 5.0159 7.4293 7.4293 13.7552 13.7552 14.5015 14.5015 15.6292 15.6292 k = 0.5000 0.2374 0.1915 ( 2952 PWs) bands (ev): -15.2136 -15.2136 -14.9484 -14.9484 -0.9118 -0.9118 -0.3058 -0.3058 0.0813 0.0813 0.2809 0.2809 1.2511 1.2511 1.3462 1.3462 1.5697 1.5697 1.9708 1.9708 2.3086 2.3086 2.3311 2.3311 2.8729 2.8729 3.2877 3.2877 3.4655 3.4655 3.6306 3.6306 3.9095 3.9095 4.5015 4.5015 5.0101 5.0101 7.3926 7.3926 13.7654 13.7654 14.5786 14.5786 15.7371 15.7371 k = 0.5000 0.2374 0.1724 ( 2960 PWs) bands (ev): -15.2162 -15.2162 -14.9475 -14.9475 -0.9111 -0.9111 -0.3053 -0.3053 0.0837 0.0837 0.2802 0.2802 1.2565 1.2565 1.3446 1.3446 1.5526 1.5526 1.9835 1.9835 2.3175 2.3175 2.3399 2.3399 2.8802 2.8802 3.3045 3.3045 3.4806 3.4806 3.6027 3.6027 3.9082 3.9082 4.4500 4.4500 5.0052 5.0052 7.3597 7.3597 13.7692 13.7692 14.6566 14.6566 15.8450 15.8450 k = 0.5000 0.2374 0.1532 ( 2954 PWs) bands (ev): -15.2186 -15.2186 -14.9468 -14.9468 -0.9105 -0.9105 -0.3048 -0.3048 0.0861 0.0861 0.2795 0.2795 1.2623 1.2623 1.3437 1.3437 1.5355 1.5355 1.9956 1.9956 2.3211 2.3211 2.3520 2.3520 2.8868 2.8868 3.3171 3.3171 3.5028 3.5028 3.5785 3.5785 3.9070 3.9070 4.3958 4.3958 5.0012 5.0012 7.3305 7.3305 13.7686 13.7686 14.7331 14.7331 15.9514 15.9514 k = 0.5000 0.2374 0.1341 ( 2954 PWs) bands (ev): -15.2207 -15.2207 -14.9461 -14.9461 -0.9099 -0.9099 -0.3043 -0.3043 0.0882 0.0882 0.2788 0.2788 1.2682 1.2682 1.3437 1.3437 1.5185 1.5185 2.0069 2.0069 2.3228 2.3228 2.3640 2.3640 2.8927 2.8927 3.3240 3.3240 3.5332 3.5332 3.5583 3.5583 3.9058 3.9058 4.3390 4.3390 4.9978 4.9978 7.3050 7.3050 13.7652 13.7652 14.8062 14.8062 16.0547 16.0547 k = 0.5000 0.2374 0.1149 ( 2954 PWs) bands (ev): -15.2225 -15.2225 -14.9455 -14.9455 -0.9094 -0.9094 -0.3039 -0.3039 0.0902 0.0902 0.2782 0.2782 1.2740 1.2740 1.3448 1.3448 1.5020 1.5020 2.0171 2.0171 2.3241 2.3241 2.3746 2.3746 2.8978 2.8978 3.3253 3.3253 3.5419 3.5419 3.5718 3.5718 3.9048 3.9048 4.2803 4.2803 4.9951 4.9951 7.2831 7.2831 13.7604 13.7604 14.8740 14.8740 16.1532 16.1532 k = 0.5000 0.2374 0.0958 ( 2954 PWs) bands (ev): -15.2241 -15.2241 -14.9451 -14.9451 -0.9090 -0.9090 -0.3035 -0.3035 0.0919 0.0919 0.2777 0.2777 1.2794 1.2794 1.3470 1.3470 1.4859 1.4859 2.0261 2.0261 2.3252 2.3252 2.3835 2.3835 2.9023 2.9023 3.3225 3.3225 3.5297 3.5297 3.6168 3.6168 3.9039 3.9039 4.2198 4.2198 4.9929 4.9929 7.2647 7.2647 13.7550 13.7550 14.9347 14.9347 16.2447 16.2447 k = 0.5000 0.2374 0.0766 ( 2950 PWs) bands (ev): -15.2254 -15.2254 -14.9447 -14.9447 -0.9086 -0.9086 -0.3031 -0.3031 0.0934 0.0934 0.2772 0.2772 1.2840 1.2840 1.3506 1.3506 1.4708 1.4708 2.0337 2.0337 2.3261 2.3261 2.3907 2.3907 2.9060 2.9060 3.3173 3.3173 3.5207 3.5207 3.6671 3.6671 3.9031 3.9031 4.1581 4.1581 4.9913 4.9913 7.2498 7.2498 13.7498 13.7498 14.9868 14.9868 16.3267 16.3267 k = 0.5000 0.2374 0.0575 ( 2938 PWs) bands (ev): -15.2264 -15.2264 -14.9443 -14.9443 -0.9083 -0.9083 -0.3028 -0.3028 0.0946 0.0946 0.2768 0.2768 1.2876 1.2876 1.3552 1.3552 1.4571 1.4571 2.0398 2.0398 2.3269 2.3269 2.3962 2.3962 2.9091 2.9091 3.3115 3.3115 3.5145 3.5145 3.7213 3.7213 3.9026 3.9026 4.0958 4.0958 4.9900 4.9900 7.2383 7.2383 13.7453 13.7453 15.0289 15.0289 16.3961 16.3961 k = 0.5000 0.2374 0.0383 ( 2944 PWs) bands (ev): -15.2271 -15.2271 -14.9441 -14.9441 -0.9081 -0.9081 -0.3027 -0.3027 0.0954 0.0954 0.2766 0.2766 1.2902 1.2902 1.3603 1.3603 1.4454 1.4454 2.0443 2.0443 2.3274 2.3274 2.4001 2.4001 2.9113 2.9113 3.3064 3.3064 3.5104 3.5104 3.7780 3.7780 3.9022 3.9022 4.0335 4.0335 4.9891 4.9891 7.2301 7.2301 13.7418 13.7418 15.0599 15.0599 16.4494 16.4494 k = 0.5000 0.2374 0.0192 ( 2936 PWs) bands (ev): -15.2276 -15.2276 -14.9440 -14.9440 -0.9080 -0.9080 -0.3025 -0.3025 0.0959 0.0959 0.2764 0.2764 1.2917 1.2917 1.3647 1.3647 1.4373 1.4373 2.0470 2.0470 2.3278 2.3278 2.4024 2.4024 2.9127 2.9127 3.3030 3.3030 3.5082 3.5082 3.8347 3.8347 3.9025 3.9025 3.9731 3.9731 4.9886 4.9886 7.2252 7.2252 13.7396 13.7396 15.0789 15.0789 16.4832 16.4832 k = 0.5000 0.2374-0.0000 ( 2936 PWs) bands (ev): -15.2277 -15.2277 -14.9439 -14.9439 -0.9079 -0.9079 -0.3025 -0.3025 0.0961 0.0961 0.2764 0.2764 1.2921 1.2921 1.3664 1.3664 1.4342 1.4342 2.0479 2.0479 2.3279 2.3279 2.4032 2.4032 2.9131 2.9131 3.3018 3.3018 3.5075 3.5075 3.8720 3.8720 3.9054 3.9054 3.9318 3.9318 4.9884 4.9884 7.2236 7.2236 13.7389 13.7389 15.0852 15.0852 16.4947 16.4947 k = 0.0000 0.0000 1.1656 ( 2932 PWs) bands (ev): -15.0359 -15.0359 -15.0275 -15.0275 -0.9784 -0.9784 -0.3881 -0.3881 0.1446 0.1446 0.4425 0.4425 1.1044 1.1044 1.3346 1.3346 2.0732 2.0732 2.2193 2.2193 2.4304 2.4304 2.6428 2.6428 2.7783 2.7783 3.4749 3.4749 3.5424 3.5424 3.7581 3.7581 3.9297 3.9297 4.0634 4.0634 5.7272 5.7272 9.9859 9.9859 10.9852 10.9852 11.7594 11.7594 13.6737 13.6737 k = 0.0167 0.0079 1.1656 ( 2928 PWs) bands (ev): -15.0359 -15.0359 -15.0275 -15.0275 -0.9783 -0.9783 -0.3879 -0.3879 0.1438 0.1438 0.4423 0.4423 1.1047 1.1047 1.3363 1.3363 2.0694 2.0694 2.2233 2.2233 2.4222 2.4222 2.6481 2.6481 2.7806 2.7806 3.4743 3.4743 3.5428 3.5428 3.7583 3.7583 3.9290 3.9290 4.0633 4.0633 5.7273 5.7273 9.9854 9.9854 10.9854 10.9854 11.7593 11.7593 13.6741 13.6741 k = 0.0333 0.0158 1.1656 ( 2932 PWs) bands (ev): -15.0358 -15.0358 -15.0275 -15.0275 -0.9780 -0.9780 -0.3871 -0.3871 0.1416 0.1416 0.4418 0.4418 1.1055 1.1055 1.3414 1.3414 2.0591 2.0591 2.2341 2.2341 2.4005 2.4005 2.6599 2.6599 2.7885 2.7885 3.4723 3.4723 3.5439 3.5439 3.7587 3.7587 3.9270 3.9270 4.0629 4.0629 5.7275 5.7275 9.9840 9.9840 10.9858 10.9858 11.7590 11.7590 13.6754 13.6754 k = 0.0500 0.0237 1.1656 ( 2934 PWs) bands (ev): -15.0357 -15.0357 -15.0276 -15.0276 -0.9776 -0.9776 -0.3858 -0.3858 0.1379 0.1379 0.4410 0.4410 1.1068 1.1068 1.3499 1.3499 2.0441 2.0441 2.2496 2.2496 2.3710 2.3710 2.6711 2.6711 2.8040 2.8040 3.4690 3.4690 3.5459 3.5459 3.7593 3.7593 3.9237 3.9237 4.0622 4.0622 5.7279 5.7279 9.9816 9.9816 10.9865 10.9865 11.7585 11.7585 13.6774 13.6774 k = 0.0667 0.0317 1.1656 ( 2938 PWs) bands (ev): -15.0356 -15.0356 -15.0277 -15.0277 -0.9771 -0.9771 -0.3842 -0.3842 0.1331 0.1331 0.4399 0.4399 1.1085 1.1085 1.3617 1.3617 2.0261 2.0261 2.2678 2.2678 2.3382 2.3382 2.6767 2.6767 2.8278 2.8278 3.4642 3.4642 3.5486 3.5486 3.7602 3.7602 3.9192 3.9192 4.0613 4.0613 5.7285 5.7285 9.9784 9.9784 10.9875 10.9875 11.7577 11.7577 13.6802 13.6802 k = 0.0833 0.0396 1.1656 ( 2942 PWs) bands (ev): -15.0355 -15.0355 -15.0279 -15.0279 -0.9764 -0.9764 -0.3821 -0.3821 0.1273 0.1273 0.4385 0.4385 1.1105 1.1105 1.3765 1.3765 2.0058 2.0058 2.2832 2.2832 2.3089 2.3089 2.6762 2.6762 2.8583 2.8583 3.4578 3.4578 3.5521 3.5521 3.7615 3.7615 3.9137 3.9137 4.0602 4.0602 5.7291 5.7291 9.9746 9.9746 10.9886 10.9886 11.7568 11.7568 13.6834 13.6834 k = 0.1000 0.0475 1.1656 ( 2942 PWs) bands (ev): -15.0353 -15.0353 -15.0281 -15.0281 -0.9756 -0.9756 -0.3797 -0.3797 0.1207 0.1207 0.4370 0.4370 1.1127 1.1127 1.3943 1.3943 1.9838 1.9838 2.2644 2.2644 2.3158 2.3158 2.6709 2.6709 2.8928 2.8928 3.4498 3.4498 3.5560 3.5560 3.7630 3.7630 3.9072 3.9072 4.0589 4.0589 5.7299 5.7299 9.9703 9.9703 10.9900 10.9900 11.7558 11.7558 13.6871 13.6871 k = 0.1167 0.0554 1.1656 ( 2946 PWs) bands (ev): -15.0351 -15.0351 -15.0283 -15.0283 -0.9748 -0.9748 -0.3771 -0.3771 0.1137 0.1137 0.4353 0.4353 1.1151 1.1151 1.4148 1.4148 1.9599 1.9599 2.2336 2.2336 2.3374 2.3374 2.6619 2.6619 2.9293 2.9293 3.4402 3.4402 3.5604 3.5604 3.7650 3.7650 3.9001 3.9001 4.0575 4.0575 5.7307 5.7307 9.9657 9.9657 10.9914 10.9914 11.7547 11.7547 13.6911 13.6911 k = 0.1333 0.0633 1.1656 ( 2946 PWs) bands (ev): -15.0349 -15.0349 -15.0285 -15.0285 -0.9739 -0.9739 -0.3743 -0.3743 0.1066 0.1066 0.4335 0.4335 1.1174 1.1174 1.4376 1.4376 1.9343 1.9343 2.2046 2.2046 2.3605 2.3605 2.6502 2.6502 2.9661 2.9661 3.4290 3.4290 3.5650 3.5650 3.7672 3.7672 3.8925 3.8925 4.0560 4.0560 5.7315 5.7315 9.9610 9.9610 10.9928 10.9928 11.7536 11.7536 13.6951 13.6951 k = 0.1500 0.0712 1.1656 ( 2946 PWs) bands (ev): -15.0346 -15.0346 -15.0287 -15.0287 -0.9731 -0.9731 -0.3716 -0.3716 0.0996 0.0996 0.4317 0.4317 1.1197 1.1197 1.4624 1.4624 1.9071 1.9071 2.1789 2.1789 2.3841 2.3841 2.6363 2.6363 3.0023 3.0023 3.4163 3.4163 3.5695 3.5695 3.7699 3.7699 3.8846 3.8846 4.0545 4.0545 5.7324 5.7324 9.9564 9.9564 10.9943 10.9943 11.7525 11.7525 13.6990 13.6990 k = 0.1667 0.0791 1.1656 ( 2940 PWs) bands (ev): -15.0344 -15.0344 -15.0290 -15.0290 -0.9723 -0.9723 -0.3690 -0.3690 0.0931 0.0931 0.4301 0.4301 1.1217 1.1217 1.4887 1.4887 1.8785 1.8785 2.1571 2.1571 2.4079 2.4079 2.6206 2.6206 3.0369 3.0369 3.4025 3.4025 3.5738 3.5738 3.7728 3.7728 3.8768 3.8768 4.0531 4.0531 5.7331 5.7331 9.9521 9.9521 10.9957 10.9957 11.7515 11.7515 13.7027 13.7027 k = 0.1833 0.0871 1.1656 ( 2940 PWs) bands (ev): -15.0342 -15.0342 -15.0292 -15.0292 -0.9716 -0.9716 -0.3666 -0.3666 0.0874 0.0874 0.4286 0.4286 1.1235 1.1235 1.5158 1.5158 1.8493 1.8493 2.1394 2.1394 2.4316 2.4316 2.6035 2.6035 3.0689 3.0689 3.3880 3.3880 3.5776 3.5776 3.7760 3.7760 3.8694 3.8694 4.0518 4.0518 5.7338 5.7338 9.9483 9.9483 10.9969 10.9969 11.7506 11.7506 13.7059 13.7059 k = 0.2000 0.0950 1.1656 ( 2936 PWs) bands (ev): -15.0340 -15.0340 -15.0294 -15.0294 -0.9710 -0.9710 -0.3646 -0.3646 0.0826 0.0826 0.4273 0.4273 1.1250 1.1250 1.5425 1.5425 1.8207 1.8207 2.1259 2.1259 2.4552 2.4552 2.5850 2.5850 3.0971 3.0971 3.3737 3.3737 3.5808 3.5808 3.7790 3.7790 3.8627 3.8627 4.0508 4.0508 5.7344 5.7344 9.9452 9.9452 10.9979 10.9979 11.7499 11.7499 13.7086 13.7086 k = 0.2167 0.1029 1.1656 ( 2936 PWs) bands (ev): -15.0338 -15.0338 -15.0296 -15.0296 -0.9706 -0.9706 -0.3631 -0.3631 0.0790 0.0790 0.4264 0.4264 1.1261 1.1261 1.5667 1.5667 1.7949 1.7949 2.1163 2.1163 2.4784 2.4784 2.5653 2.5653 3.1200 3.1200 3.3609 3.3609 3.5832 3.5832 3.7818 3.7818 3.8573 3.8573 4.0500 4.0500 5.7348 5.7348 9.9429 9.9429 10.9987 10.9987 11.7493 11.7493 13.7106 13.7106 k = 0.2333 0.1108 1.1656 ( 2932 PWs) bands (ev): -15.0337 -15.0337 -15.0297 -15.0297 -0.9703 -0.9703 -0.3622 -0.3622 0.0768 0.0768 0.4258 0.4258 1.1267 1.1267 1.5849 1.5849 1.7757 1.7757 2.1107 2.1107 2.5011 2.5011 2.5447 2.5447 3.1353 3.1353 3.3517 3.3517 3.5847 3.5847 3.7837 3.7837 3.8538 3.8538 4.0495 4.0495 5.7350 5.7350 9.9414 9.9414 10.9991 10.9991 11.7489 11.7489 13.7118 13.7118 k = 0.2500 0.1187 1.1656 ( 2928 PWs) bands (ev): -15.0337 -15.0337 -15.0297 -15.0297 -0.9702 -0.9702 -0.3618 -0.3618 0.0761 0.0761 0.4256 0.4256 1.1270 1.1270 1.5919 1.5919 1.7683 1.7683 2.1088 2.1088 2.5230 2.5230 2.5235 2.5235 3.1408 3.1408 3.3484 3.3484 3.5852 3.5852 3.7844 3.7844 3.8525 3.8525 4.0493 4.0493 5.7351 5.7351 9.9410 9.9410 10.9993 10.9993 11.7488 11.7488 13.7123 13.7123 Writing output data file HgF.save init_run : 0.39s CPU 0.53s WALL ( 1 calls) electrons : 220.01s CPU 222.95s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 220.00s CPU 222.94s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.04s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.04s WALL ( 378 calls) cegterg : 204.60s CPU 206.96s WALL ( 419 calls) Called by sum_band: Called by *egterg: h_psi : 151.69s CPU 153.51s WALL ( 7678 calls) s_psi : 5.30s CPU 5.25s WALL ( 7678 calls) g_psi : 0.22s CPU 0.21s WALL ( 6881 calls) cdiaghg : 47.65s CPU 48.52s WALL ( 7259 calls) cegterg:over : 5.30s CPU 5.28s WALL ( 6881 calls) cegterg:upda : 3.68s CPU 3.74s WALL ( 6881 calls) cegterg:last : 2.42s CPU 2.43s WALL ( 1553 calls) cdiaghg:chol : 2.86s CPU 2.72s WALL ( 7259 calls) cdiaghg:inve : 1.59s CPU 1.83s WALL ( 7259 calls) cdiaghg:para : 2.77s CPU 2.79s WALL ( 14518 calls) Called by h_psi: h_psi:vloc : 143.69s CPU 145.43s WALL ( 7678 calls) h_psi:vnl : 7.76s CPU 7.85s WALL ( 7678 calls) add_vuspsi : 3.86s CPU 3.96s WALL ( 7678 calls) General routines calbec : 3.88s CPU 3.87s WALL ( 7678 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 131.57s CPU 133.27s WALL ( 937156 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.17s CPU 0.24s WALL ( 756 calls) Parallel routines fft_scatter : 38.59s CPU 39.13s WALL ( 937179 calls) PWSCF : 3m54.53s CPU 4m15.86s WALL This run was terminated on: 18:33: 8 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=