Program PWSCF v.5.1.1 starts on 21Jul2015 at 5:12: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./AlN.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 8 2 402 162 26 Max 15 9 3 409 171 33 Sum 717 399 129 19569 7889 1457 bravais-lattice index = 14 lattice parameter (alat) = 5.4936 a.u. unit-cell volume = 201.2629 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.493588 celldm(2)= 1.000000 celldm(3)= 1.296833 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.351796 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.351796 0.936077 0.000000 ) a(3) = ( 0.000000 0.000000 1.296833 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.375820 -0.000000 ) b(2) = ( 0.000000 1.068289 -0.000000 ) b(3) = ( 0.000000 0.000000 0.771109 ) PseudoPot. # 1 for Al read from file: /home/autes/Pseudo/Al.rel-pbe-nl-rrkjus_psl.1.0.0.UPF MD5 check sum: d18dd1d035d87b93e5ebab176be81bd5 Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1135 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for N read from file: /home/autes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 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 Al 3.00 26.98150 Al( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 584 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 2) = ( 0.0052096 0.0075232 -0.0000000), wk = 0.0017123 k( 3) = ( 0.0104191 0.0150463 -0.0000000), wk = 0.0017123 k( 4) = ( 0.0156287 0.0225695 -0.0000000), wk = 0.0017123 k( 5) = ( 0.0208382 0.0300926 -0.0000000), wk = 0.0017123 k( 6) = ( 0.0260478 0.0376158 -0.0000000), wk = 0.0017123 k( 7) = ( 0.0312573 0.0451390 -0.0000000), wk = 0.0017123 k( 8) = ( 0.0364669 0.0526621 -0.0000000), wk = 0.0017123 k( 9) = ( 0.0416764 0.0601853 -0.0000000), wk = 0.0017123 k( 10) = ( 0.0468860 0.0677084 -0.0000000), wk = 0.0017123 k( 11) = ( 0.0520955 0.0752316 -0.0000000), wk = 0.0017123 k( 12) = ( 0.0573051 0.0827548 -0.0000000), wk = 0.0017123 k( 13) = ( 0.0625146 0.0902779 -0.0000000), wk = 0.0017123 k( 14) = ( 0.0677242 0.0978011 -0.0000000), wk = 0.0017123 k( 15) = ( 0.0729337 0.1053242 -0.0000000), wk = 0.0017123 k( 16) = ( 0.0781433 0.1128474 -0.0000000), wk = 0.0017123 k( 17) = ( 0.0833528 0.1203706 -0.0000000), wk = 0.0017123 k( 18) = ( 0.0885624 0.1278937 -0.0000000), wk = 0.0017123 k( 19) = ( 0.0937719 0.1354169 -0.0000000), wk = 0.0017123 k( 20) = ( 0.0989815 0.1429400 -0.0000000), wk = 0.0017123 k( 21) = ( 0.1041910 0.1504632 -0.0000000), wk = 0.0017123 k( 22) = ( 0.1094006 0.1579864 -0.0000000), wk = 0.0017123 k( 23) = ( 0.1146101 0.1655095 -0.0000000), wk = 0.0017123 k( 24) = ( 0.1198197 0.1730327 -0.0000000), wk = 0.0017123 k( 25) = ( 0.1250293 0.1805558 -0.0000000), wk = 0.0017123 k( 26) = ( 0.1302388 0.1880790 -0.0000000), wk = 0.0017123 k( 27) = ( 0.1354483 0.1956021 -0.0000000), wk = 0.0017123 k( 28) = ( 0.1406579 0.2031253 -0.0000000), wk = 0.0017123 k( 29) = ( 0.1458675 0.2106485 -0.0000000), wk = 0.0017123 k( 30) = ( 0.1510770 0.2181716 -0.0000000), wk = 0.0017123 k( 31) = ( 0.1562866 0.2256948 -0.0000000), wk = 0.0017123 k( 32) = ( 0.1614961 0.2332179 -0.0000000), wk = 0.0017123 k( 33) = ( 0.1667057 0.2407411 -0.0000000), wk = 0.0017123 k( 34) = ( 0.1719152 0.2482643 -0.0000000), wk = 0.0017123 k( 35) = ( 0.1771248 0.2557874 -0.0000000), wk = 0.0017123 k( 36) = ( 0.1823343 0.2633106 -0.0000000), wk = 0.0017123 k( 37) = ( 0.1875439 0.2708337 -0.0000000), wk = 0.0017123 k( 38) = ( 0.1927534 0.2783569 -0.0000000), wk = 0.0017123 k( 39) = ( 0.1979630 0.2858801 -0.0000000), wk = 0.0017123 k( 40) = ( 0.2031725 0.2934032 -0.0000000), wk = 0.0017123 k( 41) = ( 0.2083821 0.3009264 -0.0000000), wk = 0.0017123 k( 42) = ( 0.2135916 0.3084495 -0.0000000), wk = 0.0017123 k( 43) = ( 0.2188012 0.3159727 -0.0000000), wk = 0.0017123 k( 44) = ( 0.2240107 0.3234959 -0.0000000), wk = 0.0017123 k( 45) = ( 0.2292203 0.3310190 -0.0000000), wk = 0.0017123 k( 46) = ( 0.2344298 0.3385422 -0.0000000), wk = 0.0017123 k( 47) = ( 0.2396394 0.3460654 -0.0000000), wk = 0.0017123 k( 48) = ( 0.2448490 0.3535885 -0.0000000), wk = 0.0017123 k( 49) = ( 0.2500585 0.3611117 -0.0000000), wk = 0.0017123 k( 50) = ( 0.2552681 0.3686348 -0.0000000), wk = 0.0017123 k( 51) = ( 0.2604776 0.3761580 -0.0000000), wk = 0.0017123 k( 52) = ( 0.2656872 0.3836812 -0.0000000), wk = 0.0017123 k( 53) = ( 0.2708967 0.3912043 -0.0000000), wk = 0.0017123 k( 54) = ( 0.2761063 0.3987275 -0.0000000), wk = 0.0017123 k( 55) = ( 0.2813158 0.4062506 -0.0000000), wk = 0.0017123 k( 56) = ( 0.2865254 0.4137738 -0.0000000), wk = 0.0017123 k( 57) = ( 0.2917349 0.4212970 -0.0000000), wk = 0.0017123 k( 58) = ( 0.2969445 0.4288201 -0.0000000), wk = 0.0017123 k( 59) = ( 0.3021540 0.4363433 -0.0000000), wk = 0.0017123 k( 60) = ( 0.3073636 0.4438664 -0.0000000), wk = 0.0017123 k( 61) = ( 0.3125731 0.4513896 -0.0000000), wk = 0.0017123 k( 62) = ( 0.3177827 0.4589128 -0.0000000), wk = 0.0017123 k( 63) = ( 0.3229922 0.4664359 -0.0000000), wk = 0.0017123 k( 64) = ( 0.3282018 0.4739591 -0.0000000), wk = 0.0017123 k( 65) = ( 0.3334113 0.4814822 -0.0000000), wk = 0.0017123 k( 66) = ( 0.3386209 0.4890054 -0.0000000), wk = 0.0017123 k( 67) = ( 0.3438304 0.4965286 -0.0000000), wk = 0.0017123 k( 68) = ( 0.3490400 0.5040517 -0.0000000), wk = 0.0017123 k( 69) = ( 0.3542495 0.5115749 -0.0000000), wk = 0.0017123 k( 70) = ( 0.3594591 0.5190980 -0.0000000), wk = 0.0017123 k( 71) = ( 0.3646686 0.5266212 -0.0000000), wk = 0.0017123 k( 72) = ( 0.3698782 0.5341443 -0.0000000), wk = 0.0017123 k( 73) = ( 0.3698782 0.5341443 -0.0000000), wk = 0.0017123 k( 74) = ( 0.3606312 0.5341443 -0.0000000), wk = 0.0017123 k( 75) = ( 0.3513843 0.5341443 -0.0000000), wk = 0.0017123 k( 76) = ( 0.3421373 0.5341443 -0.0000000), wk = 0.0017123 k( 77) = ( 0.3328904 0.5341443 -0.0000000), wk = 0.0017123 k( 78) = ( 0.3236434 0.5341443 -0.0000000), wk = 0.0017123 k( 79) = ( 0.3143965 0.5341443 -0.0000000), wk = 0.0017123 k( 80) = ( 0.3051495 0.5341443 -0.0000000), wk = 0.0017123 k( 81) = ( 0.2959026 0.5341443 -0.0000000), wk = 0.0017123 k( 82) = ( 0.2866556 0.5341443 -0.0000000), wk = 0.0017123 k( 83) = ( 0.2774086 0.5341443 -0.0000000), wk = 0.0017123 k( 84) = ( 0.2681617 0.5341443 -0.0000000), wk = 0.0017123 k( 85) = ( 0.2589147 0.5341443 -0.0000000), wk = 0.0017123 k( 86) = ( 0.2496678 0.5341443 -0.0000000), wk = 0.0017123 k( 87) = ( 0.2404208 0.5341443 -0.0000000), wk = 0.0017123 k( 88) = ( 0.2311739 0.5341443 -0.0000000), wk = 0.0017123 k( 89) = ( 0.2219269 0.5341443 -0.0000000), wk = 0.0017123 k( 90) = ( 0.2126800 0.5341443 -0.0000000), wk = 0.0017123 k( 91) = ( 0.2034330 0.5341443 -0.0000000), wk = 0.0017123 k( 92) = ( 0.1941860 0.5341443 -0.0000000), wk = 0.0017123 k( 93) = ( 0.1849391 0.5341443 -0.0000000), wk = 0.0017123 k( 94) = ( 0.1756921 0.5341443 -0.0000000), wk = 0.0017123 k( 95) = ( 0.1664452 0.5341443 -0.0000000), wk = 0.0017123 k( 96) = ( 0.1571982 0.5341443 -0.0000000), wk = 0.0017123 k( 97) = ( 0.1479513 0.5341443 -0.0000000), wk = 0.0017123 k( 98) = ( 0.1387043 0.5341443 -0.0000000), wk = 0.0017123 k( 99) = ( 0.1294574 0.5341443 -0.0000000), wk = 0.0017123 k( 100) = ( 0.1202104 0.5341443 -0.0000000), wk = 0.0017123 k( 101) = ( 0.1109635 0.5341443 -0.0000000), wk = 0.0017123 k( 102) = ( 0.1017165 0.5341443 -0.0000000), wk = 0.0017123 k( 103) = ( 0.0924695 0.5341443 -0.0000000), wk = 0.0017123 k( 104) = ( 0.0832226 0.5341443 -0.0000000), wk = 0.0017123 k( 105) = ( 0.0739756 0.5341443 -0.0000000), wk = 0.0017123 k( 106) = ( 0.0647287 0.5341443 -0.0000000), wk = 0.0017123 k( 107) = ( 0.0554817 0.5341443 -0.0000000), wk = 0.0017123 k( 108) = ( 0.0462348 0.5341443 -0.0000000), wk = 0.0017123 k( 109) = ( 0.0369878 0.5341443 -0.0000000), wk = 0.0017123 k( 110) = ( 0.0277409 0.5341443 -0.0000000), wk = 0.0017123 k( 111) = ( 0.0184939 0.5341443 -0.0000000), wk = 0.0017123 k( 112) = ( 0.0092470 0.5341443 -0.0000000), wk = 0.0017123 k( 113) = ( 0.0000000 0.5341443 -0.0000000), wk = 0.0017123 k( 114) = ( 0.0000000 0.5341443 -0.0000000), wk = 0.0017123 k( 115) = ( 0.0000000 0.5341443 0.0091799), wk = 0.0017123 k( 116) = ( 0.0000000 0.5341443 0.0183597), wk = 0.0017123 k( 117) = ( 0.0000000 0.5341443 0.0275396), wk = 0.0017123 k( 118) = ( 0.0000000 0.5341443 0.0367195), wk = 0.0017123 k( 119) = ( 0.0000000 0.5341443 0.0458994), wk = 0.0017123 k( 120) = ( 0.0000000 0.5341443 0.0550792), wk = 0.0017123 k( 121) = ( 0.0000000 0.5341443 0.0642591), wk = 0.0017123 k( 122) = ( 0.0000000 0.5341443 0.0734390), wk = 0.0017123 k( 123) = ( 0.0000000 0.5341443 0.0826189), wk = 0.0017123 k( 124) = ( 0.0000000 0.5341443 0.0917987), wk = 0.0017123 k( 125) = ( 0.0000000 0.5341443 0.1009786), wk = 0.0017123 k( 126) = ( 0.0000000 0.5341443 0.1101585), wk = 0.0017123 k( 127) = ( 0.0000000 0.5341443 0.1193383), wk = 0.0017123 k( 128) = ( 0.0000000 0.5341443 0.1285182), wk = 0.0017123 k( 129) = ( 0.0000000 0.5341443 0.1376981), wk = 0.0017123 k( 130) = ( 0.0000000 0.5341443 0.1468780), wk = 0.0017123 k( 131) = ( 0.0000000 0.5341443 0.1560578), wk = 0.0017123 k( 132) = ( 0.0000000 0.5341443 0.1652377), wk = 0.0017123 k( 133) = ( 0.0000000 0.5341443 0.1744176), wk = 0.0017123 k( 134) = ( 0.0000000 0.5341443 0.1835974), wk = 0.0017123 k( 135) = ( 0.0000000 0.5341443 0.1927773), wk = 0.0017123 k( 136) = ( 0.0000000 0.5341443 0.2019572), wk = 0.0017123 k( 137) = ( 0.0000000 0.5341443 0.2111371), wk = 0.0017123 k( 138) = ( 0.0000000 0.5341443 0.2203169), wk = 0.0017123 k( 139) = ( 0.0000000 0.5341443 0.2294968), wk = 0.0017123 k( 140) = ( 0.0000000 0.5341443 0.2386767), wk = 0.0017123 k( 141) = ( 0.0000000 0.5341443 0.2478565), wk = 0.0017123 k( 142) = ( 0.0000000 0.5341443 0.2570364), wk = 0.0017123 k( 143) = ( 0.0000000 0.5341443 0.2662163), wk = 0.0017123 k( 144) = ( 0.0000000 0.5341443 0.2753962), wk = 0.0017123 k( 145) = ( 0.0000000 0.5341443 0.2845760), wk = 0.0017123 k( 146) = ( 0.0000000 0.5341443 0.2937559), wk = 0.0017123 k( 147) = ( 0.0000000 0.5341443 0.3029358), wk = 0.0017123 k( 148) = ( 0.0000000 0.5341443 0.3121156), wk = 0.0017123 k( 149) = ( 0.0000000 0.5341443 0.3212955), wk = 0.0017123 k( 150) = ( 0.0000000 0.5341443 0.3304754), wk = 0.0017123 k( 151) = ( 0.0000000 0.5341443 0.3396553), wk = 0.0017123 k( 152) = ( 0.0000000 0.5341443 0.3488351), wk = 0.0017123 k( 153) = ( 0.0000000 0.5341443 0.3580150), wk = 0.0017123 k( 154) = ( 0.0000000 0.5341443 0.3671949), wk = 0.0017123 k( 155) = ( 0.0000000 0.5341443 0.3763748), wk = 0.0017123 k( 156) = ( 0.0000000 0.5341443 0.3855546), wk = 0.0017123 k( 157) = ( 0.0000000 0.5341443 0.3855546), wk = 0.0017123 k( 158) = ( 0.0092470 0.5341443 0.3855546), wk = 0.0017123 k( 159) = ( 0.0184939 0.5341443 0.3855546), wk = 0.0017123 k( 160) = ( 0.0277409 0.5341443 0.3855546), wk = 0.0017123 k( 161) = ( 0.0369878 0.5341443 0.3855546), wk = 0.0017123 k( 162) = ( 0.0462348 0.5341443 0.3855546), wk = 0.0017123 k( 163) = ( 0.0554817 0.5341443 0.3855546), wk = 0.0017123 k( 164) = ( 0.0647287 0.5341443 0.3855546), wk = 0.0017123 k( 165) = ( 0.0739756 0.5341443 0.3855546), wk = 0.0017123 k( 166) = ( 0.0832226 0.5341443 0.3855546), wk = 0.0017123 k( 167) = ( 0.0924695 0.5341443 0.3855546), wk = 0.0017123 k( 168) = ( 0.1017165 0.5341443 0.3855546), wk = 0.0017123 k( 169) = ( 0.1109635 0.5341443 0.3855546), wk = 0.0017123 k( 170) = ( 0.1202104 0.5341443 0.3855546), wk = 0.0017123 k( 171) = ( 0.1294574 0.5341443 0.3855546), wk = 0.0017123 k( 172) = ( 0.1387043 0.5341443 0.3855546), wk = 0.0017123 k( 173) = ( 0.1479513 0.5341443 0.3855546), wk = 0.0017123 k( 174) = ( 0.1571982 0.5341443 0.3855546), wk = 0.0017123 k( 175) = ( 0.1664452 0.5341443 0.3855546), wk = 0.0017123 k( 176) = ( 0.1756921 0.5341443 0.3855546), wk = 0.0017123 k( 177) = ( 0.1849391 0.5341443 0.3855546), wk = 0.0017123 k( 178) = ( 0.1941860 0.5341443 0.3855546), wk = 0.0017123 k( 179) = ( 0.2034330 0.5341443 0.3855546), wk = 0.0017123 k( 180) = ( 0.2126800 0.5341443 0.3855546), wk = 0.0017123 k( 181) = ( 0.2219269 0.5341443 0.3855546), wk = 0.0017123 k( 182) = ( 0.2311739 0.5341443 0.3855546), wk = 0.0017123 k( 183) = ( 0.2404208 0.5341443 0.3855546), wk = 0.0017123 k( 184) = ( 0.2496678 0.5341443 0.3855546), wk = 0.0017123 k( 185) = ( 0.2589147 0.5341443 0.3855546), wk = 0.0017123 k( 186) = ( 0.2681617 0.5341443 0.3855546), wk = 0.0017123 k( 187) = ( 0.2774086 0.5341443 0.3855546), wk = 0.0017123 k( 188) = ( 0.2866556 0.5341443 0.3855546), wk = 0.0017123 k( 189) = ( 0.2959026 0.5341443 0.3855546), wk = 0.0017123 k( 190) = ( 0.3051495 0.5341443 0.3855546), wk = 0.0017123 k( 191) = ( 0.3143965 0.5341443 0.3855546), wk = 0.0017123 k( 192) = ( 0.3236434 0.5341443 0.3855546), wk = 0.0017123 k( 193) = ( 0.3328904 0.5341443 0.3855546), wk = 0.0017123 k( 194) = ( 0.3421373 0.5341443 0.3855546), wk = 0.0017123 k( 195) = ( 0.3513843 0.5341443 0.3855546), wk = 0.0017123 k( 196) = ( 0.3606312 0.5341443 0.3855546), wk = 0.0017123 k( 197) = ( 0.3698782 0.5341443 0.3855546), wk = 0.0017123 k( 198) = ( 0.3698782 0.5341443 0.3855546), wk = 0.0017123 k( 199) = ( 0.3646686 0.5266212 0.3855546), wk = 0.0017123 k( 200) = ( 0.3594591 0.5190980 0.3855546), wk = 0.0017123 k( 201) = ( 0.3542495 0.5115749 0.3855546), wk = 0.0017123 k( 202) = ( 0.3490400 0.5040517 0.3855546), wk = 0.0017123 k( 203) = ( 0.3438304 0.4965286 0.3855546), wk = 0.0017123 k( 204) = ( 0.3386209 0.4890054 0.3855546), wk = 0.0017123 k( 205) = ( 0.3334113 0.4814822 0.3855546), wk = 0.0017123 k( 206) = ( 0.3282018 0.4739591 0.3855546), wk = 0.0017123 k( 207) = ( 0.3229922 0.4664359 0.3855546), wk = 0.0017123 k( 208) = ( 0.3177827 0.4589128 0.3855546), wk = 0.0017123 k( 209) = ( 0.3125731 0.4513896 0.3855546), wk = 0.0017123 k( 210) = ( 0.3073636 0.4438664 0.3855546), wk = 0.0017123 k( 211) = ( 0.3021540 0.4363433 0.3855546), wk = 0.0017123 k( 212) = ( 0.2969445 0.4288201 0.3855546), wk = 0.0017123 k( 213) = ( 0.2917349 0.4212970 0.3855546), wk = 0.0017123 k( 214) = ( 0.2865254 0.4137738 0.3855546), wk = 0.0017123 k( 215) = ( 0.2813158 0.4062506 0.3855546), wk = 0.0017123 k( 216) = ( 0.2761063 0.3987275 0.3855546), wk = 0.0017123 k( 217) = ( 0.2708967 0.3912043 0.3855546), wk = 0.0017123 k( 218) = ( 0.2656872 0.3836812 0.3855546), wk = 0.0017123 k( 219) = ( 0.2604776 0.3761580 0.3855546), wk = 0.0017123 k( 220) = ( 0.2552681 0.3686348 0.3855546), wk = 0.0017123 k( 221) = ( 0.2500585 0.3611117 0.3855546), wk = 0.0017123 k( 222) = ( 0.2448490 0.3535885 0.3855546), wk = 0.0017123 k( 223) = ( 0.2396394 0.3460654 0.3855546), wk = 0.0017123 k( 224) = ( 0.2344298 0.3385422 0.3855546), wk = 0.0017123 k( 225) = ( 0.2292203 0.3310190 0.3855546), wk = 0.0017123 k( 226) = ( 0.2240107 0.3234959 0.3855546), wk = 0.0017123 k( 227) = ( 0.2188012 0.3159727 0.3855546), wk = 0.0017123 k( 228) = ( 0.2135916 0.3084495 0.3855546), wk = 0.0017123 k( 229) = ( 0.2083821 0.3009264 0.3855546), wk = 0.0017123 k( 230) = ( 0.2031725 0.2934032 0.3855546), wk = 0.0017123 k( 231) = ( 0.1979630 0.2858801 0.3855546), wk = 0.0017123 k( 232) = ( 0.1927534 0.2783569 0.3855546), wk = 0.0017123 k( 233) = ( 0.1875439 0.2708337 0.3855546), wk = 0.0017123 k( 234) = ( 0.1823343 0.2633106 0.3855546), wk = 0.0017123 k( 235) = ( 0.1771248 0.2557874 0.3855546), wk = 0.0017123 k( 236) = ( 0.1719152 0.2482643 0.3855546), wk = 0.0017123 k( 237) = ( 0.1667057 0.2407411 0.3855546), wk = 0.0017123 k( 238) = ( 0.1614961 0.2332179 0.3855546), wk = 0.0017123 k( 239) = ( 0.1562866 0.2256948 0.3855546), wk = 0.0017123 k( 240) = ( 0.1510770 0.2181716 0.3855546), wk = 0.0017123 k( 241) = ( 0.1458675 0.2106485 0.3855546), wk = 0.0017123 k( 242) = ( 0.1406579 0.2031253 0.3855546), wk = 0.0017123 k( 243) = ( 0.1354483 0.1956021 0.3855546), wk = 0.0017123 k( 244) = ( 0.1302388 0.1880790 0.3855546), wk = 0.0017123 k( 245) = ( 0.1250293 0.1805558 0.3855546), wk = 0.0017123 k( 246) = ( 0.1198197 0.1730327 0.3855546), wk = 0.0017123 k( 247) = ( 0.1146101 0.1655095 0.3855546), wk = 0.0017123 k( 248) = ( 0.1094006 0.1579864 0.3855546), wk = 0.0017123 k( 249) = ( 0.1041910 0.1504632 0.3855546), wk = 0.0017123 k( 250) = ( 0.0989815 0.1429400 0.3855546), wk = 0.0017123 k( 251) = ( 0.0937719 0.1354169 0.3855546), wk = 0.0017123 k( 252) = ( 0.0885624 0.1278937 0.3855546), wk = 0.0017123 k( 253) = ( 0.0833528 0.1203706 0.3855546), wk = 0.0017123 k( 254) = ( 0.0781433 0.1128474 0.3855546), wk = 0.0017123 k( 255) = ( 0.0729337 0.1053242 0.3855546), wk = 0.0017123 k( 256) = ( 0.0677242 0.0978011 0.3855546), wk = 0.0017123 k( 257) = ( 0.0625146 0.0902779 0.3855546), wk = 0.0017123 k( 258) = ( 0.0573051 0.0827548 0.3855546), wk = 0.0017123 k( 259) = ( 0.0520955 0.0752316 0.3855546), wk = 0.0017123 k( 260) = ( 0.0468860 0.0677084 0.3855546), wk = 0.0017123 k( 261) = ( 0.0416764 0.0601853 0.3855546), wk = 0.0017123 k( 262) = ( 0.0364669 0.0526621 0.3855546), wk = 0.0017123 k( 263) = ( 0.0312573 0.0451390 0.3855546), wk = 0.0017123 k( 264) = ( 0.0260478 0.0376158 0.3855546), wk = 0.0017123 k( 265) = ( 0.0208382 0.0300926 0.3855546), wk = 0.0017123 k( 266) = ( 0.0156287 0.0225695 0.3855546), wk = 0.0017123 k( 267) = ( 0.0104191 0.0150463 0.3855546), wk = 0.0017123 k( 268) = ( 0.0052096 0.0075232 0.3855546), wk = 0.0017123 k( 269) = ( 0.0000000 0.0000000 0.3855546), wk = 0.0017123 k( 270) = ( 0.0000000 0.0000000 0.3855546), wk = 0.0017123 k( 271) = ( 0.0000000 0.0000000 0.3763748), wk = 0.0017123 k( 272) = ( 0.0000000 0.0000000 0.3671949), wk = 0.0017123 k( 273) = ( 0.0000000 0.0000000 0.3580150), wk = 0.0017123 k( 274) = ( 0.0000000 0.0000000 0.3488351), wk = 0.0017123 k( 275) = ( 0.0000000 0.0000000 0.3396553), wk = 0.0017123 k( 276) = ( 0.0000000 0.0000000 0.3304754), wk = 0.0017123 k( 277) = ( 0.0000000 0.0000000 0.3212955), wk = 0.0017123 k( 278) = ( 0.0000000 0.0000000 0.3121156), wk = 0.0017123 k( 279) = ( 0.0000000 0.0000000 0.3029358), wk = 0.0017123 k( 280) = ( 0.0000000 0.0000000 0.2937559), wk = 0.0017123 k( 281) = ( 0.0000000 0.0000000 0.2845760), wk = 0.0017123 k( 282) = ( 0.0000000 0.0000000 0.2753962), wk = 0.0017123 k( 283) = ( 0.0000000 0.0000000 0.2662163), wk = 0.0017123 k( 284) = ( 0.0000000 0.0000000 0.2570364), wk = 0.0017123 k( 285) = ( 0.0000000 0.0000000 0.2478565), wk = 0.0017123 k( 286) = ( 0.0000000 0.0000000 0.2386767), wk = 0.0017123 k( 287) = ( 0.0000000 0.0000000 0.2294968), wk = 0.0017123 k( 288) = ( 0.0000000 0.0000000 0.2203169), wk = 0.0017123 k( 289) = ( 0.0000000 0.0000000 0.2111371), wk = 0.0017123 k( 290) = ( 0.0000000 0.0000000 0.2019572), wk = 0.0017123 k( 291) = ( 0.0000000 0.0000000 0.1927773), wk = 0.0017123 k( 292) = ( 0.0000000 0.0000000 0.1835974), wk = 0.0017123 k( 293) = ( 0.0000000 0.0000000 0.1744176), wk = 0.0017123 k( 294) = ( 0.0000000 0.0000000 0.1652377), wk = 0.0017123 k( 295) = ( 0.0000000 0.0000000 0.1560578), wk = 0.0017123 k( 296) = ( 0.0000000 0.0000000 0.1468780), wk = 0.0017123 k( 297) = ( 0.0000000 0.0000000 0.1376981), wk = 0.0017123 k( 298) = ( 0.0000000 0.0000000 0.1285182), wk = 0.0017123 k( 299) = ( 0.0000000 0.0000000 0.1193383), wk = 0.0017123 k( 300) = ( 0.0000000 0.0000000 0.1101585), wk = 0.0017123 k( 301) = ( 0.0000000 0.0000000 0.1009786), wk = 0.0017123 k( 302) = ( 0.0000000 0.0000000 0.0917987), wk = 0.0017123 k( 303) = ( 0.0000000 0.0000000 0.0826189), wk = 0.0017123 k( 304) = ( 0.0000000 0.0000000 0.0734390), wk = 0.0017123 k( 305) = ( 0.0000000 0.0000000 0.0642591), wk = 0.0017123 k( 306) = ( 0.0000000 0.0000000 0.0550792), wk = 0.0017123 k( 307) = ( 0.0000000 0.0000000 0.0458994), wk = 0.0017123 k( 308) = ( 0.0000000 0.0000000 0.0367195), wk = 0.0017123 k( 309) = ( 0.0000000 0.0000000 0.0275396), wk = 0.0017123 k( 310) = ( 0.0000000 0.0000000 0.0183597), wk = 0.0017123 k( 311) = ( 0.0000000 0.0000000 0.0091799), wk = 0.0017123 k( 312) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 313) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 314) = ( -0.0075758 0.0052460 0.0000000), wk = 0.0017123 k( 315) = ( -0.0151515 0.0104920 0.0000000), wk = 0.0017123 k( 316) = ( -0.0227273 0.0157379 0.0000000), wk = 0.0017123 k( 317) = ( -0.0303030 0.0209839 0.0000000), wk = 0.0017123 k( 318) = ( -0.0378788 0.0262299 0.0000000), wk = 0.0017123 k( 319) = ( -0.0454546 0.0314758 0.0000000), wk = 0.0017123 k( 320) = ( -0.0530303 0.0367218 0.0000000), wk = 0.0017123 k( 321) = ( -0.0606061 0.0419678 0.0000000), wk = 0.0017123 k( 322) = ( -0.0681818 0.0472138 0.0000000), wk = 0.0017123 k( 323) = ( -0.0757576 0.0524597 0.0000000), wk = 0.0017123 k( 324) = ( -0.0833333 0.0577057 0.0000000), wk = 0.0017123 k( 325) = ( -0.0909091 0.0629517 0.0000000), wk = 0.0017123 k( 326) = ( -0.0984848 0.0681977 0.0000000), wk = 0.0017123 k( 327) = ( -0.1060606 0.0734436 0.0000000), wk = 0.0017123 k( 328) = ( -0.1136364 0.0786896 0.0000000), wk = 0.0017123 k( 329) = ( -0.1212121 0.0839356 0.0000000), wk = 0.0017123 k( 330) = ( -0.1287879 0.0891816 0.0000000), wk = 0.0017123 k( 331) = ( -0.1363636 0.0944275 0.0000000), wk = 0.0017123 k( 332) = ( -0.1439394 0.0996735 0.0000000), wk = 0.0017123 k( 333) = ( -0.1515151 0.1049195 0.0000000), wk = 0.0017123 k( 334) = ( -0.1590909 0.1101655 0.0000000), wk = 0.0017123 k( 335) = ( -0.1666667 0.1154114 0.0000000), wk = 0.0017123 k( 336) = ( -0.1742424 0.1206574 0.0000000), wk = 0.0017123 k( 337) = ( -0.1818182 0.1259034 0.0000000), wk = 0.0017123 k( 338) = ( -0.1893939 0.1311494 0.0000000), wk = 0.0017123 k( 339) = ( -0.1969697 0.1363953 0.0000000), wk = 0.0017123 k( 340) = ( -0.2045454 0.1416413 0.0000000), wk = 0.0017123 k( 341) = ( -0.2121212 0.1468873 0.0000000), wk = 0.0017123 k( 342) = ( -0.2196970 0.1521333 0.0000000), wk = 0.0017123 k( 343) = ( -0.2272727 0.1573792 0.0000000), wk = 0.0017123 k( 344) = ( -0.2348485 0.1626252 0.0000000), wk = 0.0017123 k( 345) = ( -0.2424242 0.1678712 0.0000000), wk = 0.0017123 k( 346) = ( -0.2500000 0.1731172 0.0000000), wk = 0.0017123 k( 347) = ( -0.2575758 0.1783631 0.0000000), wk = 0.0017123 k( 348) = ( -0.2651515 0.1836091 0.0000000), wk = 0.0017123 k( 349) = ( -0.2727273 0.1888551 0.0000000), wk = 0.0017123 k( 350) = ( -0.2803030 0.1941011 0.0000000), wk = 0.0017123 k( 351) = ( -0.2878788 0.1993470 0.0000000), wk = 0.0017123 k( 352) = ( -0.2954545 0.2045930 0.0000000), wk = 0.0017123 k( 353) = ( -0.3030303 0.2098390 0.0000000), wk = 0.0017123 k( 354) = ( -0.3106061 0.2150849 0.0000000), wk = 0.0017123 k( 355) = ( -0.3181818 0.2203309 0.0000000), wk = 0.0017123 k( 356) = ( -0.3257576 0.2255769 0.0000000), wk = 0.0017123 k( 357) = ( -0.3333333 0.2308229 0.0000000), wk = 0.0017123 k( 358) = ( -0.3409091 0.2360688 0.0000000), wk = 0.0017123 k( 359) = ( -0.3484849 0.2413148 0.0000000), wk = 0.0017123 k( 360) = ( -0.3560606 0.2465608 0.0000000), wk = 0.0017123 k( 361) = ( -0.3636364 0.2518068 0.0000000), wk = 0.0017123 k( 362) = ( -0.3712121 0.2570527 0.0000000), wk = 0.0017123 k( 363) = ( -0.3787879 0.2622987 0.0000000), wk = 0.0017123 k( 364) = ( -0.3863636 0.2675447 0.0000000), wk = 0.0017123 k( 365) = ( -0.3939394 0.2727907 0.0000000), wk = 0.0017123 k( 366) = ( -0.4015151 0.2780366 0.0000000), wk = 0.0017123 k( 367) = ( -0.4090909 0.2832826 0.0000000), wk = 0.0017123 k( 368) = ( -0.4166667 0.2885286 0.0000000), wk = 0.0017123 k( 369) = ( -0.4242424 0.2937746 0.0000000), wk = 0.0017123 k( 370) = ( -0.4318182 0.2990205 0.0000000), wk = 0.0017123 k( 371) = ( -0.4393939 0.3042665 0.0000000), wk = 0.0017123 k( 372) = ( -0.4469697 0.3095125 0.0000000), wk = 0.0017123 k( 373) = ( -0.4545455 0.3147585 0.0000000), wk = 0.0017123 k( 374) = ( -0.4621212 0.3200044 0.0000000), wk = 0.0017123 k( 375) = ( -0.4696970 0.3252504 0.0000000), wk = 0.0017123 k( 376) = ( -0.4772727 0.3304964 0.0000000), wk = 0.0017123 k( 377) = ( -0.4848485 0.3357424 0.0000000), wk = 0.0017123 k( 378) = ( -0.4924242 0.3409883 0.0000000), wk = 0.0017123 k( 379) = ( -0.5000000 0.3462343 0.0000000), wk = 0.0017123 k( 380) = ( -0.5000000 0.3462343 0.0000000), wk = 0.0017123 k( 381) = ( -0.4947951 0.3537507 -0.0000000), wk = 0.0017123 k( 382) = ( -0.4895903 0.3612671 -0.0000000), wk = 0.0017123 k( 383) = ( -0.4843854 0.3687835 -0.0000000), wk = 0.0017123 k( 384) = ( -0.4791805 0.3762999 -0.0000000), wk = 0.0017123 k( 385) = ( -0.4739756 0.3838163 -0.0000000), wk = 0.0017123 k( 386) = ( -0.4687708 0.3913327 -0.0000000), wk = 0.0017123 k( 387) = ( -0.4635659 0.3988491 -0.0000000), wk = 0.0017123 k( 388) = ( -0.4583610 0.4063655 -0.0000000), wk = 0.0017123 k( 389) = ( -0.4531561 0.4138819 -0.0000000), wk = 0.0017123 k( 390) = ( -0.4479513 0.4213983 -0.0000000), wk = 0.0017123 k( 391) = ( -0.4427464 0.4289147 -0.0000000), wk = 0.0017123 k( 392) = ( -0.4375415 0.4364311 -0.0000000), wk = 0.0017123 k( 393) = ( -0.4323367 0.4439475 -0.0000000), wk = 0.0017123 k( 394) = ( -0.4271318 0.4514639 -0.0000000), wk = 0.0017123 k( 395) = ( -0.4219269 0.4589803 -0.0000000), wk = 0.0017123 k( 396) = ( -0.4167221 0.4664967 -0.0000000), wk = 0.0017123 k( 397) = ( -0.4115172 0.4740131 -0.0000000), wk = 0.0017123 k( 398) = ( -0.4063123 0.4815295 -0.0000000), wk = 0.0017123 k( 399) = ( -0.4011074 0.4890459 -0.0000000), wk = 0.0017123 k( 400) = ( -0.3959026 0.4965623 -0.0000000), wk = 0.0017123 k( 401) = ( -0.3906977 0.5040787 -0.0000000), wk = 0.0017123 k( 402) = ( -0.3854928 0.5115951 -0.0000000), wk = 0.0017123 k( 403) = ( -0.3802879 0.5191115 -0.0000000), wk = 0.0017123 k( 404) = ( -0.3750831 0.5266279 -0.0000000), wk = 0.0017123 k( 405) = ( -0.3698782 0.5341443 -0.0000000), wk = 0.0017123 k( 406) = ( -0.3698782 0.5341443 -0.0000000), wk = 0.0017123 k( 407) = ( -0.3698782 0.5341443 0.0091799), wk = 0.0017123 k( 408) = ( -0.3698782 0.5341443 0.0183597), wk = 0.0017123 k( 409) = ( -0.3698782 0.5341443 0.0275396), wk = 0.0017123 k( 410) = ( -0.3698782 0.5341443 0.0367195), wk = 0.0017123 k( 411) = ( -0.3698782 0.5341443 0.0458994), wk = 0.0017123 k( 412) = ( -0.3698782 0.5341443 0.0550792), wk = 0.0017123 k( 413) = ( -0.3698782 0.5341443 0.0642591), wk = 0.0017123 k( 414) = ( -0.3698782 0.5341443 0.0734390), wk = 0.0017123 k( 415) = ( -0.3698782 0.5341443 0.0826189), wk = 0.0017123 k( 416) = ( -0.3698782 0.5341443 0.0917987), wk = 0.0017123 k( 417) = ( -0.3698782 0.5341443 0.1009786), wk = 0.0017123 k( 418) = ( -0.3698782 0.5341443 0.1101585), wk = 0.0017123 k( 419) = ( -0.3698782 0.5341443 0.1193383), wk = 0.0017123 k( 420) = ( -0.3698782 0.5341443 0.1285182), wk = 0.0017123 k( 421) = ( -0.3698782 0.5341443 0.1376981), wk = 0.0017123 k( 422) = ( -0.3698782 0.5341443 0.1468780), wk = 0.0017123 k( 423) = ( -0.3698782 0.5341443 0.1560578), wk = 0.0017123 k( 424) = ( -0.3698782 0.5341443 0.1652377), wk = 0.0017123 k( 425) = ( -0.3698782 0.5341443 0.1744176), wk = 0.0017123 k( 426) = ( -0.3698782 0.5341443 0.1835974), wk = 0.0017123 k( 427) = ( -0.3698782 0.5341443 0.1927773), wk = 0.0017123 k( 428) = ( -0.3698782 0.5341443 0.2019572), wk = 0.0017123 k( 429) = ( -0.3698782 0.5341443 0.2111371), wk = 0.0017123 k( 430) = ( -0.3698782 0.5341443 0.2203169), wk = 0.0017123 k( 431) = ( -0.3698782 0.5341443 0.2294968), wk = 0.0017123 k( 432) = ( -0.3698782 0.5341443 0.2386767), wk = 0.0017123 k( 433) = ( -0.3698782 0.5341443 0.2478565), wk = 0.0017123 k( 434) = ( -0.3698782 0.5341443 0.2570364), wk = 0.0017123 k( 435) = ( -0.3698782 0.5341443 0.2662163), wk = 0.0017123 k( 436) = ( -0.3698782 0.5341443 0.2753962), wk = 0.0017123 k( 437) = ( -0.3698782 0.5341443 0.2845760), wk = 0.0017123 k( 438) = ( -0.3698782 0.5341443 0.2937559), wk = 0.0017123 k( 439) = ( -0.3698782 0.5341443 0.3029358), wk = 0.0017123 k( 440) = ( -0.3698782 0.5341443 0.3121156), wk = 0.0017123 k( 441) = ( -0.3698782 0.5341443 0.3212955), wk = 0.0017123 k( 442) = ( -0.3698782 0.5341443 0.3304754), wk = 0.0017123 k( 443) = ( -0.3698782 0.5341443 0.3396553), wk = 0.0017123 k( 444) = ( -0.3698782 0.5341443 0.3488351), wk = 0.0017123 k( 445) = ( -0.3698782 0.5341443 0.3580150), wk = 0.0017123 k( 446) = ( -0.3698782 0.5341443 0.3671949), wk = 0.0017123 k( 447) = ( -0.3698782 0.5341443 0.3763748), wk = 0.0017123 k( 448) = ( -0.3698782 0.5341443 0.3855546), wk = 0.0017123 k( 449) = ( -0.3698782 0.5341443 0.3855546), wk = 0.0017123 k( 450) = ( -0.3750831 0.5266279 0.3855546), wk = 0.0017123 k( 451) = ( -0.3802879 0.5191115 0.3855546), wk = 0.0017123 k( 452) = ( -0.3854928 0.5115951 0.3855546), wk = 0.0017123 k( 453) = ( -0.3906977 0.5040787 0.3855546), wk = 0.0017123 k( 454) = ( -0.3959026 0.4965623 0.3855546), wk = 0.0017123 k( 455) = ( -0.4011074 0.4890459 0.3855546), wk = 0.0017123 k( 456) = ( -0.4063123 0.4815295 0.3855546), wk = 0.0017123 k( 457) = ( -0.4115172 0.4740131 0.3855546), wk = 0.0017123 k( 458) = ( -0.4167221 0.4664967 0.3855546), wk = 0.0017123 k( 459) = ( -0.4219269 0.4589803 0.3855546), wk = 0.0017123 k( 460) = ( -0.4271318 0.4514639 0.3855546), wk = 0.0017123 k( 461) = ( -0.4323367 0.4439475 0.3855546), wk = 0.0017123 k( 462) = ( -0.4375415 0.4364311 0.3855546), wk = 0.0017123 k( 463) = ( -0.4427464 0.4289147 0.3855546), wk = 0.0017123 k( 464) = ( -0.4479513 0.4213983 0.3855546), wk = 0.0017123 k( 465) = ( -0.4531561 0.4138819 0.3855546), wk = 0.0017123 k( 466) = ( -0.4583610 0.4063655 0.3855546), wk = 0.0017123 k( 467) = ( -0.4635659 0.3988491 0.3855546), wk = 0.0017123 k( 468) = ( -0.4687708 0.3913327 0.3855546), wk = 0.0017123 k( 469) = ( -0.4739756 0.3838163 0.3855546), wk = 0.0017123 k( 470) = ( -0.4791805 0.3762999 0.3855546), wk = 0.0017123 k( 471) = ( -0.4843854 0.3687835 0.3855546), wk = 0.0017123 k( 472) = ( -0.4895903 0.3612671 0.3855546), wk = 0.0017123 k( 473) = ( -0.4947951 0.3537507 0.3855546), wk = 0.0017123 k( 474) = ( -0.5000000 0.3462343 0.3855546), wk = 0.0017123 k( 475) = ( -0.5000000 0.3462343 0.3855546), wk = 0.0017123 k( 476) = ( -0.5000000 0.3462343 0.3763748), wk = 0.0017123 k( 477) = ( -0.5000000 0.3462343 0.3671949), wk = 0.0017123 k( 478) = ( -0.5000000 0.3462343 0.3580150), wk = 0.0017123 k( 479) = ( -0.5000000 0.3462343 0.3488351), wk = 0.0017123 k( 480) = ( -0.5000000 0.3462343 0.3396553), wk = 0.0017123 k( 481) = ( -0.5000000 0.3462343 0.3304754), wk = 0.0017123 k( 482) = ( -0.5000000 0.3462343 0.3212955), wk = 0.0017123 k( 483) = ( -0.5000000 0.3462343 0.3121156), wk = 0.0017123 k( 484) = ( -0.5000000 0.3462343 0.3029358), wk = 0.0017123 k( 485) = ( -0.5000000 0.3462343 0.2937559), wk = 0.0017123 k( 486) = ( -0.5000000 0.3462343 0.2845760), wk = 0.0017123 k( 487) = ( -0.5000000 0.3462343 0.2753962), wk = 0.0017123 k( 488) = ( -0.5000000 0.3462343 0.2662163), wk = 0.0017123 k( 489) = ( -0.5000000 0.3462343 0.2570364), wk = 0.0017123 k( 490) = ( -0.5000000 0.3462343 0.2478565), wk = 0.0017123 k( 491) = ( -0.5000000 0.3462343 0.2386767), wk = 0.0017123 k( 492) = ( -0.5000000 0.3462343 0.2294968), wk = 0.0017123 k( 493) = ( -0.5000000 0.3462343 0.2203169), wk = 0.0017123 k( 494) = ( -0.5000000 0.3462343 0.2111371), wk = 0.0017123 k( 495) = ( -0.5000000 0.3462343 0.2019572), wk = 0.0017123 k( 496) = ( -0.5000000 0.3462343 0.1927773), wk = 0.0017123 k( 497) = ( -0.5000000 0.3462343 0.1835974), wk = 0.0017123 k( 498) = ( -0.5000000 0.3462343 0.1744176), wk = 0.0017123 k( 499) = ( -0.5000000 0.3462343 0.1652377), wk = 0.0017123 k( 500) = ( -0.5000000 0.3462343 0.1560578), wk = 0.0017123 k( 501) = ( -0.5000000 0.3462343 0.1468780), wk = 0.0017123 k( 502) = ( -0.5000000 0.3462343 0.1376981), wk = 0.0017123 k( 503) = ( -0.5000000 0.3462343 0.1285182), wk = 0.0017123 k( 504) = ( -0.5000000 0.3462343 0.1193383), wk = 0.0017123 k( 505) = ( -0.5000000 0.3462343 0.1101585), wk = 0.0017123 k( 506) = ( -0.5000000 0.3462343 0.1009786), wk = 0.0017123 k( 507) = ( -0.5000000 0.3462343 0.0917987), wk = 0.0017123 k( 508) = ( -0.5000000 0.3462343 0.0826189), wk = 0.0017123 k( 509) = ( -0.5000000 0.3462343 0.0734390), wk = 0.0017123 k( 510) = ( -0.5000000 0.3462343 0.0642591), wk = 0.0017123 k( 511) = ( -0.5000000 0.3462343 0.0550792), wk = 0.0017123 k( 512) = ( -0.5000000 0.3462343 0.0458994), wk = 0.0017123 k( 513) = ( -0.5000000 0.3462343 0.0367195), wk = 0.0017123 k( 514) = ( -0.5000000 0.3462343 0.0275396), wk = 0.0017123 k( 515) = ( -0.5000000 0.3462343 0.0183597), wk = 0.0017123 k( 516) = ( -0.5000000 0.3462343 0.0091799), wk = 0.0017123 k( 517) = ( -0.5000000 0.3462343 0.0000000), wk = 0.0017123 k( 518) = ( 0.0000000 0.0000000 0.3855546), wk = 0.0017123 k( 519) = ( -0.0075758 0.0052460 0.3855546), wk = 0.0017123 k( 520) = ( -0.0151515 0.0104920 0.3855546), wk = 0.0017123 k( 521) = ( -0.0227273 0.0157379 0.3855546), wk = 0.0017123 k( 522) = ( -0.0303030 0.0209839 0.3855546), wk = 0.0017123 k( 523) = ( -0.0378788 0.0262299 0.3855546), wk = 0.0017123 k( 524) = ( -0.0454546 0.0314758 0.3855546), wk = 0.0017123 k( 525) = ( -0.0530303 0.0367218 0.3855546), wk = 0.0017123 k( 526) = ( -0.0606061 0.0419678 0.3855546), wk = 0.0017123 k( 527) = ( -0.0681818 0.0472138 0.3855546), wk = 0.0017123 k( 528) = ( -0.0757576 0.0524597 0.3855546), wk = 0.0017123 k( 529) = ( -0.0833333 0.0577057 0.3855546), wk = 0.0017123 k( 530) = ( -0.0909091 0.0629517 0.3855546), wk = 0.0017123 k( 531) = ( -0.0984848 0.0681977 0.3855546), wk = 0.0017123 k( 532) = ( -0.1060606 0.0734436 0.3855546), wk = 0.0017123 k( 533) = ( -0.1136364 0.0786896 0.3855546), wk = 0.0017123 k( 534) = ( -0.1212121 0.0839356 0.3855546), wk = 0.0017123 k( 535) = ( -0.1287879 0.0891816 0.3855546), wk = 0.0017123 k( 536) = ( -0.1363636 0.0944275 0.3855546), wk = 0.0017123 k( 537) = ( -0.1439394 0.0996735 0.3855546), wk = 0.0017123 k( 538) = ( -0.1515151 0.1049195 0.3855546), wk = 0.0017123 k( 539) = ( -0.1590909 0.1101655 0.3855546), wk = 0.0017123 k( 540) = ( -0.1666667 0.1154114 0.3855546), wk = 0.0017123 k( 541) = ( -0.1742424 0.1206574 0.3855546), wk = 0.0017123 k( 542) = ( -0.1818182 0.1259034 0.3855546), wk = 0.0017123 k( 543) = ( -0.1893939 0.1311494 0.3855546), wk = 0.0017123 k( 544) = ( -0.1969697 0.1363953 0.3855546), wk = 0.0017123 k( 545) = ( -0.2045454 0.1416413 0.3855546), wk = 0.0017123 k( 546) = ( -0.2121212 0.1468873 0.3855546), wk = 0.0017123 k( 547) = ( -0.2196970 0.1521333 0.3855546), wk = 0.0017123 k( 548) = ( -0.2272727 0.1573792 0.3855546), wk = 0.0017123 k( 549) = ( -0.2348485 0.1626252 0.3855546), wk = 0.0017123 k( 550) = ( -0.2424242 0.1678712 0.3855546), wk = 0.0017123 k( 551) = ( -0.2500000 0.1731172 0.3855546), wk = 0.0017123 k( 552) = ( -0.2575758 0.1783631 0.3855546), wk = 0.0017123 k( 553) = ( -0.2651515 0.1836091 0.3855546), wk = 0.0017123 k( 554) = ( -0.2727273 0.1888551 0.3855546), wk = 0.0017123 k( 555) = ( -0.2803030 0.1941011 0.3855546), wk = 0.0017123 k( 556) = ( -0.2878788 0.1993470 0.3855546), wk = 0.0017123 k( 557) = ( -0.2954545 0.2045930 0.3855546), wk = 0.0017123 k( 558) = ( -0.3030303 0.2098390 0.3855546), wk = 0.0017123 k( 559) = ( -0.3106061 0.2150849 0.3855546), wk = 0.0017123 k( 560) = ( -0.3181818 0.2203309 0.3855546), wk = 0.0017123 k( 561) = ( -0.3257576 0.2255769 0.3855546), wk = 0.0017123 k( 562) = ( -0.3333333 0.2308229 0.3855546), wk = 0.0017123 k( 563) = ( -0.3409091 0.2360688 0.3855546), wk = 0.0017123 k( 564) = ( -0.3484849 0.2413148 0.3855546), wk = 0.0017123 k( 565) = ( -0.3560606 0.2465608 0.3855546), wk = 0.0017123 k( 566) = ( -0.3636364 0.2518068 0.3855546), wk = 0.0017123 k( 567) = ( -0.3712121 0.2570527 0.3855546), wk = 0.0017123 k( 568) = ( -0.3787879 0.2622987 0.3855546), wk = 0.0017123 k( 569) = ( -0.3863636 0.2675447 0.3855546), wk = 0.0017123 k( 570) = ( -0.3939394 0.2727907 0.3855546), wk = 0.0017123 k( 571) = ( -0.4015151 0.2780366 0.3855546), wk = 0.0017123 k( 572) = ( -0.4090909 0.2832826 0.3855546), wk = 0.0017123 k( 573) = ( -0.4166667 0.2885286 0.3855546), wk = 0.0017123 k( 574) = ( -0.4242424 0.2937746 0.3855546), wk = 0.0017123 k( 575) = ( -0.4318182 0.2990205 0.3855546), wk = 0.0017123 k( 576) = ( -0.4393939 0.3042665 0.3855546), wk = 0.0017123 k( 577) = ( -0.4469697 0.3095125 0.3855546), wk = 0.0017123 k( 578) = ( -0.4545455 0.3147585 0.3855546), wk = 0.0017123 k( 579) = ( -0.4621212 0.3200044 0.3855546), wk = 0.0017123 k( 580) = ( -0.4696970 0.3252504 0.3855546), wk = 0.0017123 k( 581) = ( -0.4772727 0.3304964 0.3855546), wk = 0.0017123 k( 582) = ( -0.4848485 0.3357424 0.3855546), wk = 0.0017123 k( 583) = ( -0.4924242 0.3409883 0.3855546), wk = 0.0017123 k( 584) = ( -0.5000000 0.3462343 0.3855546), wk = 0.0017123 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 2) = ( 0.0052096 0.0052096 0.0000000), wk = 0.0017123 k( 3) = ( 0.0104191 0.0104191 0.0000000), wk = 0.0017123 k( 4) = ( 0.0156287 0.0156287 -0.0000000), wk = 0.0017123 k( 5) = ( 0.0208382 0.0208382 -0.0000000), wk = 0.0017123 k( 6) = ( 0.0260478 0.0260478 -0.0000000), wk = 0.0017123 k( 7) = ( 0.0312573 0.0312573 0.0000000), wk = 0.0017123 k( 8) = ( 0.0364669 0.0364669 -0.0000000), wk = 0.0017123 k( 9) = ( 0.0416764 0.0416764 -0.0000000), wk = 0.0017123 k( 10) = ( 0.0468860 0.0468860 -0.0000000), wk = 0.0017123 k( 11) = ( 0.0520955 0.0520955 -0.0000000), wk = 0.0017123 k( 12) = ( 0.0573051 0.0573051 -0.0000000), wk = 0.0017123 k( 13) = ( 0.0625146 0.0625146 0.0000000), wk = 0.0017123 k( 14) = ( 0.0677242 0.0677242 -0.0000000), wk = 0.0017123 k( 15) = ( 0.0729337 0.0729337 0.0000000), wk = 0.0017123 k( 16) = ( 0.0781433 0.0781433 -0.0000000), wk = 0.0017123 k( 17) = ( 0.0833528 0.0833528 0.0000000), wk = 0.0017123 k( 18) = ( 0.0885624 0.0885624 0.0000000), wk = 0.0017123 k( 19) = ( 0.0937719 0.0937719 -0.0000000), wk = 0.0017123 k( 20) = ( 0.0989815 0.0989815 -0.0000000), wk = 0.0017123 k( 21) = ( 0.1041910 0.1041910 -0.0000000), wk = 0.0017123 k( 22) = ( 0.1094006 0.1094006 0.0000000), wk = 0.0017123 k( 23) = ( 0.1146101 0.1146101 -0.0000000), wk = 0.0017123 k( 24) = ( 0.1198197 0.1198197 -0.0000000), wk = 0.0017123 k( 25) = ( 0.1250293 0.1250293 -0.0000000), wk = 0.0017123 k( 26) = ( 0.1302388 0.1302388 -0.0000000), wk = 0.0017123 k( 27) = ( 0.1354483 0.1354483 0.0000000), wk = 0.0017123 k( 28) = ( 0.1406579 0.1406579 -0.0000000), wk = 0.0017123 k( 29) = ( 0.1458675 0.1458675 0.0000000), wk = 0.0017123 k( 30) = ( 0.1510770 0.1510770 0.0000000), wk = 0.0017123 k( 31) = ( 0.1562866 0.1562866 -0.0000000), wk = 0.0017123 k( 32) = ( 0.1614961 0.1614961 -0.0000000), wk = 0.0017123 k( 33) = ( 0.1667057 0.1667057 -0.0000000), wk = 0.0017123 k( 34) = ( 0.1719152 0.1719152 0.0000000), wk = 0.0017123 k( 35) = ( 0.1771248 0.1771248 -0.0000000), wk = 0.0017123 k( 36) = ( 0.1823343 0.1823343 0.0000000), wk = 0.0017123 k( 37) = ( 0.1875439 0.1875439 -0.0000000), wk = 0.0017123 k( 38) = ( 0.1927534 0.1927534 -0.0000000), wk = 0.0017123 k( 39) = ( 0.1979630 0.1979630 -0.0000000), wk = 0.0017123 k( 40) = ( 0.2031725 0.2031725 0.0000000), wk = 0.0017123 k( 41) = ( 0.2083821 0.2083821 -0.0000000), wk = 0.0017123 k( 42) = ( 0.2135916 0.2135916 -0.0000000), wk = 0.0017123 k( 43) = ( 0.2188012 0.2188012 0.0000000), wk = 0.0017123 k( 44) = ( 0.2240107 0.2240107 -0.0000000), wk = 0.0017123 k( 45) = ( 0.2292203 0.2292203 -0.0000000), wk = 0.0017123 k( 46) = ( 0.2344298 0.2344298 0.0000000), wk = 0.0017123 k( 47) = ( 0.2396394 0.2396394 -0.0000000), wk = 0.0017123 k( 48) = ( 0.2448490 0.2448490 -0.0000000), wk = 0.0017123 k( 49) = ( 0.2500585 0.2500585 -0.0000000), wk = 0.0017123 k( 50) = ( 0.2552681 0.2552680 -0.0000000), wk = 0.0017123 k( 51) = ( 0.2604776 0.2604776 -0.0000000), wk = 0.0017123 k( 52) = ( 0.2656872 0.2656872 -0.0000000), wk = 0.0017123 k( 53) = ( 0.2708967 0.2708967 0.0000000), wk = 0.0017123 k( 54) = ( 0.2761063 0.2761063 0.0000000), wk = 0.0017123 k( 55) = ( 0.2813158 0.2813158 -0.0000000), wk = 0.0017123 k( 56) = ( 0.2865254 0.2865254 -0.0000000), wk = 0.0017123 k( 57) = ( 0.2917349 0.2917349 0.0000000), wk = 0.0017123 k( 58) = ( 0.2969445 0.2969445 -0.0000000), wk = 0.0017123 k( 59) = ( 0.3021540 0.3021540 0.0000000), wk = 0.0017123 k( 60) = ( 0.3073636 0.3073636 -0.0000000), wk = 0.0017123 k( 61) = ( 0.3125731 0.3125731 -0.0000000), wk = 0.0017123 k( 62) = ( 0.3177827 0.3177827 0.0000000), wk = 0.0017123 k( 63) = ( 0.3229922 0.3229922 -0.0000000), wk = 0.0017123 k( 64) = ( 0.3282018 0.3282018 -0.0000000), wk = 0.0017123 k( 65) = ( 0.3334113 0.3334113 -0.0000000), wk = 0.0017123 k( 66) = ( 0.3386209 0.3386209 -0.0000000), wk = 0.0017123 k( 67) = ( 0.3438304 0.3438304 0.0000000), wk = 0.0017123 k( 68) = ( 0.3490400 0.3490400 -0.0000000), wk = 0.0017123 k( 69) = ( 0.3542495 0.3542495 -0.0000000), wk = 0.0017123 k( 70) = ( 0.3594591 0.3594591 -0.0000000), wk = 0.0017123 k( 71) = ( 0.3646686 0.3646687 0.0000000), wk = 0.0017123 k( 72) = ( 0.3698782 0.3698782 -0.0000000), wk = 0.0017123 k( 73) = ( 0.3698782 0.3698782 -0.0000000), wk = 0.0017123 k( 74) = ( 0.3606312 0.3731312 -0.0000000), wk = 0.0017123 k( 75) = ( 0.3513843 0.3763843 0.0000000), wk = 0.0017123 k( 76) = ( 0.3421373 0.3796373 -0.0000000), wk = 0.0017123 k( 77) = ( 0.3328904 0.3828904 -0.0000000), wk = 0.0017123 k( 78) = ( 0.3236434 0.3861434 0.0000000), wk = 0.0017123 k( 79) = ( 0.3143965 0.3893965 0.0000000), wk = 0.0017123 k( 80) = ( 0.3051495 0.3926495 -0.0000000), wk = 0.0017123 k( 81) = ( 0.2959026 0.3959026 -0.0000000), wk = 0.0017123 k( 82) = ( 0.2866556 0.3991556 0.0000000), wk = 0.0017123 k( 83) = ( 0.2774086 0.4024087 0.0000000), wk = 0.0017123 k( 84) = ( 0.2681617 0.4056617 -0.0000000), wk = 0.0017123 k( 85) = ( 0.2589147 0.4089147 -0.0000000), wk = 0.0017123 k( 86) = ( 0.2496678 0.4121678 -0.0000000), wk = 0.0017123 k( 87) = ( 0.2404208 0.4154208 -0.0000000), wk = 0.0017123 k( 88) = ( 0.2311739 0.4186739 -0.0000000), wk = 0.0017123 k( 89) = ( 0.2219269 0.4219269 -0.0000000), wk = 0.0017123 k( 90) = ( 0.2126800 0.4251800 0.0000000), wk = 0.0017123 k( 91) = ( 0.2034330 0.4284330 -0.0000000), wk = 0.0017123 k( 92) = ( 0.1941860 0.4316860 0.0000000), wk = 0.0017123 k( 93) = ( 0.1849391 0.4349391 -0.0000000), wk = 0.0017123 k( 94) = ( 0.1756921 0.4381921 -0.0000000), wk = 0.0017123 k( 95) = ( 0.1664452 0.4414452 0.0000000), wk = 0.0017123 k( 96) = ( 0.1571982 0.4446982 0.0000000), wk = 0.0017123 k( 97) = ( 0.1479513 0.4479513 -0.0000000), wk = 0.0017123 k( 98) = ( 0.1387043 0.4512043 -0.0000000), wk = 0.0017123 k( 99) = ( 0.1294574 0.4544574 0.0000000), wk = 0.0017123 k( 100) = ( 0.1202104 0.4577104 -0.0000000), wk = 0.0017123 k( 101) = ( 0.1109635 0.4609635 0.0000000), wk = 0.0017123 k( 102) = ( 0.1017165 0.4642165 0.0000000), wk = 0.0017123 k( 103) = ( 0.0924695 0.4674696 -0.0000000), wk = 0.0017123 k( 104) = ( 0.0832226 0.4707226 -0.0000000), wk = 0.0017123 k( 105) = ( 0.0739756 0.4739756 0.0000000), wk = 0.0017123 k( 106) = ( 0.0647287 0.4772287 -0.0000000), wk = 0.0017123 k( 107) = ( 0.0554817 0.4804817 0.0000000), wk = 0.0017123 k( 108) = ( 0.0462348 0.4837348 -0.0000000), wk = 0.0017123 k( 109) = ( 0.0369878 0.4869878 -0.0000000), wk = 0.0017123 k( 110) = ( 0.0277409 0.4902409 -0.0000000), wk = 0.0017123 k( 111) = ( 0.0184939 0.4934939 0.0000000), wk = 0.0017123 k( 112) = ( 0.0092470 0.4967469 -0.0000000), wk = 0.0017123 k( 113) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017123 k( 114) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0017123 k( 115) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0017123 k( 116) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0017123 k( 117) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0017123 k( 118) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0017123 k( 119) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0017123 k( 120) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0017123 k( 121) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0017123 k( 122) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0017123 k( 123) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0017123 k( 124) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0017123 k( 125) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0017123 k( 126) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0017123 k( 127) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0017123 k( 128) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0017123 k( 129) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0017123 k( 130) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0017123 k( 131) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0017123 k( 132) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0017123 k( 133) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0017123 k( 134) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0017123 k( 135) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0017123 k( 136) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0017123 k( 137) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0017123 k( 138) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0017123 k( 139) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0017123 k( 140) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0017123 k( 141) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0017123 k( 142) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0017123 k( 143) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0017123 k( 144) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0017123 k( 145) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0017123 k( 146) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0017123 k( 147) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0017123 k( 148) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0017123 k( 149) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0017123 k( 150) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0017123 k( 151) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0017123 k( 152) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0017123 k( 153) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0017123 k( 154) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0017123 k( 155) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0017123 k( 156) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017123 k( 157) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0017123 k( 158) = ( 0.0092470 0.4967469 0.5000000), wk = 0.0017123 k( 159) = ( 0.0184939 0.4934939 0.5000000), wk = 0.0017123 k( 160) = ( 0.0277409 0.4902409 0.5000000), wk = 0.0017123 k( 161) = ( 0.0369878 0.4869878 0.5000000), wk = 0.0017123 k( 162) = ( 0.0462348 0.4837348 0.5000000), wk = 0.0017123 k( 163) = ( 0.0554817 0.4804817 0.5000000), wk = 0.0017123 k( 164) = ( 0.0647287 0.4772287 0.5000000), wk = 0.0017123 k( 165) = ( 0.0739756 0.4739756 0.5000000), wk = 0.0017123 k( 166) = ( 0.0832226 0.4707226 0.5000000), wk = 0.0017123 k( 167) = ( 0.0924695 0.4674696 0.5000000), wk = 0.0017123 k( 168) = ( 0.1017165 0.4642165 0.5000000), wk = 0.0017123 k( 169) = ( 0.1109635 0.4609635 0.5000000), wk = 0.0017123 k( 170) = ( 0.1202104 0.4577104 0.5000000), wk = 0.0017123 k( 171) = ( 0.1294574 0.4544574 0.5000000), wk = 0.0017123 k( 172) = ( 0.1387043 0.4512043 0.5000000), wk = 0.0017123 k( 173) = ( 0.1479513 0.4479513 0.5000000), wk = 0.0017123 k( 174) = ( 0.1571982 0.4446982 0.5000000), wk = 0.0017123 k( 175) = ( 0.1664452 0.4414452 0.5000000), wk = 0.0017123 k( 176) = ( 0.1756921 0.4381921 0.5000000), wk = 0.0017123 k( 177) = ( 0.1849391 0.4349391 0.5000000), wk = 0.0017123 k( 178) = ( 0.1941860 0.4316860 0.5000000), wk = 0.0017123 k( 179) = ( 0.2034330 0.4284330 0.5000000), wk = 0.0017123 k( 180) = ( 0.2126800 0.4251800 0.5000000), wk = 0.0017123 k( 181) = ( 0.2219269 0.4219269 0.5000000), wk = 0.0017123 k( 182) = ( 0.2311739 0.4186739 0.5000000), wk = 0.0017123 k( 183) = ( 0.2404208 0.4154208 0.5000000), wk = 0.0017123 k( 184) = ( 0.2496678 0.4121678 0.5000000), wk = 0.0017123 k( 185) = ( 0.2589147 0.4089147 0.5000000), wk = 0.0017123 k( 186) = ( 0.2681617 0.4056617 0.5000000), wk = 0.0017123 k( 187) = ( 0.2774086 0.4024087 0.5000000), wk = 0.0017123 k( 188) = ( 0.2866556 0.3991556 0.5000000), wk = 0.0017123 k( 189) = ( 0.2959026 0.3959026 0.5000000), wk = 0.0017123 k( 190) = ( 0.3051495 0.3926495 0.5000000), wk = 0.0017123 k( 191) = ( 0.3143965 0.3893965 0.5000000), wk = 0.0017123 k( 192) = ( 0.3236434 0.3861434 0.5000000), wk = 0.0017123 k( 193) = ( 0.3328904 0.3828904 0.5000000), wk = 0.0017123 k( 194) = ( 0.3421373 0.3796373 0.5000000), wk = 0.0017123 k( 195) = ( 0.3513843 0.3763843 0.5000000), wk = 0.0017123 k( 196) = ( 0.3606312 0.3731312 0.5000000), wk = 0.0017123 k( 197) = ( 0.3698782 0.3698782 0.5000000), wk = 0.0017123 k( 198) = ( 0.3698782 0.3698782 0.5000000), wk = 0.0017123 k( 199) = ( 0.3646686 0.3646687 0.5000000), wk = 0.0017123 k( 200) = ( 0.3594591 0.3594591 0.5000000), wk = 0.0017123 k( 201) = ( 0.3542495 0.3542495 0.5000000), wk = 0.0017123 k( 202) = ( 0.3490400 0.3490400 0.5000000), wk = 0.0017123 k( 203) = ( 0.3438304 0.3438304 0.5000000), wk = 0.0017123 k( 204) = ( 0.3386209 0.3386209 0.5000000), wk = 0.0017123 k( 205) = ( 0.3334113 0.3334113 0.5000000), wk = 0.0017123 k( 206) = ( 0.3282018 0.3282018 0.5000000), wk = 0.0017123 k( 207) = ( 0.3229922 0.3229922 0.5000000), wk = 0.0017123 k( 208) = ( 0.3177827 0.3177827 0.5000000), wk = 0.0017123 k( 209) = ( 0.3125731 0.3125731 0.5000000), wk = 0.0017123 k( 210) = ( 0.3073636 0.3073636 0.5000000), wk = 0.0017123 k( 211) = ( 0.3021540 0.3021540 0.5000000), wk = 0.0017123 k( 212) = ( 0.2969445 0.2969445 0.5000000), wk = 0.0017123 k( 213) = ( 0.2917349 0.2917349 0.5000000), wk = 0.0017123 k( 214) = ( 0.2865254 0.2865254 0.5000000), wk = 0.0017123 k( 215) = ( 0.2813158 0.2813158 0.5000000), wk = 0.0017123 k( 216) = ( 0.2761063 0.2761063 0.5000000), wk = 0.0017123 k( 217) = ( 0.2708967 0.2708967 0.5000000), wk = 0.0017123 k( 218) = ( 0.2656872 0.2656872 0.5000000), wk = 0.0017123 k( 219) = ( 0.2604776 0.2604776 0.5000000), wk = 0.0017123 k( 220) = ( 0.2552681 0.2552680 0.5000000), wk = 0.0017123 k( 221) = ( 0.2500585 0.2500585 0.5000000), wk = 0.0017123 k( 222) = ( 0.2448490 0.2448490 0.5000000), wk = 0.0017123 k( 223) = ( 0.2396394 0.2396394 0.5000000), wk = 0.0017123 k( 224) = ( 0.2344298 0.2344298 0.5000000), wk = 0.0017123 k( 225) = ( 0.2292203 0.2292203 0.5000000), wk = 0.0017123 k( 226) = ( 0.2240107 0.2240107 0.5000000), wk = 0.0017123 k( 227) = ( 0.2188012 0.2188012 0.5000000), wk = 0.0017123 k( 228) = ( 0.2135916 0.2135916 0.5000000), wk = 0.0017123 k( 229) = ( 0.2083821 0.2083821 0.5000000), wk = 0.0017123 k( 230) = ( 0.2031725 0.2031725 0.5000000), wk = 0.0017123 k( 231) = ( 0.1979630 0.1979630 0.5000000), wk = 0.0017123 k( 232) = ( 0.1927534 0.1927534 0.5000000), wk = 0.0017123 k( 233) = ( 0.1875439 0.1875439 0.5000000), wk = 0.0017123 k( 234) = ( 0.1823343 0.1823343 0.5000000), wk = 0.0017123 k( 235) = ( 0.1771248 0.1771248 0.5000000), wk = 0.0017123 k( 236) = ( 0.1719152 0.1719152 0.5000000), wk = 0.0017123 k( 237) = ( 0.1667057 0.1667057 0.5000000), wk = 0.0017123 k( 238) = ( 0.1614961 0.1614961 0.5000000), wk = 0.0017123 k( 239) = ( 0.1562866 0.1562866 0.5000000), wk = 0.0017123 k( 240) = ( 0.1510770 0.1510770 0.5000000), wk = 0.0017123 k( 241) = ( 0.1458675 0.1458675 0.5000000), wk = 0.0017123 k( 242) = ( 0.1406579 0.1406579 0.5000000), wk = 0.0017123 k( 243) = ( 0.1354483 0.1354483 0.5000000), wk = 0.0017123 k( 244) = ( 0.1302388 0.1302388 0.5000000), wk = 0.0017123 k( 245) = ( 0.1250293 0.1250293 0.5000000), wk = 0.0017123 k( 246) = ( 0.1198197 0.1198197 0.5000000), wk = 0.0017123 k( 247) = ( 0.1146101 0.1146101 0.5000000), wk = 0.0017123 k( 248) = ( 0.1094006 0.1094006 0.5000000), wk = 0.0017123 k( 249) = ( 0.1041910 0.1041910 0.5000000), wk = 0.0017123 k( 250) = ( 0.0989815 0.0989815 0.5000000), wk = 0.0017123 k( 251) = ( 0.0937719 0.0937719 0.5000000), wk = 0.0017123 k( 252) = ( 0.0885624 0.0885624 0.5000000), wk = 0.0017123 k( 253) = ( 0.0833528 0.0833528 0.5000000), wk = 0.0017123 k( 254) = ( 0.0781433 0.0781433 0.5000000), wk = 0.0017123 k( 255) = ( 0.0729337 0.0729337 0.5000000), wk = 0.0017123 k( 256) = ( 0.0677242 0.0677242 0.5000000), wk = 0.0017123 k( 257) = ( 0.0625146 0.0625146 0.5000000), wk = 0.0017123 k( 258) = ( 0.0573051 0.0573051 0.5000000), wk = 0.0017123 k( 259) = ( 0.0520955 0.0520955 0.5000000), wk = 0.0017123 k( 260) = ( 0.0468860 0.0468860 0.5000000), wk = 0.0017123 k( 261) = ( 0.0416764 0.0416764 0.5000000), wk = 0.0017123 k( 262) = ( 0.0364669 0.0364669 0.5000000), wk = 0.0017123 k( 263) = ( 0.0312573 0.0312573 0.5000000), wk = 0.0017123 k( 264) = ( 0.0260478 0.0260478 0.5000000), wk = 0.0017123 k( 265) = ( 0.0208382 0.0208382 0.5000000), wk = 0.0017123 k( 266) = ( 0.0156287 0.0156287 0.5000000), wk = 0.0017123 k( 267) = ( 0.0104191 0.0104191 0.5000000), wk = 0.0017123 k( 268) = ( 0.0052096 0.0052096 0.5000000), wk = 0.0017123 k( 269) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017123 k( 270) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017123 k( 271) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0017123 k( 272) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0017123 k( 273) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0017123 k( 274) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0017123 k( 275) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0017123 k( 276) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0017123 k( 277) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0017123 k( 278) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0017123 k( 279) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0017123 k( 280) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0017123 k( 281) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0017123 k( 282) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0017123 k( 283) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0017123 k( 284) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0017123 k( 285) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0017123 k( 286) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0017123 k( 287) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0017123 k( 288) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0017123 k( 289) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0017123 k( 290) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0017123 k( 291) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0017123 k( 292) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0017123 k( 293) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0017123 k( 294) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0017123 k( 295) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0017123 k( 296) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0017123 k( 297) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0017123 k( 298) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0017123 k( 299) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0017123 k( 300) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0017123 k( 301) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0017123 k( 302) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0017123 k( 303) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0017123 k( 304) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0017123 k( 305) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0017123 k( 306) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0017123 k( 307) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0017123 k( 308) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0017123 k( 309) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0017123 k( 310) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0017123 k( 311) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0017123 k( 312) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 313) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0017123 k( 314) = ( -0.0075758 0.0075758 -0.0000000), wk = 0.0017123 k( 315) = ( -0.0151515 0.0151515 -0.0000000), wk = 0.0017123 k( 316) = ( -0.0227273 0.0227273 0.0000000), wk = 0.0017123 k( 317) = ( -0.0303030 0.0303030 -0.0000000), wk = 0.0017123 k( 318) = ( -0.0378788 0.0378788 0.0000000), wk = 0.0017123 k( 319) = ( -0.0454546 0.0454546 -0.0000000), wk = 0.0017123 k( 320) = ( -0.0530303 0.0530303 0.0000000), wk = 0.0017123 k( 321) = ( -0.0606061 0.0606061 -0.0000000), wk = 0.0017123 k( 322) = ( -0.0681818 0.0681818 0.0000000), wk = 0.0017123 k( 323) = ( -0.0757576 0.0757576 0.0000000), wk = 0.0017123 k( 324) = ( -0.0833333 0.0833333 0.0000000), wk = 0.0017123 k( 325) = ( -0.0909091 0.0909091 0.0000000), wk = 0.0017123 k( 326) = ( -0.0984848 0.0984849 0.0000000), wk = 0.0017123 k( 327) = ( -0.1060606 0.1060606 0.0000000), wk = 0.0017123 k( 328) = ( -0.1136364 0.1136364 -0.0000000), wk = 0.0017123 k( 329) = ( -0.1212121 0.1212121 -0.0000000), wk = 0.0017123 k( 330) = ( -0.1287879 0.1287879 -0.0000000), wk = 0.0017123 k( 331) = ( -0.1363636 0.1363636 0.0000000), wk = 0.0017123 k( 332) = ( -0.1439394 0.1439394 -0.0000000), wk = 0.0017123 k( 333) = ( -0.1515151 0.1515151 -0.0000000), wk = 0.0017123 k( 334) = ( -0.1590909 0.1590909 -0.0000000), wk = 0.0017123 k( 335) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0017123 k( 336) = ( -0.1742424 0.1742424 -0.0000000), wk = 0.0017123 k( 337) = ( -0.1818182 0.1818182 0.0000000), wk = 0.0017123 k( 338) = ( -0.1893939 0.1893939 0.0000000), wk = 0.0017123 k( 339) = ( -0.1969697 0.1969697 0.0000000), wk = 0.0017123 k( 340) = ( -0.2045454 0.2045454 -0.0000000), wk = 0.0017123 k( 341) = ( -0.2121212 0.2121212 0.0000000), wk = 0.0017123 k( 342) = ( -0.2196970 0.2196970 -0.0000000), wk = 0.0017123 k( 343) = ( -0.2272727 0.2272727 -0.0000000), wk = 0.0017123 k( 344) = ( -0.2348485 0.2348485 -0.0000000), wk = 0.0017123 k( 345) = ( -0.2424242 0.2424242 -0.0000000), wk = 0.0017123 k( 346) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0017123 k( 347) = ( -0.2575758 0.2575758 -0.0000000), wk = 0.0017123 k( 348) = ( -0.2651515 0.2651515 -0.0000000), wk = 0.0017123 k( 349) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0017123 k( 350) = ( -0.2803030 0.2803030 -0.0000000), wk = 0.0017123 k( 351) = ( -0.2878788 0.2878788 -0.0000000), wk = 0.0017123 k( 352) = ( -0.2954545 0.2954545 0.0000000), wk = 0.0017123 k( 353) = ( -0.3030303 0.3030303 -0.0000000), wk = 0.0017123 k( 354) = ( -0.3106061 0.3106061 -0.0000000), wk = 0.0017123 k( 355) = ( -0.3181818 0.3181818 -0.0000000), wk = 0.0017123 k( 356) = ( -0.3257576 0.3257576 0.0000000), wk = 0.0017123 k( 357) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0017123 k( 358) = ( -0.3409091 0.3409091 -0.0000000), wk = 0.0017123 k( 359) = ( -0.3484849 0.3484849 0.0000000), wk = 0.0017123 k( 360) = ( -0.3560606 0.3560606 -0.0000000), wk = 0.0017123 k( 361) = ( -0.3636364 0.3636364 0.0000000), wk = 0.0017123 k( 362) = ( -0.3712121 0.3712121 -0.0000000), wk = 0.0017123 k( 363) = ( -0.3787879 0.3787879 0.0000000), wk = 0.0017123 k( 364) = ( -0.3863636 0.3863636 -0.0000000), wk = 0.0017123 k( 365) = ( -0.3939394 0.3939394 -0.0000000), wk = 0.0017123 k( 366) = ( -0.4015151 0.4015151 -0.0000000), wk = 0.0017123 k( 367) = ( -0.4090909 0.4090909 0.0000000), wk = 0.0017123 k( 368) = ( -0.4166667 0.4166667 -0.0000000), wk = 0.0017123 k( 369) = ( -0.4242424 0.4242424 0.0000000), wk = 0.0017123 k( 370) = ( -0.4318182 0.4318182 -0.0000000), wk = 0.0017123 k( 371) = ( -0.4393939 0.4393939 -0.0000000), wk = 0.0017123 k( 372) = ( -0.4469697 0.4469697 -0.0000000), wk = 0.0017123 k( 373) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0017123 k( 374) = ( -0.4621212 0.4621212 -0.0000000), wk = 0.0017123 k( 375) = ( -0.4696970 0.4696970 -0.0000000), wk = 0.0017123 k( 376) = ( -0.4772727 0.4772727 -0.0000000), wk = 0.0017123 k( 377) = ( -0.4848485 0.4848485 -0.0000000), wk = 0.0017123 k( 378) = ( -0.4924242 0.4924242 -0.0000000), wk = 0.0017123 k( 379) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0017123 k( 380) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0017123 k( 381) = ( -0.4947951 0.5052049 -0.0000000), wk = 0.0017123 k( 382) = ( -0.4895903 0.5104097 0.0000000), wk = 0.0017123 k( 383) = ( -0.4843854 0.5156146 0.0000000), wk = 0.0017123 k( 384) = ( -0.4791805 0.5208195 -0.0000000), wk = 0.0017123 k( 385) = ( -0.4739756 0.5260244 -0.0000000), wk = 0.0017123 k( 386) = ( -0.4687708 0.5312292 -0.0000000), wk = 0.0017123 k( 387) = ( -0.4635659 0.5364341 -0.0000000), wk = 0.0017123 k( 388) = ( -0.4583610 0.5416390 -0.0000000), wk = 0.0017123 k( 389) = ( -0.4531561 0.5468439 0.0000000), wk = 0.0017123 k( 390) = ( -0.4479513 0.5520487 0.0000000), wk = 0.0017123 k( 391) = ( -0.4427464 0.5572536 0.0000000), wk = 0.0017123 k( 392) = ( -0.4375415 0.5624585 -0.0000000), wk = 0.0017123 k( 393) = ( -0.4323367 0.5676633 -0.0000000), wk = 0.0017123 k( 394) = ( -0.4271318 0.5728682 -0.0000000), wk = 0.0017123 k( 395) = ( -0.4219269 0.5780731 0.0000000), wk = 0.0017123 k( 396) = ( -0.4167221 0.5832780 0.0000000), wk = 0.0017123 k( 397) = ( -0.4115172 0.5884828 -0.0000000), wk = 0.0017123 k( 398) = ( -0.4063123 0.5936877 -0.0000000), wk = 0.0017123 k( 399) = ( -0.4011074 0.5988926 0.0000000), wk = 0.0017123 k( 400) = ( -0.3959026 0.6040974 -0.0000000), wk = 0.0017123 k( 401) = ( -0.3906977 0.6093023 -0.0000000), wk = 0.0017123 k( 402) = ( -0.3854928 0.6145072 -0.0000000), wk = 0.0017123 k( 403) = ( -0.3802879 0.6197121 0.0000000), wk = 0.0017123 k( 404) = ( -0.3750831 0.6249169 0.0000000), wk = 0.0017123 k( 405) = ( -0.3698782 0.6301218 0.0000000), wk = 0.0017123 k( 406) = ( -0.3698782 0.6301218 0.0000000), wk = 0.0017123 k( 407) = ( -0.3698782 0.6301218 0.0119048), wk = 0.0017123 k( 408) = ( -0.3698782 0.6301218 0.0238095), wk = 0.0017123 k( 409) = ( -0.3698782 0.6301218 0.0357143), wk = 0.0017123 k( 410) = ( -0.3698782 0.6301218 0.0476191), wk = 0.0017123 k( 411) = ( -0.3698782 0.6301218 0.0595238), wk = 0.0017123 k( 412) = ( -0.3698782 0.6301218 0.0714286), wk = 0.0017123 k( 413) = ( -0.3698782 0.6301218 0.0833333), wk = 0.0017123 k( 414) = ( -0.3698782 0.6301218 0.0952381), wk = 0.0017123 k( 415) = ( -0.3698782 0.6301218 0.1071429), wk = 0.0017123 k( 416) = ( -0.3698782 0.6301218 0.1190476), wk = 0.0017123 k( 417) = ( -0.3698782 0.6301218 0.1309524), wk = 0.0017123 k( 418) = ( -0.3698782 0.6301218 0.1428571), wk = 0.0017123 k( 419) = ( -0.3698782 0.6301218 0.1547619), wk = 0.0017123 k( 420) = ( -0.3698782 0.6301218 0.1666667), wk = 0.0017123 k( 421) = ( -0.3698782 0.6301218 0.1785714), wk = 0.0017123 k( 422) = ( -0.3698782 0.6301218 0.1904762), wk = 0.0017123 k( 423) = ( -0.3698782 0.6301218 0.2023810), wk = 0.0017123 k( 424) = ( -0.3698782 0.6301218 0.2142857), wk = 0.0017123 k( 425) = ( -0.3698782 0.6301218 0.2261905), wk = 0.0017123 k( 426) = ( -0.3698782 0.6301218 0.2380952), wk = 0.0017123 k( 427) = ( -0.3698782 0.6301218 0.2500000), wk = 0.0017123 k( 428) = ( -0.3698782 0.6301218 0.2619048), wk = 0.0017123 k( 429) = ( -0.3698782 0.6301218 0.2738095), wk = 0.0017123 k( 430) = ( -0.3698782 0.6301218 0.2857143), wk = 0.0017123 k( 431) = ( -0.3698782 0.6301218 0.2976190), wk = 0.0017123 k( 432) = ( -0.3698782 0.6301218 0.3095238), wk = 0.0017123 k( 433) = ( -0.3698782 0.6301218 0.3214286), wk = 0.0017123 k( 434) = ( -0.3698782 0.6301218 0.3333333), wk = 0.0017123 k( 435) = ( -0.3698782 0.6301218 0.3452381), wk = 0.0017123 k( 436) = ( -0.3698782 0.6301218 0.3571429), wk = 0.0017123 k( 437) = ( -0.3698782 0.6301218 0.3690476), wk = 0.0017123 k( 438) = ( -0.3698782 0.6301218 0.3809524), wk = 0.0017123 k( 439) = ( -0.3698782 0.6301218 0.3928571), wk = 0.0017123 k( 440) = ( -0.3698782 0.6301218 0.4047619), wk = 0.0017123 k( 441) = ( -0.3698782 0.6301218 0.4166667), wk = 0.0017123 k( 442) = ( -0.3698782 0.6301218 0.4285714), wk = 0.0017123 k( 443) = ( -0.3698782 0.6301218 0.4404762), wk = 0.0017123 k( 444) = ( -0.3698782 0.6301218 0.4523809), wk = 0.0017123 k( 445) = ( -0.3698782 0.6301218 0.4642857), wk = 0.0017123 k( 446) = ( -0.3698782 0.6301218 0.4761905), wk = 0.0017123 k( 447) = ( -0.3698782 0.6301218 0.4880952), wk = 0.0017123 k( 448) = ( -0.3698782 0.6301218 0.5000000), wk = 0.0017123 k( 449) = ( -0.3698782 0.6301218 0.5000000), wk = 0.0017123 k( 450) = ( -0.3750831 0.6249169 0.5000000), wk = 0.0017123 k( 451) = ( -0.3802879 0.6197121 0.5000000), wk = 0.0017123 k( 452) = ( -0.3854928 0.6145072 0.5000000), wk = 0.0017123 k( 453) = ( -0.3906977 0.6093023 0.5000000), wk = 0.0017123 k( 454) = ( -0.3959026 0.6040974 0.5000000), wk = 0.0017123 k( 455) = ( -0.4011074 0.5988926 0.5000000), wk = 0.0017123 k( 456) = ( -0.4063123 0.5936877 0.5000000), wk = 0.0017123 k( 457) = ( -0.4115172 0.5884828 0.5000000), wk = 0.0017123 k( 458) = ( -0.4167221 0.5832780 0.5000000), wk = 0.0017123 k( 459) = ( -0.4219269 0.5780731 0.5000000), wk = 0.0017123 k( 460) = ( -0.4271318 0.5728682 0.5000000), wk = 0.0017123 k( 461) = ( -0.4323367 0.5676633 0.5000000), wk = 0.0017123 k( 462) = ( -0.4375415 0.5624585 0.5000000), wk = 0.0017123 k( 463) = ( -0.4427464 0.5572536 0.5000000), wk = 0.0017123 k( 464) = ( -0.4479513 0.5520487 0.5000000), wk = 0.0017123 k( 465) = ( -0.4531561 0.5468439 0.5000000), wk = 0.0017123 k( 466) = ( -0.4583610 0.5416390 0.5000000), wk = 0.0017123 k( 467) = ( -0.4635659 0.5364341 0.5000000), wk = 0.0017123 k( 468) = ( -0.4687708 0.5312292 0.5000000), wk = 0.0017123 k( 469) = ( -0.4739756 0.5260244 0.5000000), wk = 0.0017123 k( 470) = ( -0.4791805 0.5208195 0.5000000), wk = 0.0017123 k( 471) = ( -0.4843854 0.5156146 0.5000000), wk = 0.0017123 k( 472) = ( -0.4895903 0.5104097 0.5000000), wk = 0.0017123 k( 473) = ( -0.4947951 0.5052049 0.5000000), wk = 0.0017123 k( 474) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017123 k( 475) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017123 k( 476) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0017123 k( 477) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0017123 k( 478) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0017123 k( 479) = ( -0.5000000 0.5000000 0.4523810), wk = 0.0017123 k( 480) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0017123 k( 481) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0017123 k( 482) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0017123 k( 483) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0017123 k( 484) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0017123 k( 485) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0017123 k( 486) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0017123 k( 487) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0017123 k( 488) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0017123 k( 489) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0017123 k( 490) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0017123 k( 491) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0017123 k( 492) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0017123 k( 493) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0017123 k( 494) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0017123 k( 495) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0017123 k( 496) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0017123 k( 497) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0017123 k( 498) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0017123 k( 499) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0017123 k( 500) = ( -0.5000000 0.5000000 0.2023810), wk = 0.0017123 k( 501) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0017123 k( 502) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0017123 k( 503) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0017123 k( 504) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0017123 k( 505) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0017123 k( 506) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0017123 k( 507) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0017123 k( 508) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0017123 k( 509) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0017123 k( 510) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0017123 k( 511) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0017123 k( 512) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0017123 k( 513) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0017123 k( 514) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0017123 k( 515) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0017123 k( 516) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0017123 k( 517) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0017123 k( 518) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0017123 k( 519) = ( -0.0075758 0.0075758 0.5000000), wk = 0.0017123 k( 520) = ( -0.0151515 0.0151515 0.5000000), wk = 0.0017123 k( 521) = ( -0.0227273 0.0227273 0.5000000), wk = 0.0017123 k( 522) = ( -0.0303030 0.0303030 0.5000000), wk = 0.0017123 k( 523) = ( -0.0378788 0.0378788 0.5000000), wk = 0.0017123 k( 524) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0017123 k( 525) = ( -0.0530303 0.0530303 0.5000000), wk = 0.0017123 k( 526) = ( -0.0606061 0.0606061 0.5000000), wk = 0.0017123 k( 527) = ( -0.0681818 0.0681818 0.5000000), wk = 0.0017123 k( 528) = ( -0.0757576 0.0757576 0.5000000), wk = 0.0017123 k( 529) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0017123 k( 530) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0017123 k( 531) = ( -0.0984848 0.0984849 0.5000000), wk = 0.0017123 k( 532) = ( -0.1060606 0.1060606 0.5000000), wk = 0.0017123 k( 533) = ( -0.1136364 0.1136364 0.5000000), wk = 0.0017123 k( 534) = ( -0.1212121 0.1212121 0.5000000), wk = 0.0017123 k( 535) = ( -0.1287879 0.1287879 0.5000000), wk = 0.0017123 k( 536) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0017123 k( 537) = ( -0.1439394 0.1439394 0.5000000), wk = 0.0017123 k( 538) = ( -0.1515151 0.1515151 0.5000000), wk = 0.0017123 k( 539) = ( -0.1590909 0.1590909 0.5000000), wk = 0.0017123 k( 540) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0017123 k( 541) = ( -0.1742424 0.1742424 0.5000000), wk = 0.0017123 k( 542) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0017123 k( 543) = ( -0.1893939 0.1893939 0.5000000), wk = 0.0017123 k( 544) = ( -0.1969697 0.1969697 0.5000000), wk = 0.0017123 k( 545) = ( -0.2045454 0.2045454 0.5000000), wk = 0.0017123 k( 546) = ( -0.2121212 0.2121212 0.5000000), wk = 0.0017123 k( 547) = ( -0.2196970 0.2196970 0.5000000), wk = 0.0017123 k( 548) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0017123 k( 549) = ( -0.2348485 0.2348485 0.5000000), wk = 0.0017123 k( 550) = ( -0.2424242 0.2424242 0.5000000), wk = 0.0017123 k( 551) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0017123 k( 552) = ( -0.2575758 0.2575758 0.5000000), wk = 0.0017123 k( 553) = ( -0.2651515 0.2651515 0.5000000), wk = 0.0017123 k( 554) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0017123 k( 555) = ( -0.2803030 0.2803030 0.5000000), wk = 0.0017123 k( 556) = ( -0.2878788 0.2878788 0.5000000), wk = 0.0017123 k( 557) = ( -0.2954545 0.2954545 0.5000000), wk = 0.0017123 k( 558) = ( -0.3030303 0.3030303 0.5000000), wk = 0.0017123 k( 559) = ( -0.3106061 0.3106061 0.5000000), wk = 0.0017123 k( 560) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0017123 k( 561) = ( -0.3257576 0.3257576 0.5000000), wk = 0.0017123 k( 562) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0017123 k( 563) = ( -0.3409091 0.3409091 0.5000000), wk = 0.0017123 k( 564) = ( -0.3484849 0.3484849 0.5000000), wk = 0.0017123 k( 565) = ( -0.3560606 0.3560606 0.5000000), wk = 0.0017123 k( 566) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0017123 k( 567) = ( -0.3712121 0.3712121 0.5000000), wk = 0.0017123 k( 568) = ( -0.3787879 0.3787879 0.5000000), wk = 0.0017123 k( 569) = ( -0.3863636 0.3863636 0.5000000), wk = 0.0017123 k( 570) = ( -0.3939394 0.3939394 0.5000000), wk = 0.0017123 k( 571) = ( -0.4015151 0.4015151 0.5000000), wk = 0.0017123 k( 572) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0017123 k( 573) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0017123 k( 574) = ( -0.4242424 0.4242424 0.5000000), wk = 0.0017123 k( 575) = ( -0.4318182 0.4318182 0.5000000), wk = 0.0017123 k( 576) = ( -0.4393939 0.4393939 0.5000000), wk = 0.0017123 k( 577) = ( -0.4469697 0.4469697 0.5000000), wk = 0.0017123 k( 578) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0017123 k( 579) = ( -0.4621212 0.4621212 0.5000000), wk = 0.0017123 k( 580) = ( -0.4696970 0.4696970 0.5000000), wk = 0.0017123 k( 581) = ( -0.4772727 0.4772727 0.5000000), wk = 0.0017123 k( 582) = ( -0.4848485 0.4848485 0.5000000), wk = 0.0017123 k( 583) = ( -0.4924242 0.4924242 0.5000000), wk = 0.0017123 k( 584) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0017123 Dense grid: 19569 G-vectors FFT dimensions: ( 32, 32, 45) Smooth grid: 7889 G-vectors FFT dimensions: ( 24, 24, 32) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 48, 24) NL pseudopotentials 0.02 Mb ( 24, 56) Each V/rho on FFT grid 0.02 Mb ( 1024) Each G-vector array 0.00 Mb ( 409) G-vector shells 0.00 Mb ( 197) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.07 Mb ( 48, 96) Each subspace H/S matrix 0.14 Mb ( 96, 96) Each matrix 0.04 Mb ( 56, 2, 24) The potential is recalculated from file : ./AlN.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.1 secs Computing kpt #: 2 total cpu time spent up to now is 40.3 secs Computing kpt #: 3 total cpu time spent up to now is 40.6 secs Computing kpt #: 4 total cpu time spent up to now is 40.8 secs Computing kpt #: 5 total cpu time spent up to now is 41.1 secs Computing kpt #: 6 total cpu time spent up to now is 41.4 secs Computing kpt #: 7 total cpu time spent up to now is 41.7 secs Computing kpt #: 8 total cpu time spent up to now is 42.0 secs Computing kpt #: 9 total cpu time spent up to now is 42.3 secs Computing kpt #: 10 total cpu time spent up to now is 42.6 secs Computing kpt #: 11 total cpu time spent up to now is 42.9 secs Computing kpt #: 12 total cpu time spent up to now is 43.2 secs Computing kpt #: 13 total cpu time spent up to now is 43.6 secs Computing kpt #: 14 total cpu time spent up to now is 43.9 secs Computing kpt #: 15 total cpu time spent up to now is 44.3 secs Computing kpt #: 16 total cpu time spent up to now is 44.6 secs Computing kpt #: 17 total cpu time spent up to now is 44.9 secs Computing kpt #: 18 total cpu time spent up to now is 45.2 secs Computing kpt #: 19 total cpu time spent up to now is 45.4 secs Computing kpt #: 20 total cpu time spent up to now is 45.7 secs Computing kpt #: 21 total cpu time spent up to now is 45.9 secs Computing kpt #: 22 total cpu time spent up to now is 46.2 secs Computing kpt #: 23 total cpu time spent up to now is 46.4 secs Computing kpt #: 24 total cpu time spent up to now is 46.7 secs Computing kpt #: 25 total cpu time spent up to now is 46.9 secs Computing kpt #: 26 total cpu time spent up to now is 47.1 secs Computing kpt #: 27 total cpu time spent up to now is 47.4 secs Computing kpt #: 28 total cpu time spent up to now is 47.6 secs Computing kpt #: 29 total cpu time spent up to now is 47.8 secs Computing kpt #: 30 total cpu time spent up to now is 48.0 secs Computing kpt #: 31 total cpu time spent up to now is 48.2 secs Computing kpt #: 32 total cpu time spent up to now is 48.4 secs Computing kpt #: 33 total cpu time spent up to now is 48.6 secs Computing kpt #: 34 total cpu time spent up to now is 48.8 secs Computing kpt #: 35 total cpu time spent up to now is 49.0 secs Computing kpt #: 36 total cpu time spent up to now is 49.2 secs Computing kpt #: 37 total cpu time spent up to now is 49.4 secs Computing kpt #: 38 total cpu time spent up to now is 49.6 secs Computing kpt #: 39 total cpu time spent up to now is 49.8 secs Computing kpt #: 40 total cpu time spent up to now is 50.0 secs Computing kpt #: 41 total cpu time spent up to now is 50.2 secs Computing kpt #: 42 total cpu time spent up to now is 50.4 secs Computing kpt #: 43 total cpu time spent up to now is 50.6 secs Computing kpt #: 44 total cpu time spent up to now is 50.8 secs Computing kpt #: 45 total cpu time spent up to now is 51.1 secs Computing kpt #: 46 total cpu time spent up to now is 51.4 secs Computing kpt #: 47 total cpu time spent up to now is 51.6 secs Computing kpt #: 48 total cpu time spent up to now is 51.9 secs Computing kpt #: 49 total cpu time spent up to now is 52.1 secs Computing kpt #: 50 total cpu time spent up to now is 52.4 secs Computing kpt #: 51 total cpu time spent up to now is 52.7 secs Computing kpt #: 52 total cpu time spent up to now is 53.0 secs Computing kpt #: 53 total cpu time spent up to now is 53.3 secs Computing kpt #: 54 total cpu time spent up to now is 53.6 secs Computing kpt #: 55 total cpu time spent up to now is 53.9 secs Computing kpt #: 56 total cpu time spent up to now is 54.2 secs Computing kpt #: 57 total cpu time spent up to now is 54.4 secs Computing kpt #: 58 total cpu time spent up to now is 55.1 secs Computing kpt #: 59 total cpu time spent up to now is 55.8 secs Computing kpt #: 60 total cpu time spent up to now is 56.5 secs Computing kpt #: 61 total cpu time spent up to now is 57.1 secs Computing kpt #: 62 total cpu time spent up to now is 57.8 secs Computing kpt #: 63 total cpu time spent up to now is 58.4 secs Computing kpt #: 64 total cpu time spent up to now is 59.2 secs Computing kpt #: 65 total cpu time spent up to now is 59.9 secs Computing kpt #: 66 total cpu time spent up to now is 60.5 secs Computing kpt #: 67 total cpu time spent up to now is 60.9 secs Computing kpt #: 68 total cpu time spent up to now is 61.2 secs Computing kpt #: 69 total cpu time spent up to now is 61.5 secs Computing kpt #: 70 total cpu time spent up to now is 61.8 secs Computing kpt #: 71 total cpu time spent up to now is 62.1 secs Computing kpt #: 72 total cpu time spent up to now is 62.4 secs Computing kpt #: 73 total cpu time spent up to now is 62.7 secs Computing kpt #: 74 total cpu time spent up to now is 63.0 secs Computing kpt #: 75 total cpu time spent up to now is 63.3 secs Computing kpt #: 76 total cpu time spent up to now is 63.5 secs Computing kpt #: 77 total cpu time spent up to now is 63.9 secs Computing kpt #: 78 total cpu time spent up to now is 64.2 secs Computing kpt #: 79 total cpu time spent up to now is 64.5 secs Computing kpt #: 80 total cpu time spent up to now is 64.9 secs Computing kpt #: 81 total cpu time spent up to now is 65.2 secs Computing kpt #: 82 total cpu time spent up to now is 65.4 secs Computing kpt #: 83 total cpu time spent up to now is 65.7 secs Computing kpt #: 84 total cpu time spent up to now is 66.4 secs Computing kpt #: 85 total cpu time spent up to now is 66.6 secs Computing kpt #: 86 total cpu time spent up to now is 66.9 secs Computing kpt #: 87 total cpu time spent up to now is 67.1 secs Computing kpt #: 88 total cpu time spent up to now is 68.1 secs Computing kpt #: 89 total cpu time spent up to now is 68.6 secs Computing kpt #: 90 total cpu time spent up to now is 68.8 secs Computing kpt #: 91 total cpu time spent up to now is 69.0 secs Computing kpt #: 92 total cpu time spent up to now is 69.5 secs Computing kpt #: 93 total cpu time spent up to now is 69.7 secs Computing kpt #: 94 total cpu time spent up to now is 69.9 secs Computing kpt #: 95 total cpu time spent up to now is 70.2 secs Computing kpt #: 96 total cpu time spent up to now is 70.8 secs Computing kpt #: 97 total cpu time spent up to now is 71.0 secs Computing kpt #: 98 total cpu time spent up to now is 71.4 secs Computing kpt #: 99 total cpu time spent up to now is 71.6 secs Computing kpt #: 100 total cpu time spent up to now is 71.9 secs Computing kpt #: 101 total cpu time spent up to now is 72.2 secs Computing kpt #: 102 total cpu time spent up to now is 72.4 secs Computing kpt #: 103 total cpu time spent up to now is 72.7 secs Computing kpt #: 104 total cpu time spent up to now is 72.9 secs Computing kpt #: 105 total cpu time spent up to now is 73.5 secs Computing kpt #: 106 total cpu time spent up to now is 74.1 secs Computing kpt #: 107 total cpu time spent up to now is 74.6 secs Computing kpt #: 108 total cpu time spent up to now is 74.9 secs Computing kpt #: 109 total cpu time spent up to now is 75.3 secs Computing kpt #: 110 total cpu time spent up to now is 75.6 secs Computing kpt #: 111 total cpu time spent up to now is 76.0 secs Computing kpt #: 112 total cpu time spent up to now is 76.4 secs Computing kpt #: 113 total cpu time spent up to now is 76.8 secs Computing kpt #: 114 total cpu time spent up to now is 77.6 secs Computing kpt #: 115 total cpu time spent up to now is 78.2 secs Computing kpt #: 116 total cpu time spent up to now is 79.0 secs Computing kpt #: 117 total cpu time spent up to now is 79.8 secs Computing kpt #: 118 total cpu time spent up to now is 80.5 secs Computing kpt #: 119 total cpu time spent up to now is 81.3 secs Computing kpt #: 120 total cpu time spent up to now is 82.0 secs Computing kpt #: 121 total cpu time spent up to now is 82.2 secs Computing kpt #: 122 total cpu time spent up to now is 82.9 secs Computing kpt #: 123 total cpu time spent up to now is 83.5 secs Computing kpt #: 124 total cpu time spent up to now is 84.4 secs Computing kpt #: 125 total cpu time spent up to now is 85.0 secs Computing kpt #: 126 total cpu time spent up to now is 85.3 secs Computing kpt #: 127 total cpu time spent up to now is 85.5 secs Computing kpt #: 128 total cpu time spent up to now is 85.8 secs Computing kpt #: 129 total cpu time spent up to now is 86.1 secs Computing kpt #: 130 total cpu time spent up to now is 86.4 secs Computing kpt #: 131 total cpu time spent up to now is 86.7 secs Computing kpt #: 132 total cpu time spent up to now is 86.9 secs Computing kpt #: 133 total cpu time spent up to now is 87.2 secs Computing kpt #: 134 total cpu time spent up to now is 87.5 secs Computing kpt #: 135 total cpu time spent up to now is 87.7 secs Computing kpt #: 136 total cpu time spent up to now is 88.0 secs Computing kpt #: 137 total cpu time spent up to now is 88.2 secs Computing kpt #: 138 total cpu time spent up to now is 88.5 secs Computing kpt #: 139 total cpu time spent up to now is 88.7 secs Computing kpt #: 140 total cpu time spent up to now is 88.9 secs Computing kpt #: 141 total cpu time spent up to now is 89.2 secs Computing kpt #: 142 total cpu time spent up to now is 89.4 secs Computing kpt #: 143 total cpu time spent up to now is 89.6 secs Computing kpt #: 144 total cpu time spent up to now is 89.9 secs Computing kpt #: 145 total cpu time spent up to now is 90.1 secs Computing kpt #: 146 total cpu time spent up to now is 90.3 secs Computing kpt #: 147 total cpu time spent up to now is 90.6 secs Computing kpt #: 148 total cpu time spent up to now is 90.8 secs Computing kpt #: 149 total cpu time spent up to now is 91.0 secs Computing kpt #: 150 total cpu time spent up to now is 91.3 secs Computing kpt #: 151 total cpu time spent up to now is 91.5 secs Computing kpt #: 152 total cpu time spent up to now is 91.7 secs Computing kpt #: 153 total cpu time spent up to now is 91.9 secs Computing kpt #: 154 total cpu time spent up to now is 92.2 secs Computing kpt #: 155 total cpu time spent up to now is 92.4 secs Computing kpt #: 156 total cpu time spent up to now is 92.6 secs Computing kpt #: 157 total cpu time spent up to now is 92.9 secs Computing kpt #: 158 total cpu time spent up to now is 93.1 secs Computing kpt #: 159 total cpu time spent up to now is 93.3 secs Computing kpt #: 160 total cpu time spent up to now is 93.5 secs Computing kpt #: 161 total cpu time spent up to now is 93.7 secs Computing kpt #: 162 total cpu time spent up to now is 93.9 secs Computing kpt #: 163 total cpu time spent up to now is 94.1 secs Computing kpt #: 164 total cpu time spent up to now is 94.4 secs Computing kpt #: 165 total cpu time spent up to now is 94.6 secs Computing kpt #: 166 total cpu time spent up to now is 94.8 secs Computing kpt #: 167 total cpu time spent up to now is 95.0 secs Computing kpt #: 168 total cpu time spent up to now is 95.2 secs Computing kpt #: 169 total cpu time spent up to now is 95.4 secs Computing kpt #: 170 total cpu time spent up to now is 95.6 secs Computing kpt #: 171 total cpu time spent up to now is 95.8 secs Computing kpt #: 172 total cpu time spent up to now is 96.0 secs Computing kpt #: 173 total cpu time spent up to now is 96.2 secs Computing kpt #: 174 total cpu time spent up to now is 96.4 secs Computing kpt #: 175 total cpu time spent up to now is 96.6 secs Computing kpt #: 176 total cpu time spent up to now is 96.8 secs Computing kpt #: 177 total cpu time spent up to now is 97.2 secs Computing kpt #: 178 total cpu time spent up to now is 97.4 secs Computing kpt #: 179 total cpu time spent up to now is 97.6 secs Computing kpt #: 180 total cpu time spent up to now is 97.8 secs Computing kpt #: 181 total cpu time spent up to now is 98.0 secs Computing kpt #: 182 total cpu time spent up to now is 98.2 secs Computing kpt #: 183 total cpu time spent up to now is 98.4 secs Computing kpt #: 184 total cpu time spent up to now is 98.6 secs Computing kpt #: 185 total cpu time spent up to now is 98.8 secs Computing kpt #: 186 total cpu time spent up to now is 99.3 secs Computing kpt #: 187 total cpu time spent up to now is 99.8 secs Computing kpt #: 188 total cpu time spent up to now is 100.3 secs Computing kpt #: 189 total cpu time spent up to now is 101.0 secs Computing kpt #: 190 total cpu time spent up to now is 101.5 secs Computing kpt #: 191 total cpu time spent up to now is 102.0 secs Computing kpt #: 192 total cpu time spent up to now is 102.6 secs Computing kpt #: 193 total cpu time spent up to now is 103.1 secs Computing kpt #: 194 total cpu time spent up to now is 103.3 secs Computing kpt #: 195 total cpu time spent up to now is 103.5 secs Computing kpt #: 196 total cpu time spent up to now is 103.9 secs Computing kpt #: 197 total cpu time spent up to now is 104.1 secs Computing kpt #: 198 total cpu time spent up to now is 104.3 secs Computing kpt #: 199 total cpu time spent up to now is 104.6 secs Computing kpt #: 200 total cpu time spent up to now is 104.8 secs Computing kpt #: 201 total cpu time spent up to now is 105.0 secs Computing kpt #: 202 total cpu time spent up to now is 105.2 secs Computing kpt #: 203 total cpu time spent up to now is 105.6 secs Computing kpt #: 204 total cpu time spent up to now is 105.8 secs Computing kpt #: 205 total cpu time spent up to now is 106.0 secs Computing kpt #: 206 total cpu time spent up to now is 106.2 secs Computing kpt #: 207 total cpu time spent up to now is 106.5 secs Computing kpt #: 208 total cpu time spent up to now is 106.8 secs Computing kpt #: 209 total cpu time spent up to now is 107.0 secs Computing kpt #: 210 total cpu time spent up to now is 107.3 secs Computing kpt #: 211 total cpu time spent up to now is 108.0 secs Computing kpt #: 212 total cpu time spent up to now is 108.5 secs Computing kpt #: 213 total cpu time spent up to now is 109.1 secs Computing kpt #: 214 total cpu time spent up to now is 110.0 secs Computing kpt #: 215 total cpu time spent up to now is 110.4 secs Computing kpt #: 216 total cpu time spent up to now is 110.7 secs Computing kpt #: 217 total cpu time spent up to now is 111.1 secs Computing kpt #: 218 total cpu time spent up to now is 111.3 secs Computing kpt #: 219 total cpu time spent up to now is 111.6 secs Computing kpt #: 220 total cpu time spent up to now is 111.9 secs Computing kpt #: 221 total cpu time spent up to now is 112.1 secs Computing kpt #: 222 total cpu time spent up to now is 112.3 secs Computing kpt #: 223 total cpu time spent up to now is 112.5 secs Computing kpt #: 224 total cpu time spent up to now is 112.7 secs Computing kpt #: 225 total cpu time spent up to now is 112.9 secs Computing kpt #: 226 total cpu time spent up to now is 113.1 secs Computing kpt #: 227 total cpu time spent up to now is 113.3 secs Computing kpt #: 228 total cpu time spent up to now is 114.0 secs Computing kpt #: 229 total cpu time spent up to now is 114.3 secs Computing kpt #: 230 total cpu time spent up to now is 114.5 secs Computing kpt #: 231 total cpu time spent up to now is 114.8 secs Computing kpt #: 232 total cpu time spent up to now is 115.0 secs Computing kpt #: 233 total cpu time spent up to now is 115.3 secs Computing kpt #: 234 total cpu time spent up to now is 115.7 secs Computing kpt #: 235 total cpu time spent up to now is 116.0 secs Computing kpt #: 236 total cpu time spent up to now is 116.3 secs Computing kpt #: 237 total cpu time spent up to now is 117.2 secs Computing kpt #: 238 total cpu time spent up to now is 118.1 secs Computing kpt #: 239 total cpu time spent up to now is 119.2 secs Computing kpt #: 240 total cpu time spent up to now is 120.0 secs Computing kpt #: 241 total cpu time spent up to now is 120.8 secs Computing kpt #: 242 total cpu time spent up to now is 121.8 secs Computing kpt #: 243 total cpu time spent up to now is 122.5 secs Computing kpt #: 244 total cpu time spent up to now is 123.0 secs Computing kpt #: 245 total cpu time spent up to now is 123.9 secs Computing kpt #: 246 total cpu time spent up to now is 124.5 secs Computing kpt #: 247 total cpu time spent up to now is 124.9 secs Computing kpt #: 248 total cpu time spent up to now is 125.1 secs Computing kpt #: 249 total cpu time spent up to now is 126.1 secs Computing kpt #: 250 total cpu time spent up to now is 126.3 secs Computing kpt #: 251 total cpu time spent up to now is 126.5 secs Computing kpt #: 252 total cpu time spent up to now is 126.7 secs Computing kpt #: 253 total cpu time spent up to now is 126.9 secs Computing kpt #: 254 total cpu time spent up to now is 127.1 secs Computing kpt #: 255 total cpu time spent up to now is 127.3 secs Computing kpt #: 256 total cpu time spent up to now is 127.5 secs Computing kpt #: 257 total cpu time spent up to now is 127.7 secs Computing kpt #: 258 total cpu time spent up to now is 127.9 secs Computing kpt #: 259 total cpu time spent up to now is 128.1 secs Computing kpt #: 260 total cpu time spent up to now is 128.3 secs Computing kpt #: 261 total cpu time spent up to now is 128.7 secs Computing kpt #: 262 total cpu time spent up to now is 128.9 secs Computing kpt #: 263 total cpu time spent up to now is 129.1 secs Computing kpt #: 264 total cpu time spent up to now is 129.4 secs Computing kpt #: 265 total cpu time spent up to now is 129.8 secs Computing kpt #: 266 total cpu time spent up to now is 130.1 secs Computing kpt #: 267 total cpu time spent up to now is 130.3 secs Computing kpt #: 268 total cpu time spent up to now is 130.5 secs Computing kpt #: 269 total cpu time spent up to now is 130.9 secs Computing kpt #: 270 total cpu time spent up to now is 131.4 secs Computing kpt #: 271 total cpu time spent up to now is 131.6 secs Computing kpt #: 272 total cpu time spent up to now is 131.8 secs Computing kpt #: 273 total cpu time spent up to now is 132.1 secs Computing kpt #: 274 total cpu time spent up to now is 132.5 secs Computing kpt #: 275 total cpu time spent up to now is 132.8 secs Computing kpt #: 276 total cpu time spent up to now is 133.1 secs Computing kpt #: 277 total cpu time spent up to now is 133.3 secs Computing kpt #: 278 total cpu time spent up to now is 133.5 secs Computing kpt #: 279 total cpu time spent up to now is 133.8 secs Computing kpt #: 280 total cpu time spent up to now is 134.0 secs Computing kpt #: 281 total cpu time spent up to now is 134.2 secs Computing kpt #: 282 total cpu time spent up to now is 134.4 secs Computing kpt #: 283 total cpu time spent up to now is 134.9 secs Computing kpt #: 284 total cpu time spent up to now is 135.4 secs Computing kpt #: 285 total cpu time spent up to now is 136.0 secs Computing kpt #: 286 total cpu time spent up to now is 136.6 secs Computing kpt #: 287 total cpu time spent up to now is 137.2 secs Computing kpt #: 288 total cpu time spent up to now is 137.8 secs Computing kpt #: 289 total cpu time spent up to now is 138.4 secs Computing kpt #: 290 total cpu time spent up to now is 139.1 secs Computing kpt #: 291 total cpu time spent up to now is 139.8 secs Computing kpt #: 292 total cpu time spent up to now is 140.2 secs Computing kpt #: 293 total cpu time spent up to now is 140.5 secs Computing kpt #: 294 total cpu time spent up to now is 140.8 secs Computing kpt #: 295 total cpu time spent up to now is 141.1 secs Computing kpt #: 296 total cpu time spent up to now is 141.7 secs Computing kpt #: 297 total cpu time spent up to now is 142.0 secs Computing kpt #: 298 total cpu time spent up to now is 142.3 secs Computing kpt #: 299 total cpu time spent up to now is 142.5 secs Computing kpt #: 300 total cpu time spent up to now is 142.9 secs Computing kpt #: 301 total cpu time spent up to now is 143.3 secs Computing kpt #: 302 total cpu time spent up to now is 143.6 secs Computing kpt #: 303 total cpu time spent up to now is 143.9 secs Computing kpt #: 304 total cpu time spent up to now is 144.2 secs Computing kpt #: 305 total cpu time spent up to now is 144.5 secs Computing kpt #: 306 total cpu time spent up to now is 144.7 secs Computing kpt #: 307 total cpu time spent up to now is 145.0 secs Computing kpt #: 308 total cpu time spent up to now is 145.2 secs Computing kpt #: 309 total cpu time spent up to now is 145.5 secs Computing kpt #: 310 total cpu time spent up to now is 145.7 secs Computing kpt #: 311 total cpu time spent up to now is 146.0 secs Computing kpt #: 312 total cpu time spent up to now is 146.3 secs Computing kpt #: 313 total cpu time spent up to now is 146.9 secs Computing kpt #: 314 total cpu time spent up to now is 147.2 secs Computing kpt #: 315 total cpu time spent up to now is 147.6 secs Computing kpt #: 316 total cpu time spent up to now is 148.1 secs Computing kpt #: 317 total cpu time spent up to now is 148.3 secs Computing kpt #: 318 total cpu time spent up to now is 148.9 secs Computing kpt #: 319 total cpu time spent up to now is 149.3 secs Computing kpt #: 320 total cpu time spent up to now is 149.5 secs Computing kpt #: 321 total cpu time spent up to now is 149.8 secs Computing kpt #: 322 total cpu time spent up to now is 150.2 secs Computing kpt #: 323 total cpu time spent up to now is 150.5 secs Computing kpt #: 324 total cpu time spent up to now is 151.1 secs Computing kpt #: 325 total cpu time spent up to now is 151.4 secs Computing kpt #: 326 total cpu time spent up to now is 152.0 secs Computing kpt #: 327 total cpu time spent up to now is 152.4 secs Computing kpt #: 328 total cpu time spent up to now is 152.8 secs Computing kpt #: 329 total cpu time spent up to now is 153.1 secs Computing kpt #: 330 total cpu time spent up to now is 153.7 secs Computing kpt #: 331 total cpu time spent up to now is 154.3 secs Computing kpt #: 332 total cpu time spent up to now is 155.0 secs Computing kpt #: 333 total cpu time spent up to now is 155.6 secs Computing kpt #: 334 total cpu time spent up to now is 156.3 secs Computing kpt #: 335 total cpu time spent up to now is 156.9 secs Computing kpt #: 336 total cpu time spent up to now is 157.3 secs Computing kpt #: 337 total cpu time spent up to now is 157.5 secs Computing kpt #: 338 total cpu time spent up to now is 157.8 secs Computing kpt #: 339 total cpu time spent up to now is 158.1 secs Computing kpt #: 340 total cpu time spent up to now is 158.3 secs Computing kpt #: 341 total cpu time spent up to now is 158.6 secs Computing kpt #: 342 total cpu time spent up to now is 158.9 secs Computing kpt #: 343 total cpu time spent up to now is 159.2 secs Computing kpt #: 344 total cpu time spent up to now is 159.4 secs Computing kpt #: 345 total cpu time spent up to now is 159.8 secs Computing kpt #: 346 total cpu time spent up to now is 160.0 secs Computing kpt #: 347 total cpu time spent up to now is 160.5 secs Computing kpt #: 348 total cpu time spent up to now is 160.8 secs Computing kpt #: 349 total cpu time spent up to now is 161.1 secs Computing kpt #: 350 total cpu time spent up to now is 161.5 secs Computing kpt #: 351 total cpu time spent up to now is 162.2 secs Computing kpt #: 352 total cpu time spent up to now is 162.5 secs Computing kpt #: 353 total cpu time spent up to now is 162.8 secs Computing kpt #: 354 total cpu time spent up to now is 163.1 secs Computing kpt #: 355 total cpu time spent up to now is 163.4 secs Computing kpt #: 356 total cpu time spent up to now is 163.6 secs Computing kpt #: 357 total cpu time spent up to now is 163.9 secs Computing kpt #: 358 total cpu time spent up to now is 164.1 secs Computing kpt #: 359 total cpu time spent up to now is 164.4 secs Computing kpt #: 360 total cpu time spent up to now is 164.7 secs Computing kpt #: 361 total cpu time spent up to now is 165.1 secs Computing kpt #: 362 total cpu time spent up to now is 165.3 secs Computing kpt #: 363 total cpu time spent up to now is 165.5 secs Computing kpt #: 364 total cpu time spent up to now is 165.7 secs Computing kpt #: 365 total cpu time spent up to now is 165.9 secs Computing kpt #: 366 total cpu time spent up to now is 166.1 secs Computing kpt #: 367 total cpu time spent up to now is 166.3 secs Computing kpt #: 368 total cpu time spent up to now is 166.5 secs Computing kpt #: 369 total cpu time spent up to now is 166.7 secs Computing kpt #: 370 total cpu time spent up to now is 166.9 secs Computing kpt #: 371 total cpu time spent up to now is 167.0 secs Computing kpt #: 372 total cpu time spent up to now is 167.2 secs Computing kpt #: 373 total cpu time spent up to now is 167.4 secs Computing kpt #: 374 total cpu time spent up to now is 167.6 secs Computing kpt #: 375 total cpu time spent up to now is 167.8 secs Computing kpt #: 376 total cpu time spent up to now is 168.0 secs Computing kpt #: 377 total cpu time spent up to now is 168.2 secs Computing kpt #: 378 total cpu time spent up to now is 168.4 secs Computing kpt #: 379 total cpu time spent up to now is 168.6 secs Computing kpt #: 380 total cpu time spent up to now is 168.8 secs Computing kpt #: 381 total cpu time spent up to now is 169.0 secs Computing kpt #: 382 total cpu time spent up to now is 169.4 secs Computing kpt #: 383 total cpu time spent up to now is 169.7 secs Computing kpt #: 384 total cpu time spent up to now is 170.1 secs Computing kpt #: 385 total cpu time spent up to now is 170.7 secs Computing kpt #: 386 total cpu time spent up to now is 171.2 secs Computing kpt #: 387 total cpu time spent up to now is 172.1 secs Computing kpt #: 388 total cpu time spent up to now is 172.6 secs Computing kpt #: 389 total cpu time spent up to now is 173.2 secs Computing kpt #: 390 total cpu time spent up to now is 173.7 secs Computing kpt #: 391 total cpu time spent up to now is 174.3 secs Computing kpt #: 392 total cpu time spent up to now is 174.7 secs Computing kpt #: 393 total cpu time spent up to now is 174.9 secs Computing kpt #: 394 total cpu time spent up to now is 175.1 secs Computing kpt #: 395 total cpu time spent up to now is 175.3 secs Computing kpt #: 396 total cpu time spent up to now is 175.5 secs Computing kpt #: 397 total cpu time spent up to now is 175.7 secs Computing kpt #: 398 total cpu time spent up to now is 175.9 secs Computing kpt #: 399 total cpu time spent up to now is 176.1 secs Computing kpt #: 400 total cpu time spent up to now is 176.3 secs Computing kpt #: 401 total cpu time spent up to now is 176.5 secs Computing kpt #: 402 total cpu time spent up to now is 176.7 secs Computing kpt #: 403 total cpu time spent up to now is 177.0 secs Computing kpt #: 404 total cpu time spent up to now is 177.3 secs Computing kpt #: 405 total cpu time spent up to now is 177.6 secs Computing kpt #: 406 total cpu time spent up to now is 177.9 secs Computing kpt #: 407 total cpu time spent up to now is 178.3 secs Computing kpt #: 408 total cpu time spent up to now is 178.6 secs Computing kpt #: 409 total cpu time spent up to now is 179.0 secs Computing kpt #: 410 total cpu time spent up to now is 179.3 secs Computing kpt #: 411 total cpu time spent up to now is 179.6 secs Computing kpt #: 412 total cpu time spent up to now is 179.9 secs Computing kpt #: 413 total cpu time spent up to now is 180.2 secs Computing kpt #: 414 total cpu time spent up to now is 180.5 secs Computing kpt #: 415 total cpu time spent up to now is 181.0 secs Computing kpt #: 416 total cpu time spent up to now is 181.3 secs Computing kpt #: 417 total cpu time spent up to now is 181.6 secs Computing kpt #: 418 total cpu time spent up to now is 181.9 secs Computing kpt #: 419 total cpu time spent up to now is 182.3 secs Computing kpt #: 420 total cpu time spent up to now is 182.9 secs Computing kpt #: 421 total cpu time spent up to now is 183.5 secs Computing kpt #: 422 total cpu time spent up to now is 184.1 secs Computing kpt #: 423 total cpu time spent up to now is 184.4 secs Computing kpt #: 424 total cpu time spent up to now is 184.7 secs Computing kpt #: 425 total cpu time spent up to now is 185.0 secs Computing kpt #: 426 total cpu time spent up to now is 185.2 secs Computing kpt #: 427 total cpu time spent up to now is 185.5 secs Computing kpt #: 428 total cpu time spent up to now is 185.7 secs Computing kpt #: 429 total cpu time spent up to now is 185.9 secs Computing kpt #: 430 total cpu time spent up to now is 186.2 secs Computing kpt #: 431 total cpu time spent up to now is 186.4 secs Computing kpt #: 432 total cpu time spent up to now is 186.6 secs Computing kpt #: 433 total cpu time spent up to now is 186.9 secs Computing kpt #: 434 total cpu time spent up to now is 187.2 secs Computing kpt #: 435 total cpu time spent up to now is 187.4 secs Computing kpt #: 436 total cpu time spent up to now is 187.7 secs Computing kpt #: 437 total cpu time spent up to now is 187.9 secs Computing kpt #: 438 total cpu time spent up to now is 188.7 secs Computing kpt #: 439 total cpu time spent up to now is 189.3 secs Computing kpt #: 440 total cpu time spent up to now is 189.9 secs Computing kpt #: 441 total cpu time spent up to now is 190.4 secs Computing kpt #: 442 total cpu time spent up to now is 190.9 secs Computing kpt #: 443 total cpu time spent up to now is 191.5 secs Computing kpt #: 444 total cpu time spent up to now is 192.1 secs Computing kpt #: 445 total cpu time spent up to now is 192.4 secs Computing kpt #: 446 total cpu time spent up to now is 192.6 secs Computing kpt #: 447 total cpu time spent up to now is 192.9 secs Computing kpt #: 448 total cpu time spent up to now is 193.1 secs Computing kpt #: 449 total cpu time spent up to now is 193.4 secs Computing kpt #: 450 total cpu time spent up to now is 193.7 secs Computing kpt #: 451 total cpu time spent up to now is 194.0 secs Computing kpt #: 452 total cpu time spent up to now is 194.2 secs Computing kpt #: 453 total cpu time spent up to now is 194.5 secs Computing kpt #: 454 total cpu time spent up to now is 194.9 secs Computing kpt #: 455 total cpu time spent up to now is 195.1 secs Computing kpt #: 456 total cpu time spent up to now is 195.4 secs Computing kpt #: 457 total cpu time spent up to now is 195.6 secs Computing kpt #: 458 total cpu time spent up to now is 195.9 secs Computing kpt #: 459 total cpu time spent up to now is 196.1 secs Computing kpt #: 460 total cpu time spent up to now is 196.4 secs Computing kpt #: 461 total cpu time spent up to now is 196.6 secs Computing kpt #: 462 total cpu time spent up to now is 196.9 secs Computing kpt #: 463 total cpu time spent up to now is 197.1 secs Computing kpt #: 464 total cpu time spent up to now is 197.4 secs Computing kpt #: 465 total cpu time spent up to now is 197.9 secs Computing kpt #: 466 total cpu time spent up to now is 198.3 secs Computing kpt #: 467 total cpu time spent up to now is 198.6 secs Computing kpt #: 468 total cpu time spent up to now is 198.9 secs Computing kpt #: 469 total cpu time spent up to now is 199.2 secs Computing kpt #: 470 total cpu time spent up to now is 199.8 secs Computing kpt #: 471 total cpu time spent up to now is 200.1 secs Computing kpt #: 472 total cpu time spent up to now is 200.3 secs Computing kpt #: 473 total cpu time spent up to now is 200.6 secs Computing kpt #: 474 total cpu time spent up to now is 200.8 secs Computing kpt #: 475 total cpu time spent up to now is 201.1 secs Computing kpt #: 476 total cpu time spent up to now is 201.5 secs Computing kpt #: 477 total cpu time spent up to now is 201.8 secs Computing kpt #: 478 total cpu time spent up to now is 202.2 secs Computing kpt #: 479 total cpu time spent up to now is 202.8 secs Computing kpt #: 480 total cpu time spent up to now is 203.1 secs Computing kpt #: 481 total cpu time spent up to now is 203.5 secs Computing kpt #: 482 total cpu time spent up to now is 203.8 secs Computing kpt #: 483 total cpu time spent up to now is 204.1 secs Computing kpt #: 484 total cpu time spent up to now is 204.3 secs Computing kpt #: 485 total cpu time spent up to now is 204.6 secs Computing kpt #: 486 total cpu time spent up to now is 204.9 secs Computing kpt #: 487 total cpu time spent up to now is 205.6 secs Computing kpt #: 488 total cpu time spent up to now is 206.3 secs Computing kpt #: 489 total cpu time spent up to now is 207.4 secs Computing kpt #: 490 total cpu time spent up to now is 208.1 secs Computing kpt #: 491 total cpu time spent up to now is 208.7 secs Computing kpt #: 492 total cpu time spent up to now is 209.1 secs Computing kpt #: 493 total cpu time spent up to now is 209.3 secs Computing kpt #: 494 total cpu time spent up to now is 209.6 secs Computing kpt #: 495 total cpu time spent up to now is 209.8 secs Computing kpt #: 496 total cpu time spent up to now is 210.0 secs Computing kpt #: 497 total cpu time spent up to now is 210.3 secs Computing kpt #: 498 total cpu time spent up to now is 210.5 secs Computing kpt #: 499 total cpu time spent up to now is 210.7 secs Computing kpt #: 500 total cpu time spent up to now is 210.9 secs Computing kpt #: 501 total cpu time spent up to now is 211.2 secs Computing kpt #: 502 total cpu time spent up to now is 211.6 secs Computing kpt #: 503 total cpu time spent up to now is 212.0 secs Computing kpt #: 504 total cpu time spent up to now is 212.2 secs Computing kpt #: 505 total cpu time spent up to now is 212.5 secs Computing kpt #: 506 total cpu time spent up to now is 212.8 secs Computing kpt #: 507 total cpu time spent up to now is 213.0 secs Computing kpt #: 508 total cpu time spent up to now is 213.2 secs Computing kpt #: 509 total cpu time spent up to now is 213.5 secs Computing kpt #: 510 total cpu time spent up to now is 213.7 secs Computing kpt #: 511 total cpu time spent up to now is 214.0 secs Computing kpt #: 512 total cpu time spent up to now is 214.2 secs Computing kpt #: 513 total cpu time spent up to now is 214.5 secs Computing kpt #: 514 total cpu time spent up to now is 214.7 secs Computing kpt #: 515 total cpu time spent up to now is 214.9 secs Computing kpt #: 516 total cpu time spent up to now is 215.1 secs Computing kpt #: 517 total cpu time spent up to now is 215.3 secs Computing kpt #: 518 total cpu time spent up to now is 215.4 secs Computing kpt #: 519 total cpu time spent up to now is 215.6 secs Computing kpt #: 520 total cpu time spent up to now is 215.9 secs Computing kpt #: 521 total cpu time spent up to now is 216.2 secs Computing kpt #: 522 total cpu time spent up to now is 216.5 secs Computing kpt #: 523 total cpu time spent up to now is 216.8 secs Computing kpt #: 524 total cpu time spent up to now is 217.0 secs Computing kpt #: 525 total cpu time spent up to now is 217.3 secs Computing kpt #: 526 total cpu time spent up to now is 217.5 secs Computing kpt #: 527 total cpu time spent up to now is 217.7 secs Computing kpt #: 528 total cpu time spent up to now is 217.9 secs Computing kpt #: 529 total cpu time spent up to now is 218.1 secs Computing kpt #: 530 total cpu time spent up to now is 218.3 secs Computing kpt #: 531 total cpu time spent up to now is 218.6 secs Computing kpt #: 532 total cpu time spent up to now is 218.8 secs Computing kpt #: 533 total cpu time spent up to now is 219.0 secs Computing kpt #: 534 total cpu time spent up to now is 219.2 secs Computing kpt #: 535 total cpu time spent up to now is 219.4 secs Computing kpt #: 536 total cpu time spent up to now is 219.7 secs Computing kpt #: 537 total cpu time spent up to now is 219.9 secs Computing kpt #: 538 total cpu time spent up to now is 220.1 secs Computing kpt #: 539 total cpu time spent up to now is 220.4 secs Computing kpt #: 540 total cpu time spent up to now is 220.6 secs Computing kpt #: 541 total cpu time spent up to now is 220.8 secs Computing kpt #: 542 total cpu time spent up to now is 221.2 secs Computing kpt #: 543 total cpu time spent up to now is 221.4 secs Computing kpt #: 544 total cpu time spent up to now is 222.1 secs Computing kpt #: 545 total cpu time spent up to now is 222.7 secs Computing kpt #: 546 total cpu time spent up to now is 223.4 secs Computing kpt #: 547 total cpu time spent up to now is 224.1 secs Computing kpt #: 548 total cpu time spent up to now is 225.0 secs Computing kpt #: 549 total cpu time spent up to now is 225.7 secs Computing kpt #: 550 total cpu time spent up to now is 226.3 secs Computing kpt #: 551 total cpu time spent up to now is 226.9 secs Computing kpt #: 552 total cpu time spent up to now is 227.3 secs Computing kpt #: 553 total cpu time spent up to now is 227.6 secs Computing kpt #: 554 total cpu time spent up to now is 227.9 secs Computing kpt #: 555 total cpu time spent up to now is 228.1 secs Computing kpt #: 556 total cpu time spent up to now is 228.4 secs Computing kpt #: 557 total cpu time spent up to now is 228.7 secs Computing kpt #: 558 total cpu time spent up to now is 229.0 secs Computing kpt #: 559 total cpu time spent up to now is 229.3 secs Computing kpt #: 560 total cpu time spent up to now is 229.6 secs Computing kpt #: 561 total cpu time spent up to now is 229.9 secs Computing kpt #: 562 total cpu time spent up to now is 230.4 secs Computing kpt #: 563 total cpu time spent up to now is 230.7 secs Computing kpt #: 564 total cpu time spent up to now is 231.2 secs Computing kpt #: 565 total cpu time spent up to now is 231.6 secs Computing kpt #: 566 total cpu time spent up to now is 231.9 secs Computing kpt #: 567 total cpu time spent up to now is 232.3 secs Computing kpt #: 568 total cpu time spent up to now is 232.9 secs Computing kpt #: 569 total cpu time spent up to now is 233.3 secs Computing kpt #: 570 total cpu time spent up to now is 233.6 secs Computing kpt #: 571 total cpu time spent up to now is 233.9 secs Computing kpt #: 572 total cpu time spent up to now is 234.1 secs Computing kpt #: 573 total cpu time spent up to now is 234.4 secs Computing kpt #: 574 total cpu time spent up to now is 234.7 secs Computing kpt #: 575 total cpu time spent up to now is 234.9 secs Computing kpt #: 576 total cpu time spent up to now is 235.2 secs Computing kpt #: 577 total cpu time spent up to now is 235.4 secs Computing kpt #: 578 total cpu time spent up to now is 235.7 secs Computing kpt #: 579 total cpu time spent up to now is 235.9 secs Computing kpt #: 580 total cpu time spent up to now is 236.3 secs Computing kpt #: 581 total cpu time spent up to now is 236.5 secs Computing kpt #: 582 total cpu time spent up to now is 236.8 secs Computing kpt #: 583 total cpu time spent up to now is 237.1 secs Computing kpt #: 584 total cpu time spent up to now is 237.4 secs ethr = 6.25E-11, avg # of iterations = 25.2 total cpu time spent up to now is 237.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 985 PWs) bands (ev): -6.2624 -6.2624 -1.0042 -1.0042 4.3026 4.3026 8.0619 8.0619 9.7669 9.7669 10.7803 10.7803 11.4445 11.4445 12.7982 12.7982 18.2566 18.2566 19.0956 19.0956 20.4831 20.4831 24.5921 24.5921 k = 0.0052 0.0075-0.0000 ( 987 PWs) bands (ev): -6.2613 -6.2613 -1.0043 -1.0043 4.3037 4.3037 8.0600 8.0600 9.7606 9.7606 10.7819 10.7819 11.4446 11.4446 12.7957 12.7957 18.2596 18.2596 19.0995 19.0995 20.4846 20.4846 24.5944 24.5944 k = 0.0104 0.0150-0.0000 ( 989 PWs) bands (ev): -6.2581 -6.2581 -1.0047 -1.0047 4.3068 4.3068 8.0545 8.0545 9.7420 9.7420 10.7864 10.7864 11.4446 11.4446 12.7881 12.7881 18.2685 18.2685 19.1110 19.1110 20.4893 20.4893 24.6012 24.6012 k = 0.0156 0.0226-0.0000 ( 993 PWs) bands (ev): -6.2528 -6.2528 -1.0054 -1.0054 4.3121 4.3121 8.0453 8.0453 9.7116 9.7116 10.7933 10.7933 11.4446 11.4446 12.7756 12.7756 18.2831 18.2831 19.1301 19.1301 20.4972 20.4972 24.6125 24.6125 k = 0.0208 0.0301-0.0000 ( 997 PWs) bands (ev): -6.2454 -6.2454 -1.0063 -1.0063 4.3194 4.3194 8.0325 8.0325 9.6703 9.6703 10.8020 10.8020 11.4446 11.4446 12.7582 12.7582 18.3032 18.3032 19.1568 19.1568 20.5085 20.5085 24.6283 24.6283 k = 0.0260 0.0376-0.0000 ( 997 PWs) bands (ev): -6.2358 -6.2358 -1.0075 -1.0075 4.3288 4.3288 8.0163 8.0163 9.6191 9.6191 10.8115 10.8115 11.4444 11.4444 12.7360 12.7360 18.3285 18.3285 19.1910 19.1910 20.5234 20.5234 24.6484 24.6484 k = 0.0313 0.0451-0.0000 ( 995 PWs) bands (ev): -6.2241 -6.2241 -1.0090 -1.0090 4.3404 4.3404 7.9971 7.9971 9.5592 9.5592 10.8210 10.8210 11.4441 11.4441 12.7090 12.7090 18.3586 18.3586 19.2326 19.2326 20.5421 20.5421 24.6729 24.6729 k = 0.0365 0.0527-0.0000 ( 999 PWs) bands (ev): -6.2104 -6.2104 -1.0108 -1.0108 4.3540 4.3540 7.9747 7.9747 9.4914 9.4914 10.8296 10.8296 11.4435 11.4435 12.6775 12.6775 18.3928 18.3928 19.2814 19.2814 20.5650 20.5650 24.7015 24.7015 k = 0.0417 0.0602-0.0000 ( 995 PWs) bands (ev): -6.1945 -6.1945 -1.0129 -1.0129 4.3697 4.3697 7.9494 7.9494 9.4168 9.4168 10.8370 10.8370 11.4427 11.4427 12.6415 12.6415 18.4306 18.4306 19.3373 19.3373 20.5924 20.5924 24.7344 24.7344 k = 0.0469 0.0677-0.0000 ( 999 PWs) bands (ev): -6.1765 -6.1765 -1.0155 -1.0155 4.3875 4.3875 7.9216 7.9216 9.3361 9.3361 10.8424 10.8424 11.4413 11.4413 12.6009 12.6009 18.4714 18.4714 19.4001 19.4001 20.6247 20.6247 24.7711 24.7711 k = 0.0521 0.0752-0.0000 ( 999 PWs) bands (ev): -6.1564 -6.1564 -1.0184 -1.0184 4.4074 4.4074 7.8915 7.8915 9.2500 9.2500 10.8454 10.8454 11.4395 11.4395 12.5562 12.5562 18.5146 18.5146 19.4696 19.4696 20.6622 20.6622 24.8116 24.8116 k = 0.0573 0.0828-0.0000 ( 1003 PWs) bands (ev): -6.1343 -6.1343 -1.0218 -1.0218 4.4293 4.4293 7.8592 7.8592 9.1592 9.1592 10.8457 10.8457 11.4370 11.4370 12.5075 12.5075 18.5594 18.5594 19.5457 19.5457 20.7055 20.7055 24.8558 24.8558 k = 0.0625 0.0903-0.0000 ( 1007 PWs) bands (ev): -6.1101 -6.1101 -1.0257 -1.0257 4.4533 4.4533 7.8252 7.8252 9.0643 9.0643 10.8431 10.8431 11.4339 11.4339 12.4547 12.4547 18.6051 18.6051 19.6280 19.6280 20.7548 20.7548 24.9035 24.9035 k = 0.0677 0.0978-0.0000 ( 1007 PWs) bands (ev): -6.0838 -6.0838 -1.0301 -1.0301 4.4794 4.4794 7.7898 7.7898 8.9658 8.9658 10.8375 10.8375 11.4300 11.4300 12.3984 12.3984 18.6512 18.6512 19.7165 19.7165 20.8104 20.8104 24.7844 24.7844 k = 0.0729 0.1053-0.0000 ( 1007 PWs) bands (ev): -6.0555 -6.0555 -1.0351 -1.0351 4.5075 4.5075 7.7531 7.7531 8.8641 8.8641 10.8288 10.8288 11.4252 11.4252 12.3387 12.3387 18.6971 18.6971 19.8107 19.8107 20.8727 20.8727 24.5940 24.5940 k = 0.0781 0.1128-0.0000 ( 1007 PWs) bands (ev): -6.0252 -6.0252 -1.0407 -1.0407 4.5376 4.5376 7.7156 7.7156 8.7597 8.7597 10.8169 10.8169 11.4195 11.4195 12.2756 12.2756 18.7422 18.7422 19.9105 19.9105 20.9417 20.9417 24.4025 24.4025 k = 0.0834 0.1204-0.0000 ( 1007 PWs) bands (ev): -5.9929 -5.9929 -1.0469 -1.0469 4.5698 4.5698 7.6775 7.6775 8.6529 8.6529 10.8018 10.8018 11.4127 11.4127 12.2094 12.2094 18.7862 18.7862 20.0155 20.0155 21.0177 21.0177 24.2107 24.2107 k = 0.0886 0.1279-0.0000 ( 1007 PWs) bands (ev): -5.9585 -5.9585 -1.0539 -1.0539 4.6041 4.6041 7.6391 7.6391 8.5441 8.5441 10.7834 10.7834 11.4049 11.4049 12.1402 12.1402 18.8288 18.8288 20.1255 20.1255 21.1004 21.1004 24.0188 24.0188 k = 0.0938 0.1354-0.0000 ( 1007 PWs) bands (ev): -5.9222 -5.9222 -1.0615 -1.0615 4.6403 4.6403 7.6007 7.6007 8.4336 8.4336 10.7619 10.7619 11.3959 11.3959 12.0684 12.0684 18.8698 18.8698 20.2403 20.2403 21.1898 21.1898 23.8274 23.8274 k = 0.0990 0.1429-0.0000 ( 1003 PWs) bands (ev): -5.8840 -5.8840 -1.0700 -1.0700 4.6786 4.6786 7.5626 7.5626 8.3216 8.3216 10.7373 10.7373 11.3857 11.3857 11.9941 11.9941 18.9090 18.9090 20.3595 20.3595 21.2857 21.2857 23.6368 23.6368 k = 0.1042 0.1505-0.0000 ( 1003 PWs) bands (ev): -5.8438 -5.8438 -1.0794 -1.0794 4.7188 4.7188 7.5249 7.5249 8.2086 8.2086 10.7094 10.7094 11.3743 11.3743 11.9174 11.9174 18.9465 18.9465 20.4827 20.4827 21.3877 21.3877 23.4472 23.4472 k = 0.1094 0.1580-0.0000 ( 1003 PWs) bands (ev): -5.8017 -5.8017 -1.0897 -1.0897 4.7610 4.7610 7.4882 7.4882 8.0946 8.0946 10.6786 10.6786 11.3615 11.3615 11.8386 11.8386 18.9824 18.9824 20.6098 20.6098 21.4953 21.4953 23.2589 23.2589 k = 0.1146 0.1655-0.0000 ( 1003 PWs) bands (ev): -5.7578 -5.7578 -1.1009 -1.1009 4.8052 4.8052 7.4524 7.4524 7.9800 7.9800 10.6447 10.6447 11.3475 11.3475 11.7578 11.7578 19.0167 19.0167 20.7403 20.7403 21.6082 21.6082 23.0722 23.0722 k = 0.1198 0.1730-0.0000 ( 999 PWs) bands (ev): -5.7119 -5.7119 -1.1131 -1.1131 4.8514 4.8514 7.4179 7.4179 7.8649 7.8649 10.6080 10.6080 11.3321 11.3321 11.6754 11.6754 19.0496 19.0496 20.8740 20.8740 21.7258 21.7258 22.8872 22.8872 k = 0.1250 0.1806-0.0000 ( 999 PWs) bands (ev): -5.6643 -5.6643 -1.1263 -1.1263 4.8995 4.8995 7.3849 7.3849 7.7497 7.7497 10.5685 10.5685 11.3154 11.3154 11.5913 11.5913 19.0813 19.0813 21.0105 21.0105 21.8475 21.8475 22.7041 22.7041 k = 0.1302 0.1881-0.0000 ( 1003 PWs) bands (ev): -5.6148 -5.6148 -1.1406 -1.1406 4.9494 4.9494 7.3535 7.3535 7.6343 7.6343 10.5262 10.5262 11.2973 11.2973 11.5058 11.5058 19.1120 19.1120 21.1495 21.1495 21.9728 21.9728 22.5229 22.5229 k = 0.1354 0.1956-0.0000 ( 1011 PWs) bands (ev): -5.5636 -5.5636 -1.1561 -1.1561 5.0013 5.0013 7.3241 7.3241 7.5192 7.5192 10.4813 10.4813 11.2778 11.2778 11.4190 11.4190 19.1418 19.1418 21.2906 21.2906 22.1012 22.1012 22.3439 22.3439 k = 0.1407 0.2031-0.0000 ( 1011 PWs) bands (ev): -5.5106 -5.5106 -1.1727 -1.1727 5.0551 5.0551 7.2968 7.2968 7.4044 7.4044 10.4338 10.4338 11.2568 11.2568 11.3315 11.3315 19.1711 19.1711 21.4334 21.4334 22.1672 22.1672 22.2320 22.2320 k = 0.1459 0.2106-0.0000 ( 1011 PWs) bands (ev): -5.4560 -5.4560 -1.1905 -1.1905 5.1107 5.1107 7.2709 7.2709 7.2909 7.2909 10.3840 10.3840 11.2310 11.2310 11.2466 11.2466 19.1999 19.1999 21.5777 21.5777 21.9928 21.9928 22.3648 22.3648 k = 0.1511 0.2182-0.0000 ( 1007 PWs) bands (ev): -5.3996 -5.3996 -1.2095 -1.2095 5.1682 5.1682 7.1758 7.1758 7.2497 7.2497 10.3318 10.3318 11.1517 11.1517 11.2131 11.2131 19.2285 19.2285 21.7231 21.7231 21.8208 21.8208 22.4990 22.4990 k = 0.1563 0.2257-0.0000 ( 1007 PWs) bands (ev): -5.3416 -5.3416 -1.2297 -1.2297 5.2275 5.2275 7.0630 7.0630 7.2297 7.2297 10.2774 10.2774 11.0619 11.0619 11.1881 11.1881 19.2568 19.2568 21.6514 21.6514 21.8690 21.8690 22.6341 22.6341 k = 0.1615 0.2332-0.0000 ( 1007 PWs) bands (ev): -5.2821 -5.2821 -1.2512 -1.2512 5.2886 5.2886 6.9510 6.9510 7.2124 7.2124 10.2208 10.2208 10.9713 10.9713 11.1621 11.1621 19.2850 19.2850 21.4846 21.4846 22.0153 22.0153 22.7696 22.7696 k = 0.1667 0.2407-0.0000 ( 1007 PWs) bands (ev): -5.2209 -5.2209 -1.2740 -1.2740 5.3515 5.3515 6.8400 6.8400 7.1980 7.1980 10.1621 10.1621 10.8804 10.8804 11.1350 11.1350 19.3133 19.3133 21.3205 21.3205 22.1614 22.1614 22.9051 22.9051 k = 0.1719 0.2483-0.0000 ( 1003 PWs) bands (ev): -5.1583 -5.1583 -1.2980 -1.2980 5.4160 5.4160 6.7302 6.7302 7.1866 7.1866 10.1016 10.1016 10.7891 10.7891 11.1068 11.1068 19.3416 19.3416 21.1592 21.1592 22.3069 22.3069 23.0401 23.0401 k = 0.1771 0.2558-0.0000 ( 1003 PWs) bands (ev): -5.0942 -5.0942 -1.3233 -1.3233 5.4824 5.4824 6.6216 6.6216 7.1782 7.1782 10.0392 10.0392 10.6977 10.6977 11.0774 11.0774 19.3698 19.3698 21.0007 21.0007 22.4514 22.4514 23.1741 23.1741 k = 0.1823 0.2633-0.0000 ( 1003 PWs) bands (ev): -5.0287 -5.0287 -1.3499 -1.3499 5.5503 5.5503 6.5144 6.5144 7.1729 7.1729 9.9751 9.9751 10.6063 10.6063 11.0470 11.0470 19.3980 19.3980 20.8451 20.8451 22.5944 22.5944 23.3069 23.3069 k = 0.1875 0.2708-0.0000 ( 1001 PWs) bands (ev): -4.9618 -4.9618 -1.3777 -1.3777 5.6200 5.6200 6.4087 6.4087 7.1707 7.1707 9.9094 9.9094 10.5151 10.5151 11.0156 11.0156 19.4262 19.4262 20.6924 20.6924 22.7355 22.7355 23.4380 23.4380 k = 0.1928 0.2784-0.0000 ( 1001 PWs) bands (ev): -4.8937 -4.8937 -1.4068 -1.4068 5.6912 5.6912 6.3046 6.3046 7.1718 7.1718 9.8421 9.8421 10.4240 10.4240 10.9832 10.9832 19.4543 19.4543 20.5428 20.5428 22.8741 22.8741 23.5670 23.5670 k = 0.1980 0.2859-0.0000 ( 1001 PWs) bands (ev): -4.8242 -4.8242 -1.4371 -1.4371 5.7640 5.7640 6.2021 6.2021 7.1761 7.1761 9.7734 9.7734 10.3332 10.3332 10.9498 10.9498 19.4821 19.4821 20.3962 20.3962 23.0097 23.0097 23.6936 23.6936 k = 0.2032 0.2934-0.0000 ( 991 PWs) bands (ev): -4.7536 -4.7536 -1.4685 -1.4685 5.8383 5.8383 6.1016 6.1016 7.1837 7.1837 9.7034 9.7034 10.2429 10.2429 10.9156 10.9156 19.5097 19.5097 20.2528 20.2528 23.1419 23.1419 23.8176 23.8176 k = 0.2084 0.3009-0.0000 ( 991 PWs) bands (ev): -4.6818 -4.6818 -1.5011 -1.5011 5.9141 5.9141 6.0028 6.0028 7.1945 7.1945 9.6322 9.6322 10.1530 10.1530 10.8807 10.8807 19.5366 19.5366 20.1125 20.1125 23.2700 23.2700 23.9384 23.9384 k = 0.2136 0.3084-0.0000 ( 991 PWs) bands (ev): -4.6090 -4.6090 -1.5348 -1.5348 5.9058 5.9058 5.9916 5.9916 7.2085 7.2085 9.5598 9.5598 10.0637 10.0637 10.8450 10.8450 19.5629 19.5629 19.9755 19.9755 23.3934 23.3934 24.0559 24.0559 k = 0.2188 0.3160-0.0000 ( 993 PWs) bands (ev): -4.5352 -4.5352 -1.5695 -1.5695 5.8111 5.8111 6.0702 6.0702 7.2258 7.2258 9.4864 9.4864 9.9750 9.9750 10.8087 10.8087 19.5883 19.5883 19.8418 19.8418 23.5115 23.5115 24.1697 24.1697 k = 0.2240 0.3235-0.0000 ( 989 PWs) bands (ev): -4.4604 -4.4604 -1.6052 -1.6052 5.7186 5.7186 6.1501 6.1501 7.2463 7.2463 9.4122 9.4122 9.8870 9.8870 10.7719 10.7719 19.6126 19.6126 19.7115 19.7115 23.6238 23.6238 24.2797 24.2797 k = 0.2292 0.3310-0.0000 ( 987 PWs) bands (ev): -4.3848 -4.3848 -1.6419 -1.6419 5.6282 5.6282 6.2314 6.2314 7.2700 7.2700 9.3370 9.3370 9.7999 9.7999 10.7346 10.7346 19.5846 19.5846 19.6356 19.6356 23.7295 23.7295 24.3853 24.3853 k = 0.2344 0.3385-0.0000 ( 987 PWs) bands (ev): -4.3084 -4.3084 -1.6794 -1.6794 5.5402 5.5402 6.3139 6.3139 7.2967 7.2967 9.2612 9.2612 9.7136 9.7136 10.6969 10.6969 19.4612 19.4612 19.6568 19.6568 23.8281 23.8281 24.4865 24.4865 k = 0.2396 0.3461-0.0000 ( 987 PWs) bands (ev): -4.2313 -4.2313 -1.7177 -1.7177 5.4545 5.4545 6.3976 6.3976 7.3265 7.3265 9.1846 9.1846 9.6282 9.6282 10.6588 10.6588 19.3413 19.3413 19.6760 19.6760 23.9188 23.9188 24.5827 24.5827 k = 0.2448 0.3536-0.0000 ( 987 PWs) bands (ev): -4.1536 -4.1536 -1.7568 -1.7568 5.3712 5.3712 6.4824 6.4824 7.3593 7.3593 9.1075 9.1075 9.5439 9.5439 10.6206 10.6206 19.2250 19.2250 19.6929 19.6929 24.0011 24.0011 24.6739 24.6739 k = 0.2501 0.3611-0.0000 ( 991 PWs) bands (ev): -4.0753 -4.0753 -1.7966 -1.7966 5.2905 5.2905 6.5682 6.5682 7.3949 7.3949 9.0299 9.0299 9.4606 9.4606 10.5822 10.5822 19.1124 19.1124 19.7071 19.7071 24.0743 24.0743 24.7595 24.7595 k = 0.2553 0.3686-0.0000 ( 991 PWs) bands (ev): -3.9966 -3.9966 -1.8370 -1.8370 5.2124 5.2124 6.6550 6.6550 7.4333 7.4333 8.9518 8.9518 9.3784 9.3784 10.5437 10.5437 19.0036 19.0036 19.7183 19.7183 24.1379 24.1379 24.8395 24.8395 k = 0.2605 0.3762-0.0000 ( 993 PWs) bands (ev): -3.9175 -3.9175 -1.8779 -1.8779 5.1370 5.1370 6.7427 6.7427 7.4743 7.4743 8.8734 8.8734 9.2974 9.2974 10.5053 10.5053 18.8985 18.8985 19.7261 19.7261 24.1914 24.1914 24.9135 24.9135 k = 0.2657 0.3837-0.0000 ( 997 PWs) bands (ev): -3.8382 -3.8382 -1.9192 -1.9192 5.0644 5.0644 6.8312 6.8312 7.5179 7.5179 8.7948 8.7948 9.2175 9.2175 10.4670 10.4670 18.7973 18.7973 19.7301 19.7301 24.2341 24.2341 24.9813 24.9813 k = 0.2709 0.3912-0.0000 ( 997 PWs) bands (ev): -3.7588 -3.7588 -1.9609 -1.9609 4.9947 4.9947 6.9204 6.9204 7.5639 7.5639 8.7160 8.7160 9.1390 9.1390 10.4291 10.4291 18.7001 18.7001 19.7300 19.7300 24.2660 24.2660 25.0427 25.0427 k = 0.2761 0.3987-0.0000 ( 991 PWs) bands (ev): -3.6793 -3.6793 -2.0029 -2.0029 4.9279 4.9279 7.0102 7.0102 7.6124 7.6124 8.6370 8.6370 9.0617 9.0617 10.3915 10.3915 18.6069 18.6069 19.7253 19.7253 24.2869 24.2869 25.0977 25.0977 k = 0.2813 0.4063-0.0000 ( 987 PWs) bands (ev): -3.5998 -3.5998 -2.0451 -2.0451 4.8640 4.8640 7.1006 7.1006 7.6628 7.6628 8.5581 8.5581 8.9858 8.9858 10.3544 10.3544 18.5178 18.5178 19.7157 19.7157 24.2964 24.2964 25.1462 25.1462 k = 0.2865 0.4138-0.0000 ( 987 PWs) bands (ev): -3.5205 -3.5205 -2.0875 -2.0875 4.8033 4.8033 7.1914 7.1914 7.7152 7.7152 8.4790 8.4790 8.9112 8.9112 10.3179 10.3179 18.4329 18.4329 19.7008 19.7008 24.2945 24.2945 25.1884 25.1884 k = 0.2917 0.4213-0.0000 ( 991 PWs) bands (ev): -3.4415 -3.4415 -2.1299 -2.1299 4.7456 4.7456 7.2825 7.2825 7.7693 7.7693 8.4000 8.4000 8.8381 8.8381 10.2821 10.2821 18.3523 18.3523 19.6804 19.6804 24.2814 24.2814 25.2247 25.2247 k = 0.2969 0.4288-0.0000 ( 991 PWs) bands (ev): -3.3629 -3.3629 -2.1722 -2.1722 4.6912 4.6912 7.3739 7.3739 7.8250 7.8250 8.3212 8.3212 8.7664 8.7664 10.2472 10.2472 18.2760 18.2760 19.6541 19.6541 24.2574 24.2574 25.2555 25.2555 k = 0.3022 0.4363-0.0000 ( 994 PWs) bands (ev): -3.2848 -3.2848 -2.2145 -2.2145 4.6401 4.6401 7.4654 7.4654 7.8820 7.8820 8.2425 8.2425 8.6962 8.6962 10.2133 10.2133 18.2042 18.2042 19.6219 19.6219 24.2229 24.2229 25.2816 25.2816 k = 0.3074 0.4439-0.0000 ( 998 PWs) bands (ev): -3.2074 -3.2074 -2.2566 -2.2566 4.5923 4.5923 7.5569 7.5569 7.9402 7.9402 8.1639 8.1639 8.6275 8.6275 10.1805 10.1805 18.1369 18.1369 19.5835 19.5835 24.1783 24.1783 25.3039 25.3039 k = 0.3126 0.4514-0.0000 ( 1000 PWs) bands (ev): -3.1307 -3.1307 -2.2985 -2.2985 4.5479 4.5479 7.6482 7.6482 7.9992 7.9992 8.0857 8.0857 8.5603 8.5603 10.1492 10.1492 18.0743 18.0743 19.5390 19.5390 24.1244 24.1244 25.3231 25.3231 k = 0.3178 0.4589-0.0000 ( 996 PWs) bands (ev): -3.0549 -3.0549 -2.3401 -2.3401 4.5070 4.5070 7.7393 7.7393 8.0074 8.0074 8.0592 8.0592 8.4948 8.4948 10.1194 10.1194 18.0164 18.0164 19.4884 19.4884 24.0618 24.0618 25.3406 25.3406 k = 0.3230 0.4664-0.0000 ( 996 PWs) bands (ev): -2.9801 -2.9801 -2.3812 -2.3812 4.4696 4.4696 7.8300 7.8300 7.9299 7.9299 8.1191 8.1191 8.4309 8.4309 10.0914 10.0914 17.9633 17.9633 19.4317 19.4317 23.9910 23.9910 25.3571 25.3571 k = 0.3282 0.4740-0.0000 ( 996 PWs) bands (ev): -2.9064 -2.9064 -2.4219 -2.4219 4.4358 4.4358 7.8525 7.8525 7.9202 7.9202 8.1790 8.1790 8.3686 8.3686 10.0653 10.0653 17.9152 17.9152 19.3692 19.3692 23.9130 23.9130 25.3735 25.3735 k = 0.3334 0.4815-0.0000 ( 992 PWs) bands (ev): -2.8340 -2.8340 -2.4621 -2.4621 4.4057 4.4057 7.7756 7.7756 8.0097 8.0097 8.2387 8.2387 8.3080 8.3080 10.0414 10.0414 17.8721 17.8721 19.3012 19.3012 23.8284 23.8284 25.3908 25.3908 k = 0.3386 0.4890-0.0000 ( 996 PWs) bands (ev): -2.7629 -2.7629 -2.5017 -2.5017 4.3792 4.3792 7.6990 7.6990 8.0983 8.0983 8.2488 8.2488 8.2977 8.2977 10.0200 10.0200 17.8341 17.8341 19.2280 19.2280 23.7379 23.7379 25.4095 25.4095 k = 0.3438 0.4965-0.0000 ( 1000 PWs) bands (ev): -2.6934 -2.6934 -2.5406 -2.5406 4.3564 4.3564 7.6229 7.6229 8.1860 8.1860 8.1915 8.1915 8.3553 8.3553 10.0014 10.0014 17.8014 17.8014 19.1500 19.1500 23.6425 23.6425 25.3623 25.3623 k = 0.3490 0.5041-0.0000 ( 996 PWs) bands (ev): -2.6255 -2.6255 -2.5788 -2.5788 4.3373 4.3373 7.5472 7.5472 8.1359 8.1359 8.2725 8.2725 8.4116 8.4116 9.9859 9.9859 17.7740 17.7740 19.0677 19.0677 23.5429 23.5429 25.1879 25.1879 k = 0.3542 0.5116-0.0000 ( 996 PWs) bands (ev): -2.6164 -2.6164 -2.5591 -2.5591 4.3220 4.3220 7.4720 7.4720 8.0821 8.0821 8.3578 8.3578 8.4657 8.4657 9.9738 9.9738 17.7520 17.7520 18.9816 18.9816 23.4397 23.4397 25.0098 25.0098 k = 0.3595 0.5191-0.0000 ( 996 PWs) bands (ev): -2.6530 -2.6530 -2.4947 -2.4947 4.3104 4.3104 7.3972 7.3972 8.0300 8.0300 8.4415 8.4415 8.5173 8.5173 9.9655 9.9655 17.7356 17.7356 18.8922 18.8922 23.3336 23.3336 24.8284 24.8284 k = 0.3647 0.5266-0.0000 ( 996 PWs) bands (ev): -2.6887 -2.6887 -2.4323 -2.4323 4.3026 4.3026 7.3230 7.3230 7.9797 7.9797 8.5236 8.5236 8.5660 8.5660 9.9612 9.9612 17.7247 17.7247 18.8001 18.8001 23.2254 23.2254 24.6441 24.6441 k = 0.3699 0.5341-0.0000 ( 994 PWs) bands (ev): -2.7235 -2.7235 -2.3719 -2.3719 4.2985 4.2985 7.2493 7.2493 7.9312 7.9312 8.6024 8.6024 8.6128 8.6128 9.9614 9.9614 17.7196 17.7196 18.7059 18.7059 23.1157 23.1157 24.4574 24.4574 k = 0.3699 0.5341-0.0000 ( 994 PWs) bands (ev): -2.7235 -2.7235 -2.3719 -2.3719 4.2985 4.2985 7.2493 7.2493 7.9312 7.9312 8.6024 8.6024 8.6128 8.6128 9.9614 9.9614 17.7196 17.7196 18.7059 18.7059 23.1157 23.1157 24.4574 24.4574 k = 0.3606 0.5341-0.0000 ( 993 PWs) bands (ev): -2.7098 -2.7098 -2.4011 -2.4011 4.3021 4.3021 7.2907 7.2907 7.9536 7.9536 8.5626 8.5626 8.5868 8.5868 9.9620 9.9620 17.7244 17.7244 18.7610 18.7610 23.1795 23.1795 24.5655 24.5655 k = 0.3514 0.5341-0.0000 ( 995 PWs) bands (ev): -2.7098 -2.7098 -2.4187 -2.4187 4.3102 4.3102 7.3301 7.3301 7.9646 7.9646 8.5320 8.5320 8.5627 8.5627 9.9668 9.9668 17.7360 17.7360 18.8165 18.8165 23.2437 23.2437 24.6737 24.6737 k = 0.3421 0.5341-0.0000 ( 994 PWs) bands (ev): -2.7245 -2.7245 -2.4238 -2.4238 4.3227 4.3227 7.3674 7.3674 7.9630 7.9630 8.5129 8.5129 8.5394 8.5394 9.9760 9.9760 17.7545 17.7545 18.8722 18.8722 23.3082 23.3082 24.7814 24.7814 k = 0.3329 0.5341-0.0000 ( 994 PWs) bands (ev): -2.7514 -2.7514 -2.4187 -2.4187 4.3394 4.3394 7.4023 7.4023 7.9488 7.9488 8.5046 8.5046 8.5177 8.5177 9.9898 9.9898 17.7800 17.7800 18.9273 18.9273 23.3727 23.3727 24.8885 24.8885 k = 0.3236 0.5341-0.0000 ( 997 PWs) bands (ev): -2.7864 -2.7864 -2.4074 -2.4074 4.3602 4.3602 7.4345 7.4345 7.9235 7.9235 8.4927 8.4927 8.5104 8.5104 10.0085 10.0085 17.8124 17.8124 18.9814 18.9814 23.4370 23.4370 24.9944 24.9944 k = 0.3144 0.5341-0.0000 ( 999 PWs) bands (ev): -2.8263 -2.8263 -2.3929 -2.3929 4.3848 4.3848 7.4642 7.4642 7.8897 7.8897 8.4721 8.4721 8.5201 8.5201 10.0321 10.0321 17.8518 17.8518 19.0338 19.0338 23.5009 23.5009 25.0987 25.0987 k = 0.3051 0.5341-0.0000 ( 999 PWs) bands (ev): -2.8689 -2.8689 -2.3774 -2.3774 4.4129 4.4129 7.4912 7.4912 7.8497 7.8497 8.4517 8.4517 8.5357 8.5357 10.0607 10.0607 17.8981 17.8981 19.0840 19.0840 23.5639 23.5639 25.1200 25.1200 k = 0.2959 0.5341-0.0000 ( 999 PWs) bands (ev): -2.9129 -2.9129 -2.3620 -2.3620 4.4444 4.4444 7.5157 7.5157 7.8058 7.8058 8.4319 8.4319 8.5545 8.5545 10.0943 10.0943 17.9512 17.9512 19.1312 19.1312 23.6257 23.6257 25.0163 25.0163 k = 0.2867 0.5341-0.0000 ( 995 PWs) bands (ev): -2.9575 -2.9575 -2.3475 -2.3475 4.4789 4.4789 7.5378 7.5378 7.7595 7.7595 8.4128 8.4128 8.5751 8.5751 10.1328 10.1328 18.0111 18.0111 19.1748 19.1748 23.6859 23.6859 24.9089 24.9089 k = 0.2774 0.5341-0.0000 ( 993 PWs) bands (ev): -3.0020 -3.0020 -2.3341 -2.3341 4.5161 4.5161 7.5577 7.5577 7.7118 7.7118 8.3942 8.3942 8.5962 8.5962 10.1761 10.1761 18.0777 18.0777 19.2138 19.2138 23.7438 23.7438 24.8001 24.8001 k = 0.2682 0.5341-0.0000 ( 992 PWs) bands (ev): -3.0462 -3.0462 -2.3222 -2.3222 4.5556 4.5556 7.5757 7.5757 7.6638 7.6638 8.3763 8.3763 8.6171 8.6171 10.2238 10.2238 18.1508 18.1508 19.2476 19.2476 23.7987 23.7987 24.6925 24.6925 k = 0.2589 0.5341-0.0000 ( 990 PWs) bands (ev): -3.0898 -3.0898 -2.3118 -2.3118 4.5972 4.5972 7.5918 7.5918 7.6159 7.6159 8.3590 8.3590 8.6375 8.6375 10.2758 10.2758 18.2305 18.2305 19.2755 19.2755 23.8495 23.8495 24.5885 24.5885 k = 0.2497 0.5341-0.0000 ( 992 PWs) bands (ev): -3.1326 -3.1326 -2.3028 -2.3028 4.6403 4.6403 7.5679 7.5679 7.6074 7.6074 8.3423 8.3423 8.6568 8.6568 10.3314 10.3314 18.3165 18.3165 19.2965 19.2965 23.8951 23.8951 24.4904 24.4904 k = 0.2404 0.5341-0.0000 ( 990 PWs) bands (ev): -3.1745 -3.1745 -2.2953 -2.2953 4.6847 4.6847 7.5213 7.5213 7.6215 7.6215 8.3263 8.3263 8.6750 8.6750 10.3906 10.3906 18.4086 18.4086 19.3102 19.3102 23.9334 23.9334 24.4011 24.4011 k = 0.2312 0.5341-0.0000 ( 989 PWs) bands (ev): -3.2153 -3.2153 -2.2893 -2.2893 4.7299 4.7299 7.4756 7.4756 7.6349 7.6349 8.3111 8.3111 8.6920 8.6920 10.4527 10.4527 18.5068 18.5068 19.3158 19.3158 23.9612 23.9612 24.3238 24.3238 k = 0.2219 0.5341-0.0000 ( 991 PWs) bands (ev): -3.2550 -3.2550 -2.2845 -2.2845 4.7756 4.7756 7.4311 7.4311 7.6479 7.6479 8.2968 8.2968 8.7076 8.7076 10.5173 10.5173 18.6107 18.6107 19.3130 19.3130 23.9734 23.9734 24.2635 24.2635 k = 0.2127 0.5341-0.0000 ( 992 PWs) bands (ev): -3.2935 -3.2935 -2.2810 -2.2810 4.8214 4.8214 7.3879 7.3879 7.6607 7.6607 8.2834 8.2834 8.7219 8.7219 10.5841 10.5841 18.7203 18.7203 19.3016 19.3016 23.9649 23.9649 24.2248 24.2248 k = 0.2034 0.5341-0.0000 ( 992 PWs) bands (ev): -3.3307 -3.3307 -2.2786 -2.2786 4.8668 4.8668 7.3461 7.3461 7.6735 7.6735 8.2713 8.2713 8.7348 8.7348 10.6524 10.6524 18.8352 18.8352 19.2814 19.2814 23.9358 23.9358 24.2068 24.2068 k = 0.1942 0.5341-0.0000 ( 990 PWs) bands (ev): -3.3666 -3.3666 -2.2772 -2.2772 4.9116 4.9116 7.3058 7.3058 7.6863 7.6863 8.2605 8.2605 8.7465 8.7465 10.7219 10.7219 18.9553 18.9553 19.2526 19.2526 23.8931 23.8931 24.2018 24.2018 k = 0.1849 0.5341-0.0000 ( 991 PWs) bands (ev): -3.4010 -3.4010 -2.2767 -2.2767 4.9554 4.9554 7.2672 7.2672 7.6992 7.6992 8.2512 8.2512 8.7569 8.7569 10.7920 10.7920 19.0803 19.0803 19.2157 19.2157 23.8435 23.8435 24.2027 24.2027 k = 0.1757 0.5341-0.0000 ( 987 PWs) bands (ev): -3.4340 -3.4340 -2.2770 -2.2770 4.9979 4.9979 7.2302 7.2302 7.7120 7.7120 8.2438 8.2438 8.7662 8.7662 10.8623 10.8623 19.1712 19.1712 19.2100 19.2100 23.7898 23.7898 24.2068 24.2068 k = 0.1664 0.5341-0.0000 ( 991 PWs) bands (ev): -3.4656 -3.4656 -2.2780 -2.2780 5.0388 5.0388 7.1948 7.1948 7.7246 7.7246 8.2385 8.2385 8.7743 8.7743 10.9321 10.9321 19.1201 19.1201 19.3439 19.3439 23.7327 23.7327 24.2138 24.2138 k = 0.1572 0.5341-0.0000 ( 991 PWs) bands (ev): -3.4956 -3.4956 -2.2795 -2.2795 5.0779 5.0779 7.1613 7.1613 7.7368 7.7368 8.2355 8.2355 8.7814 8.7814 11.0013 11.0013 19.0632 19.0632 19.4818 19.4818 23.6723 23.6723 24.2250 24.2250 k = 0.1480 0.5341-0.0000 ( 990 PWs) bands (ev): -3.5241 -3.5241 -2.2815 -2.2815 5.1150 5.1150 7.1295 7.1295 7.7483 7.7483 8.2349 8.2349 8.7876 8.7876 11.0693 11.0693 19.0016 19.0016 19.6233 19.6233 23.6084 23.6084 24.2416 24.2416 k = 0.1387 0.5341-0.0000 ( 992 PWs) bands (ev): -3.5509 -3.5509 -2.2840 -2.2840 5.1498 5.1498 7.0995 7.0995 7.7589 7.7589 8.2371 8.2371 8.7929 8.7929 11.1356 11.1356 18.9364 18.9364 19.7680 19.7680 23.5416 23.5416 24.2641 24.2641 k = 0.1295 0.5341-0.0000 ( 994 PWs) bands (ev): -3.5762 -3.5762 -2.2866 -2.2866 5.1823 5.1823 7.0713 7.0713 7.7684 7.7684 8.2420 8.2420 8.7974 8.7974 11.1998 11.1998 18.8690 18.8690 19.9155 19.9155 23.4727 23.4727 24.2928 24.2928 k = 0.1202 0.5341-0.0000 ( 994 PWs) bands (ev): -3.5998 -3.5998 -2.2895 -2.2895 5.2124 5.2124 7.0450 7.0450 7.7765 7.7765 8.2496 8.2496 8.8012 8.8012 11.2615 11.2615 18.8005 18.8005 20.0651 20.0651 23.4028 23.4028 24.3272 24.3272 k = 0.1110 0.5341-0.0000 ( 996 PWs) bands (ev): -3.6218 -3.6218 -2.2925 -2.2925 5.2401 5.2401 7.0206 7.0206 7.7832 7.7832 8.2597 8.2597 8.8044 8.8044 11.3204 11.3204 18.7320 18.7320 20.2164 20.2164 23.3331 23.3331 24.3664 24.3664 k = 0.1017 0.5341-0.0000 ( 998 PWs) bands (ev): -3.6421 -3.6421 -2.2955 -2.2955 5.2653 5.2653 6.9980 6.9980 7.7885 7.7885 8.2720 8.2720 8.8070 8.8070 11.3760 11.3760 18.6646 18.6646 20.3686 20.3686 23.2649 23.2649 24.4095 24.4095 k = 0.0925 0.5341-0.0000 ( 996 PWs) bands (ev): -3.6606 -3.6606 -2.2985 -2.2985 5.2880 5.2880 6.9774 6.9774 7.7924 7.7924 8.2860 8.2860 8.8092 8.8092 11.4280 11.4280 18.5995 18.5995 20.5208 20.5208 23.1992 23.1992 24.4554 24.4554 k = 0.0832 0.5341-0.0000 ( 996 PWs) bands (ev): -3.6775 -3.6775 -2.3015 -2.3015 5.3083 5.3083 6.9587 6.9587 7.7951 7.7951 8.3012 8.3012 8.8110 8.8110 11.4761 11.4761 18.5376 18.5376 20.6719 20.6719 23.1370 23.1370 24.5028 24.5028 k = 0.0740 0.5341-0.0000 ( 998 PWs) bands (ev): -3.6926 -3.6926 -2.3042 -2.3042 5.3262 5.3262 6.9420 6.9420 7.7969 7.7969 8.3169 8.3169 8.8124 8.8124 11.5200 11.5200 18.4798 18.4798 20.8205 20.8205 23.0791 23.0791 24.5505 24.5505 k = 0.0647 0.5341-0.0000 ( 998 PWs) bands (ev): -3.7060 -3.7060 -2.3068 -2.3068 5.3418 5.3418 6.9272 6.9272 7.7979 7.7979 8.3325 8.3325 8.8135 8.8135 11.5593 11.5593 18.4268 18.4268 20.9650 20.9650 23.0263 23.0263 24.4976 24.4976 k = 0.0555 0.5341-0.0000 ( 998 PWs) bands (ev): -3.7176 -3.7176 -2.3091 -2.3091 5.3552 5.3552 6.9143 6.9143 7.7983 7.7983 8.3475 8.3475 8.8144 8.8144 11.5940 11.5940 18.3795 18.3795 21.1031 21.1031 22.9793 22.9793 24.3594 24.3594 k = 0.0462 0.5341-0.0000 ( 992 PWs) bands (ev): -3.7274 -3.7274 -2.3111 -2.3111 5.3664 5.3664 6.9034 6.9034 7.7983 7.7983 8.3612 8.3612 8.8151 8.8151 11.6238 11.6238 18.3384 18.3384 21.2319 21.2319 22.9386 22.9386 24.2298 24.2298 k = 0.0370 0.5341-0.0000 ( 992 PWs) bands (ev): -3.7355 -3.7355 -2.3128 -2.3128 5.3754 5.3754 6.8946 6.8946 7.7981 7.7981 8.3731 8.3731 8.8156 8.8156 11.6482 11.6482 18.3040 18.3040 21.3477 21.3477 22.9047 22.9047 24.1127 24.1127 k = 0.0277 0.5341-0.0000 ( 992 PWs) bands (ev): -3.7418 -3.7418 -2.3141 -2.3141 5.3823 5.3823 6.8876 6.8876 7.7978 7.7978 8.3829 8.3829 8.8159 8.8159 11.6675 11.6675 18.2769 18.2769 21.4462 21.4462 22.8779 22.8779 24.0130 24.0130 k = 0.0185 0.5341-0.0000 ( 993 PWs) bands (ev): -3.7463 -3.7463 -2.3151 -2.3151 5.3873 5.3873 6.8827 6.8827 7.7975 7.7975 8.3901 8.3901 8.8162 8.8162 11.6813 11.6813 18.2572 18.2572 21.5220 21.5220 22.8586 22.8586 23.9361 23.9361 k = 0.0092 0.5341-0.0000 ( 989 PWs) bands (ev): -3.7490 -3.7490 -2.3157 -2.3157 5.3902 5.3902 6.8797 6.8797 7.7973 7.7973 8.3946 8.3946 8.8163 8.8163 11.6896 11.6896 18.2453 18.2453 21.5702 21.5702 22.8469 22.8469 23.8872 23.8872 k = 0.0000 0.5341-0.0000 ( 992 PWs) bands (ev): -3.7499 -3.7499 -2.3159 -2.3159 5.3912 5.3912 6.8787 6.8787 7.7972 7.7972 8.3961 8.3961 8.8164 8.8164 11.6924 11.6924 18.2413 18.2413 21.5867 21.5867 22.8430 22.8430 23.8704 23.8704 k = 0.0000 0.5341-0.0000 ( 992 PWs) bands (ev): -3.7499 -3.7499 -2.3159 -2.3159 5.3912 5.3912 6.8787 6.8787 7.7972 7.7972 8.3961 8.3961 8.8164 8.8164 11.6924 11.6924 18.2413 18.2413 21.5867 21.5867 22.8430 22.8430 23.8704 23.8704 k = 0.0000 0.5341 0.0092 ( 994 PWs) bands (ev): -3.7490 -3.7490 -2.3157 -2.3157 5.3824 5.3824 6.8886 6.8886 7.7795 7.7795 8.3929 8.3929 8.8378 8.8378 11.6908 11.6908 18.2418 18.2418 21.5688 21.5688 22.8606 22.8606 23.8733 23.8733 k = 0.0000 0.5341 0.0184 ( 994 PWs) bands (ev): -3.7466 -3.7466 -2.3153 -2.3153 5.3568 5.3568 6.9177 6.9177 7.7291 7.7291 8.3863 8.3863 8.8965 8.8965 11.6859 11.6859 18.2434 18.2434 21.5181 21.5181 22.9104 22.9104 23.8819 23.8819 k = 0.0000 0.5341 0.0275 ( 996 PWs) bands (ev): -3.7425 -3.7425 -2.3146 -2.3146 5.3163 5.3163 6.9641 6.9641 7.6528 7.6528 8.3811 8.3811 8.9808 8.9808 11.6779 11.6779 18.2459 18.2459 21.4413 21.4413 22.9857 22.9857 23.8960 23.8960 k = 0.0000 0.5341 0.0367 ( 996 PWs) bands (ev): -3.7369 -3.7369 -2.3136 -2.3136 5.2633 5.2633 7.0253 7.0253 7.5580 7.5580 8.3793 8.3793 9.0814 9.0814 11.6667 11.6667 18.2495 18.2495 21.3459 21.3459 23.0787 23.0787 23.9155 23.9155 k = 0.0000 0.5341 0.0459 ( 998 PWs) bands (ev): -3.7296 -3.7296 -2.3124 -2.3124 5.2006 5.2006 7.0986 7.0986 7.4507 7.4507 8.3811 8.3811 9.1917 9.1917 11.6523 11.6523 18.2542 18.2542 21.2379 21.2379 23.1830 23.1830 23.9402 23.9402 k = 0.0000 0.5341 0.0551 ( 996 PWs) bands (ev): -3.7207 -3.7207 -2.3110 -2.3110 5.1306 5.1306 7.1815 7.1815 7.3353 7.3353 8.3863 8.3863 9.3079 9.3079 11.6349 11.6349 18.2599 18.2599 21.1218 21.1218 23.2939 23.2939 23.9696 23.9696 k = 0.0000 0.5341 0.0643 ( 996 PWs) bands (ev): -3.7102 -3.7102 -2.3094 -2.3094 5.0554 5.0554 7.2140 7.2140 7.2728 7.2728 8.3942 8.3942 9.4274 9.4274 11.6145 11.6145 18.2667 18.2667 21.0007 21.0007 23.4077 23.4077 24.0033 24.0033 k = 0.0000 0.5341 0.0734 ( 996 PWs) bands (ev): -3.6982 -3.6982 -2.3077 -2.3077 4.9765 4.9765 7.0902 7.0902 7.3692 7.3692 8.4047 8.4047 9.5485 9.5485 11.5911 11.5911 18.2746 18.2746 20.8769 20.8769 23.5218 23.5218 24.0409 24.0409 k = 0.0000 0.5341 0.0826 ( 998 PWs) bands (ev): -3.6846 -3.6846 -2.3059 -2.3059 4.8954 4.8954 6.9640 6.9640 7.4707 7.4707 8.4174 8.4174 9.6700 9.6700 11.5648 11.5648 18.2835 18.2835 20.7518 20.7518 23.6339 23.6339 24.0818 24.0818 k = 0.0000 0.5341 0.0918 ( 994 PWs) bands (ev): -3.6695 -3.6695 -2.3041 -2.3041 4.8131 4.8131 6.8366 6.8366 7.5761 7.5761 8.4321 8.4321 9.7912 9.7912 11.5357 11.5357 18.2937 18.2937 20.6267 20.6267 23.7423 23.7423 24.1252 24.1252 k = 0.0000 0.5341 0.1010 ( 996 PWs) bands (ev): -3.6529 -3.6529 -2.3023 -2.3023 4.7303 4.7303 6.7087 6.7087 7.6843 7.6843 8.4487 8.4487 9.9110 9.9110 11.5039 11.5039 18.3049 18.3049 20.5024 20.5024 23.8454 23.8454 24.1705 24.1705 k = 0.0000 0.5341 0.1102 ( 996 PWs) bands (ev): -3.6348 -3.6348 -2.3006 -2.3006 4.6480 4.6480 6.5809 6.5809 7.7949 7.7949 8.4673 8.4673 10.0291 10.0291 11.4694 11.4694 18.3171 18.3171 20.3797 20.3797 23.9421 23.9421 24.2168 24.2168 k = 0.0000 0.5341 0.1193 ( 994 PWs) bands (ev): -3.6153 -3.6153 -2.2991 -2.2991 4.5664 4.5664 6.4535 6.4535 7.9073 7.9073 8.4876 8.4876 10.1449 10.1449 11.4326 11.4326 18.3305 18.3305 20.2592 20.2592 24.0315 24.0315 24.2635 24.2635 k = 0.0000 0.5341 0.1285 ( 994 PWs) bands (ev): -3.5943 -3.5943 -2.2978 -2.2978 4.4863 4.4863 6.3268 6.3268 8.0210 8.0210 8.5096 8.5096 10.2578 10.2578 11.3934 11.3934 18.3449 18.3449 20.1413 20.1413 24.1129 24.1129 24.3097 24.3097 k = 0.0000 0.5341 0.1377 ( 992 PWs) bands (ev): -3.5720 -3.5720 -2.2969 -2.2969 4.4080 4.4080 6.2012 6.2012 8.1357 8.1357 8.5334 8.5334 10.3674 10.3674 11.3519 11.3519 18.3602 18.3602 20.0266 20.0266 24.1860 24.1860 24.3548 24.3548 k = 0.0000 0.5341 0.1469 ( 992 PWs) bands (ev): -3.5484 -3.5484 -2.2964 -2.2964 4.3318 4.3318 6.0767 6.0767 8.2511 8.2511 8.5588 8.5588 10.4733 10.4733 11.3084 11.3084 18.3764 18.3764 19.9155 19.9155 24.2508 24.2508 24.3982 24.3982 k = 0.0000 0.5341 0.1561 ( 992 PWs) bands (ev): -3.5234 -3.5234 -2.2964 -2.2964 4.2580 4.2580 5.9538 5.9538 8.3668 8.3668 8.5858 8.5858 10.5751 10.5751 11.2629 11.2629 18.3935 18.3935 19.8082 19.8082 24.3078 24.3078 24.4395 24.4395 k = 0.0000 0.5341 0.1652 ( 992 PWs) bands (ev): -3.4972 -3.4972 -2.2970 -2.2970 4.1870 4.1870 5.8324 5.8324 8.4827 8.4827 8.6144 8.6144 10.6723 10.6723 11.2156 11.2156 18.4112 18.4112 19.7051 19.7051 24.3573 24.3573 24.4784 24.4784 k = 0.0000 0.5341 0.1744 ( 994 PWs) bands (ev): -3.4698 -3.4698 -2.2984 -2.2984 4.1191 4.1191 5.7129 5.7129 8.5985 8.5985 8.6446 8.6446 10.7644 10.7644 11.1667 11.1667 18.4296 18.4296 19.6066 19.6066 24.4001 24.4001 24.5146 24.5146 k = 0.0000 0.5341 0.1836 ( 990 PWs) bands (ev): -3.4413 -3.4413 -2.3005 -2.3005 4.0544 4.0544 5.5953 5.5953 8.6764 8.6764 8.7140 8.7140 10.8513 10.8513 11.1163 11.1163 18.4484 18.4484 19.5128 19.5128 24.4369 24.4369 24.5480 24.5480 k = 0.0000 0.5341 0.1928 ( 990 PWs) bands (ev): -3.4117 -3.4117 -2.3035 -2.3035 3.9932 3.9932 5.4798 5.4798 8.7097 8.7097 8.8289 8.8289 10.9323 10.9323 11.0648 11.0648 18.4675 18.4675 19.4241 19.4241 24.4683 24.4683 24.5786 24.5786 k = 0.0000 0.5341 0.2020 ( 992 PWs) bands (ev): -3.3810 -3.3810 -2.3074 -2.3074 3.9357 3.9357 5.3665 5.3665 8.7446 8.7446 8.9429 8.9429 11.0030 11.0030 11.0163 11.0163 18.4868 18.4868 19.3407 19.3407 24.4951 24.4951 24.6063 24.6063 k = 0.0000 0.5341 0.2111 ( 988 PWs) bands (ev): -3.3494 -3.3494 -2.3125 -2.3125 3.8822 3.8822 5.2556 5.2556 8.7809 8.7809 9.0560 9.0560 10.9578 10.9578 11.0765 11.0765 18.5061 18.5061 19.2627 19.2627 24.5179 24.5179 24.6312 24.6312 k = 0.0000 0.5341 0.2203 ( 988 PWs) bands (ev): -3.3169 -3.3169 -2.3187 -2.3187 3.8327 3.8327 5.1471 5.1471 8.8187 8.8187 9.1676 9.1676 10.9039 10.9039 11.1382 11.1382 18.5253 18.5253 19.1902 19.1902 24.5372 24.5372 24.6532 24.6532 k = 0.0000 0.5341 0.2295 ( 990 PWs) bands (ev): -3.2836 -3.2836 -2.3261 -2.3261 3.7875 3.7875 5.0413 5.0413 8.8579 8.8579 9.2775 9.2775 10.8496 10.8496 11.1931 11.1931 18.5442 18.5442 19.1235 19.1235 24.5535 24.5535 24.6723 24.6723 k = 0.0000 0.5341 0.2387 ( 988 PWs) bands (ev): -3.2495 -3.2495 -2.3349 -2.3349 3.7466 3.7466 4.9382 4.9382 8.8985 8.8985 9.3853 9.3853 10.7954 10.7954 11.2407 11.2407 18.5626 18.5626 19.0624 19.0624 24.5673 24.5673 24.6886 24.6886 k = 0.0000 0.5341 0.2479 ( 984 PWs) bands (ev): -3.2147 -3.2147 -2.3451 -2.3451 3.7104 3.7104 4.8380 4.8380 8.9405 8.9405 9.4905 9.4905 10.7419 10.7419 11.2810 11.2810 18.5803 18.5803 19.0071 19.0071 24.5789 24.5789 24.7020 24.7020 k = 0.0000 0.5341 0.2570 ( 988 PWs) bands (ev): -3.1794 -3.1794 -2.3567 -2.3567 3.6788 3.6788 4.7407 4.7407 8.9839 8.9839 9.5921 9.5921 10.6898 10.6898 11.3136 11.3136 18.5972 18.5972 18.9575 18.9575 24.5888 24.5888 24.7127 24.7127 k = 0.0000 0.5341 0.2662 ( 990 PWs) bands (ev): -3.1436 -3.1436 -2.3698 -2.3698 3.6520 3.6520 4.6466 4.6466 9.0284 9.0284 9.6890 9.6890 10.6402 10.6402 11.3385 11.3385 18.6131 18.6131 18.9135 18.9135 24.5971 24.5971 24.7206 24.7206 k = 0.0000 0.5341 0.2754 ( 990 PWs) bands (ev): -3.1073 -3.1073 -2.3844 -2.3844 3.6300 3.6300 4.5557 4.5557 9.0742 9.0742 9.7796 9.7796 10.5949 10.5949 11.3557 11.3557 18.6279 18.6279 18.8748 18.8748 24.6043 24.6043 24.7260 24.7260 k = 0.0000 0.5341 0.2846 ( 986 PWs) bands (ev): -3.0708 -3.0708 -2.4007 -2.4007 3.6131 3.6131 4.4681 4.4681 9.1213 9.1213 9.8610 9.8610 10.5567 10.5567 11.3653 11.3653 18.6416 18.6416 18.8414 18.8414 24.6106 24.6106 24.7289 24.7289 k = 0.0000 0.5341 0.2938 ( 984 PWs) bands (ev): -3.0340 -3.0340 -2.4185 -2.4185 3.6011 3.6011 4.3840 4.3840 9.1695 9.1695 9.9288 9.9288 10.5298 10.5298 11.3672 11.3672 18.6539 18.6539 18.8128 18.8128 24.6162 24.6162 24.7296 24.7296 k = 0.0000 0.5341 0.3029 ( 980 PWs) bands (ev): -2.9972 -2.9972 -2.4379 -2.4379 3.5942 3.5942 4.3035 4.3035 9.2188 9.2188 9.9772 9.9772 10.5198 10.5198 11.3616 11.3616 18.6648 18.6648 18.7888 18.7888 24.6213 24.6213 24.7283 24.7283 k = 0.0000 0.5341 0.3121 ( 984 PWs) bands (ev): -2.9603 -2.9603 -2.4589 -2.4589 3.5924 3.5924 4.2267 4.2267 9.2690 9.2690 10.0012 10.0012 10.5317 10.5317 11.3485 11.3485 18.6743 18.6743 18.7691 18.7691 24.6261 24.6261 24.7253 24.7253 k = 0.0000 0.5341 0.3213 ( 980 PWs) bands (ev): -2.9235 -2.9235 -2.4814 -2.4814 3.5958 3.5958 4.1537 4.1537 9.3203 9.3203 10.0003 10.0003 10.5659 10.5659 11.3285 11.3285 18.6824 18.6824 18.7531 18.7531 24.6309 24.6309 24.7208 24.7208 k = 0.0000 0.5341 0.3305 ( 980 PWs) bands (ev): -2.8870 -2.8870 -2.5055 -2.5055 3.6042 3.6042 4.0847 4.0847 9.3724 9.3724 9.9795 9.9795 10.6173 10.6173 11.3015 11.3015 18.6892 18.6892 18.7404 18.7404 24.6357 24.6357 24.7151 24.7151 k = 0.0000 0.5341 0.3397 ( 980 PWs) bands (ev): -2.8508 -2.8508 -2.5310 -2.5310 3.6177 3.6177 4.0197 4.0197 9.4253 9.4253 9.9451 9.9451 10.6792 10.6792 11.2679 11.2679 18.6946 18.6946 18.7307 18.7307 24.6407 24.6407 24.7085 24.7085 k = 0.0000 0.5341 0.3488 ( 978 PWs) bands (ev): -2.8150 -2.8150 -2.5580 -2.5580 3.6363 3.6363 3.9590 3.9590 9.4789 9.4789 9.9023 9.9023 10.7466 10.7466 11.2281 11.2281 18.6989 18.6989 18.7234 18.7234 24.6460 24.6460 24.7014 24.7014 k = 0.0000 0.5341 0.3580 ( 978 PWs) bands (ev): -2.7798 -2.7798 -2.5863 -2.5863 3.6598 3.6598 3.9025 3.9025 9.5330 9.5330 9.8544 9.8544 10.8157 10.8157 11.1825 11.1825 18.7023 18.7023 18.7180 18.7180 24.6517 24.6517 24.6939 24.6939 k = 0.0000 0.5341 0.3672 ( 976 PWs) bands (ev): -2.7453 -2.7453 -2.6159 -2.6159 3.6884 3.6884 3.8504 3.8504 9.5874 9.5874 9.8034 9.8034 10.8845 10.8845 11.1316 11.1316 18.7049 18.7049 18.7142 18.7142 24.6579 24.6579 24.6863 24.6863 k = 0.0000 0.5341 0.3764 ( 976 PWs) bands (ev): -2.7115 -2.7115 -2.6467 -2.6467 3.7218 3.7218 3.8029 3.8029 9.6420 9.6420 9.7504 9.7504 10.9514 10.9514 11.0757 11.0757 18.7071 18.7071 18.7113 18.7113 24.6644 24.6644 24.6787 24.6787 k = 0.0000 0.5341 0.3856 ( 972 PWs) bands (ev): -2.6786 -2.6786 -2.6786 -2.6786 3.7600 3.7600 3.7600 3.7600 9.6965 9.6965 9.6965 9.6965 11.0155 11.0155 11.0155 11.0155 18.7091 18.7091 18.7091 18.7091 24.6714 24.6714 24.6714 24.6714 k = 0.0000 0.5341 0.3856 ( 972 PWs) bands (ev): -2.6786 -2.6786 -2.6786 -2.6786 3.7600 3.7600 3.7600 3.7600 9.6965 9.6965 9.6965 9.6965 11.0155 11.0155 11.0155 11.0155 18.7091 18.7091 18.7091 18.7091 24.6714 24.6714 24.6714 24.6714 k = 0.0092 0.5341 0.3856 ( 972 PWs) bands (ev): -2.6781 -2.6781 -2.6780 -2.6780 3.7610 3.7610 3.7611 3.7611 9.6871 9.6871 9.6872 9.6872 11.0208 11.0208 11.0214 11.0214 18.7123 18.7123 18.7129 18.7129 24.6709 24.6709 24.6710 24.6710 k = 0.0185 0.5341 0.3856 ( 974 PWs) bands (ev): -2.6766 -2.6766 -2.6762 -2.6762 3.7641 3.7641 3.7643 3.7643 9.6598 9.6598 9.6600 9.6600 11.0366 11.0366 11.0378 11.0378 18.7223 18.7223 18.7236 18.7236 24.6694 24.6694 24.6695 24.6695 k = 0.0277 0.5341 0.3856 ( 974 PWs) bands (ev): -2.6739 -2.6739 -2.6734 -2.6734 3.7692 3.7692 3.7696 3.7696 9.6159 9.6159 9.6162 9.6162 11.0616 11.0616 11.0634 11.0634 18.7391 18.7391 18.7410 18.7410 24.6668 24.6668 24.6669 24.6669 k = 0.0370 0.5341 0.3856 ( 976 PWs) bands (ev): -2.6701 -2.6701 -2.6694 -2.6694 3.7765 3.7765 3.7769 3.7769 9.5575 9.5575 9.5579 9.5579 11.0940 11.0940 11.0962 11.0962 18.7625 18.7625 18.7650 18.7650 24.6629 24.6629 24.6630 24.6630 k = 0.0462 0.5341 0.3856 ( 980 PWs) bands (ev): -2.6653 -2.6653 -2.6644 -2.6644 3.7858 3.7858 3.7863 3.7863 9.4865 9.4865 9.4871 9.4871 11.1316 11.1316 11.1343 11.1343 18.7924 18.7924 18.7955 18.7955 24.6574 24.6574 24.6576 24.6576 k = 0.0555 0.5341 0.3856 ( 980 PWs) bands (ev): -2.6594 -2.6594 -2.6583 -2.6583 3.7972 3.7972 3.7978 3.7978 9.4053 9.4053 9.4061 9.4061 11.1727 11.1727 11.1758 11.1758 18.8283 18.8283 18.8321 18.8321 24.6501 24.6501 24.6503 24.6503 k = 0.0647 0.5341 0.3856 ( 980 PWs) bands (ev): -2.6524 -2.6524 -2.6511 -2.6511 3.8106 3.8106 3.8114 3.8114 9.3155 9.3155 9.3166 9.3166 11.2156 11.2156 11.2190 11.2190 18.8701 18.8701 18.8744 18.8744 24.6406 24.6406 24.6409 24.6409 k = 0.0740 0.5341 0.3856 ( 980 PWs) bands (ev): -2.6444 -2.6444 -2.6430 -2.6430 3.8260 3.8260 3.8269 3.8269 9.2187 9.2187 9.2200 9.2200 11.2591 11.2591 11.2629 11.2629 18.9173 18.9173 18.9221 18.9221 24.6286 24.6286 24.6290 24.6290 k = 0.0832 0.5341 0.3856 ( 980 PWs) bands (ev): -2.6354 -2.6354 -2.6338 -2.6338 3.8435 3.8435 3.8445 3.8445 9.1161 9.1161 9.1177 9.1177 11.3022 11.3022 11.3062 11.3062 18.9695 18.9695 18.9748 18.9748 24.6137 24.6137 24.6142 24.6142 k = 0.0925 0.5341 0.3856 ( 982 PWs) bands (ev): -2.6254 -2.6254 -2.6236 -2.6236 3.8630 3.8630 3.8641 3.8641 9.0088 9.0088 9.0106 9.0106 11.3441 11.3441 11.3483 11.3483 19.0261 19.0261 19.0319 19.0319 24.5955 24.5955 24.5961 24.5961 k = 0.1017 0.5341 0.3856 ( 982 PWs) bands (ev): -2.6145 -2.6145 -2.6125 -2.6125 3.8844 3.8844 3.8856 3.8856 8.8977 8.8977 8.8997 8.8997 11.3842 11.3842 11.3887 11.3887 19.0868 19.0868 19.0930 19.0930 24.5739 24.5739 24.5746 24.5746 k = 0.1110 0.5341 0.3856 ( 982 PWs) bands (ev): -2.6026 -2.6026 -2.6005 -2.6005 3.9077 3.9077 3.9090 3.9090 8.7835 8.7835 8.7858 8.7858 11.4221 11.4221 11.4268 11.4268 19.1508 19.1508 19.1575 19.1575 24.5485 24.5485 24.5494 24.5494 k = 0.1202 0.5341 0.3856 ( 982 PWs) bands (ev): -2.5899 -2.5899 -2.5877 -2.5877 3.9329 3.9329 3.9343 3.9343 8.6669 8.6669 8.6695 8.6695 11.4576 11.4576 11.4624 11.4624 19.2177 19.2177 19.2247 19.2247 24.5195 24.5195 24.5205 24.5205 k = 0.1295 0.5341 0.3856 ( 982 PWs) bands (ev): -2.5764 -2.5764 -2.5740 -2.5740 3.9600 3.9600 3.9615 3.9615 8.5485 8.5485 8.5513 8.5513 11.4903 11.4903 11.4953 11.4953 19.2867 19.2867 19.2941 19.2941 24.4869 24.4869 24.4880 24.4880 k = 0.1387 0.5341 0.3856 ( 982 PWs) bands (ev): -2.5621 -2.5621 -2.5595 -2.5595 3.9889 3.9889 3.9905 3.9905 8.4288 8.4288 8.4319 8.4319 11.5202 11.5202 11.5253 11.5253 19.3573 19.3573 19.3650 19.3650 24.4509 24.4509 24.4522 24.4522 k = 0.1480 0.5341 0.3856 ( 982 PWs) bands (ev): -2.5470 -2.5470 -2.5443 -2.5443 4.0195 4.0195 4.0212 4.0212 8.3083 8.3083 8.3116 8.3116 11.5471 11.5471 11.5523 11.5523 19.4287 19.4287 19.4367 19.4367 24.4119 24.4119 24.4134 24.4134 k = 0.1572 0.5341 0.3856 ( 982 PWs) bands (ev): -2.5313 -2.5313 -2.5285 -2.5285 4.0518 4.0518 4.0537 4.0537 8.1875 8.1875 8.1910 8.1910 11.5710 11.5710 11.5763 11.5763 19.5003 19.5003 19.5086 19.5086 24.3706 24.3706 24.3722 24.3722 k = 0.1664 0.5341 0.3856 ( 986 PWs) bands (ev): -2.5150 -2.5150 -2.5120 -2.5120 4.0858 4.0858 4.0877 4.0877 8.0667 8.0667 8.0704 8.0704 11.5919 11.5919 11.5972 11.5972 19.5714 19.5714 19.5799 19.5799 24.3274 24.3274 24.3292 24.3292 k = 0.1757 0.5341 0.3856 ( 986 PWs) bands (ev): -2.4981 -2.4981 -2.4950 -2.4950 4.1213 4.1213 4.1233 4.1233 7.9463 7.9463 7.9502 7.9502 11.6097 11.6097 11.6151 11.6151 19.6413 19.6413 19.6500 19.6500 24.2833 24.2833 24.2853 24.2853 k = 0.1849 0.5341 0.3856 ( 984 PWs) bands (ev): -2.4808 -2.4808 -2.4775 -2.4775 4.1583 4.1583 4.1604 4.1604 7.8268 7.8268 7.8309 7.8309 11.6247 11.6247 11.6301 11.6301 19.7093 19.7093 19.7182 19.7182 24.2390 24.2390 24.2411 24.2411 k = 0.1942 0.5341 0.3856 ( 984 PWs) bands (ev): -2.4630 -2.4630 -2.4596 -2.4596 4.1966 4.1966 4.1988 4.1988 7.7086 7.7086 7.7128 7.7128 11.6366 11.6366 11.6420 11.6420 19.7748 19.7748 19.7838 19.7838 24.1952 24.1952 24.1974 24.1974 k = 0.2034 0.5341 0.3856 ( 982 PWs) bands (ev): -2.4450 -2.4450 -2.4414 -2.4414 4.2362 4.2362 4.2385 4.2385 7.5919 7.5919 7.5964 7.5964 11.6456 11.6456 11.6510 11.6510 19.8371 19.8371 19.8462 19.8462 24.1528 24.1528 24.1551 24.1551 k = 0.2127 0.5341 0.3856 ( 984 PWs) bands (ev): -2.4267 -2.4267 -2.4230 -2.4230 4.2770 4.2770 4.2793 4.2793 7.4772 7.4772 7.4818 7.4818 11.6518 11.6518 11.6571 11.6571 19.8955 19.8955 19.9048 19.9048 24.1125 24.1125 24.1148 24.1148 k = 0.2219 0.5341 0.3856 ( 988 PWs) bands (ev): -2.4082 -2.4082 -2.4045 -2.4045 4.3187 4.3187 4.3211 4.3211 7.3649 7.3649 7.3697 7.3697 11.6550 11.6550 11.6604 11.6604 19.9495 19.9495 19.9589 19.9589 24.0750 24.0750 24.0774 24.0774 k = 0.2312 0.5341 0.3856 ( 990 PWs) bands (ev): -2.3897 -2.3897 -2.3858 -2.3858 4.3612 4.3612 4.3637 4.3637 7.2554 7.2554 7.2603 7.2603 11.6556 11.6556 11.6609 11.6609 19.9986 19.9986 20.0080 20.0080 24.0410 24.0410 24.0435 24.0435 k = 0.2404 0.5341 0.3856 ( 990 PWs) bands (ev): -2.3712 -2.3712 -2.3673 -2.3673 4.4043 4.4043 4.4069 4.4069 7.1491 7.1491 7.1541 7.1541 11.6534 11.6534 11.6587 11.6587 20.0424 20.0424 20.0518 20.0518 24.0110 24.0110 24.0135 24.0135 k = 0.2497 0.5341 0.3856 ( 990 PWs) bands (ev): -2.3529 -2.3529 -2.3489 -2.3489 4.4478 4.4478 4.4504 4.4504 7.0464 7.0464 7.0516 7.0516 11.6487 11.6487 11.6539 11.6539 20.0803 20.0803 20.0898 20.0898 23.9856 23.9856 23.9881 23.9881 k = 0.2589 0.5341 0.3856 ( 992 PWs) bands (ev): -2.3348 -2.3348 -2.3307 -2.3307 4.4915 4.4915 4.4941 4.4941 6.9478 6.9478 6.9531 6.9531 11.6413 11.6413 11.6465 11.6465 20.1122 20.1122 20.1217 20.1217 23.9650 23.9650 23.9676 23.9676 k = 0.2682 0.5341 0.3856 ( 990 PWs) bands (ev): -2.3172 -2.3172 -2.3129 -2.3129 4.5349 4.5349 4.5376 4.5376 6.8539 6.8539 6.8593 6.8593 11.6316 11.6316 11.6366 11.6366 20.1379 20.1379 20.1474 20.1474 23.9497 23.9497 23.9523 23.9523 k = 0.2774 0.5341 0.3856 ( 990 PWs) bands (ev): -2.2999 -2.2999 -2.2957 -2.2957 4.5779 4.5779 4.5806 4.5806 6.7651 6.7651 6.7706 6.7706 11.6193 11.6193 11.6243 11.6243 20.1572 20.1572 20.1667 20.1667 23.9398 23.9398 23.9424 23.9424 k = 0.2867 0.5341 0.3856 ( 992 PWs) bands (ev): -2.2833 -2.2833 -2.2790 -2.2790 4.6198 4.6198 4.6226 4.6226 6.6820 6.6820 6.6876 6.6876 11.6048 11.6048 11.6097 11.6097 20.1701 20.1701 20.1796 20.1796 23.9353 23.9353 23.9379 23.9379 k = 0.2959 0.5341 0.3856 ( 992 PWs) bands (ev): -2.2675 -2.2675 -2.2631 -2.2631 4.6604 4.6604 4.6631 4.6631 6.6053 6.6053 6.6110 6.6110 11.5880 11.5880 11.5928 11.5928 20.1768 20.1768 20.1862 20.1862 23.9363 23.9363 23.9389 23.9389 k = 0.3051 0.5341 0.3856 ( 990 PWs) bands (ev): -2.2525 -2.2525 -2.2480 -2.2480 4.6990 4.6990 4.7018 4.7018 6.5357 6.5357 6.5415 6.5415 11.5691 11.5691 11.5738 11.5738 20.1774 20.1774 20.1868 20.1868 23.9425 23.9425 23.9451 23.9451 k = 0.3144 0.5341 0.3856 ( 988 PWs) bands (ev): -2.2384 -2.2384 -2.2340 -2.2340 4.7352 4.7352 4.7380 4.7380 6.4739 6.4739 6.4798 6.4798 11.5480 11.5480 11.5526 11.5526 20.1722 20.1722 20.1816 20.1816 23.9539 23.9539 23.9564 23.9564 k = 0.3236 0.5341 0.3856 ( 990 PWs) bands (ev): -2.2255 -2.2255 -2.2211 -2.2211 4.7684 4.7684 4.7711 4.7711 6.4205 6.4205 6.4265 6.4265 11.5248 11.5248 11.5294 11.5294 20.1616 20.1616 20.1709 20.1709 23.9701 23.9701 23.9726 23.9726 k = 0.3329 0.5341 0.3856 ( 992 PWs) bands (ev): -2.2139 -2.2139 -2.2094 -2.2094 4.7979 4.7979 4.8006 4.8006 6.3763 6.3763 6.3823 6.3823 11.4998 11.4998 11.5042 11.5042 20.1458 20.1458 20.1550 20.1550 23.9908 23.9908 23.9933 23.9933 k = 0.3421 0.5341 0.3856 ( 992 PWs) bands (ev): -2.2036 -2.2036 -2.1991 -2.1991 4.8234 4.8234 4.8261 4.8261 6.3419 6.3419 6.3480 6.3480 11.4729 11.4729 11.4773 11.4773 20.1255 20.1255 20.1346 20.1346 24.0158 24.0158 24.0182 24.0182 k = 0.3514 0.5341 0.3856 ( 992 PWs) bands (ev): -2.1948 -2.1948 -2.1904 -2.1904 4.8445 4.8445 4.8472 4.8472 6.3178 6.3178 6.3239 6.3239 11.4443 11.4443 11.4485 11.4485 20.1009 20.1009 20.1099 20.1099 24.0445 24.0445 24.0469 24.0469 k = 0.3606 0.5341 0.3856 ( 992 PWs) bands (ev): -2.1877 -2.1877 -2.1833 -2.1833 4.8611 4.8611 4.8637 4.8637 6.3041 6.3041 6.3103 6.3103 11.4140 11.4140 11.4181 11.4181 20.0725 20.0725 20.0815 20.0815 24.0766 24.0766 24.0789 24.0789 k = 0.3699 0.5341 0.3856 ( 996 PWs) bands (ev): -2.1823 -2.1823 -2.1779 -2.1779 4.8733 4.8733 4.8758 4.8758 6.3009 6.3009 6.3072 6.3072 11.3822 11.3822 11.3862 11.3862 20.0409 20.0409 20.0498 20.0498 24.1118 24.1118 24.1141 24.1141 k = 0.3699 0.5341 0.3856 ( 996 PWs) bands (ev): -2.1823 -2.1823 -2.1779 -2.1779 4.8733 4.8733 4.8758 4.8758 6.3009 6.3009 6.3072 6.3072 11.3822 11.3822 11.3862 11.3862 20.0409 20.0409 20.0498 20.0498 24.1118 24.1118 24.1141 24.1141 k = 0.3647 0.5266 0.3856 ( 996 PWs) bands (ev): -2.1907 -2.1907 -2.1863 -2.1863 4.8545 4.8545 4.8571 4.8571 6.3015 6.3015 6.3077 6.3077 11.4371 11.4371 11.4413 11.4413 20.0981 20.0981 20.1072 20.1072 24.0495 24.0495 24.0519 24.0519 k = 0.3595 0.5191 0.3856 ( 992 PWs) bands (ev): -2.2004 -2.2004 -2.1959 -2.1959 4.8335 4.8335 4.8362 4.8362 6.3099 6.3099 6.3160 6.3160 11.4888 11.4888 11.4931 11.4931 20.1544 20.1544 20.1635 20.1635 23.9900 23.9900 23.9925 23.9925 k = 0.3542 0.5116 0.3856 ( 986 PWs) bands (ev): -2.2114 -2.2114 -2.2069 -2.2069 4.8109 4.8109 4.8137 4.8137 6.3255 6.3255 6.3315 6.3315 11.5370 11.5370 11.5416 11.5416 20.2093 20.2093 20.2185 20.2185 23.9337 23.9337 23.9363 23.9363 k = 0.3490 0.5041 0.3856 ( 986 PWs) bands (ev): -2.2239 -2.2239 -2.2193 -2.2193 4.7874 4.7874 4.7902 4.7902 6.3479 6.3479 6.3538 6.3538 11.5817 11.5817 11.5864 11.5864 20.2622 20.2622 20.2714 20.2714 23.8809 23.8809 23.8836 23.8836 k = 0.3438 0.4965 0.3856 ( 986 PWs) bands (ev): -2.2379 -2.2379 -2.2333 -2.2333 4.7636 4.7636 4.7665 4.7665 6.3764 6.3764 6.3822 6.3822 11.6230 11.6230 11.6278 11.6278 20.3127 20.3127 20.3220 20.3220 23.8321 23.8321 23.8348 23.8348 k = 0.3386 0.4890 0.3856 ( 984 PWs) bands (ev): -2.2535 -2.2535 -2.2489 -2.2489 4.7404 4.7404 4.7432 4.7432 6.4105 6.4105 6.4163 6.4163 11.6608 11.6608 11.6658 11.6658 20.3604 20.3604 20.3697 20.3697 23.7875 23.7875 23.7902 23.7902 k = 0.3334 0.4815 0.3856 ( 984 PWs) bands (ev): -2.2707 -2.2707 -2.2661 -2.2661 4.7181 4.7181 4.7210 4.7210 6.4497 6.4497 6.4555 6.4555 11.6952 11.6952 11.7002 11.7002 20.4049 20.4049 20.4141 20.4141 23.7475 23.7475 23.7503 23.7503 k = 0.3282 0.4740 0.3856 ( 984 PWs) bands (ev): -2.2896 -2.2896 -2.2850 -2.2850 4.6975 4.6975 4.7003 4.7003 6.4936 6.4936 6.4992 6.4992 11.7261 11.7261 11.7312 11.7312 20.4455 20.4455 20.4547 20.4547 23.7124 23.7124 23.7153 23.7153 k = 0.3230 0.4664 0.3856 ( 980 PWs) bands (ev): -2.3101 -2.3101 -2.3056 -2.3056 4.6790 4.6790 4.6817 4.6817 6.5416 6.5416 6.5472 6.5472 11.7536 11.7536 11.7589 11.7589 20.4821 20.4821 20.4912 20.4912 23.6826 23.6826 23.6855 23.6855 k = 0.3178 0.4589 0.3856 ( 984 PWs) bands (ev): -2.3325 -2.3325 -2.3280 -2.3280 4.6629 4.6629 4.6655 4.6655 6.5934 6.5934 6.5990 6.5990 11.7777 11.7777 11.7831 11.7831 20.5140 20.5140 20.5230 20.5230 23.6583 23.6583 23.6612 23.6612 k = 0.3126 0.4514 0.3856 ( 984 PWs) bands (ev): -2.3565 -2.3565 -2.3521 -2.3521 4.6497 4.6497 4.6522 4.6522 6.6487 6.6487 6.6542 6.6542 11.7985 11.7985 11.8040 11.8040 20.5411 20.5411 20.5500 20.5500 23.6397 23.6397 23.6427 23.6427 k = 0.3074 0.4439 0.3856 ( 984 PWs) bands (ev): -2.3823 -2.3823 -2.3779 -2.3779 4.6397 4.6397 4.6421 4.6421 6.7071 6.7071 6.7125 6.7125 11.8161 11.8161 11.8216 11.8216 20.5631 20.5631 20.5719 20.5719 23.6269 23.6269 23.6300 23.6300 k = 0.3022 0.4363 0.3856 ( 988 PWs) bands (ev): -2.4099 -2.4099 -2.4056 -2.4056 4.6330 4.6330 4.6353 4.6353 6.7684 6.7684 6.7738 6.7738 11.8305 11.8305 11.8361 11.8361 20.5798 20.5798 20.5884 20.5884 23.6202 23.6202 23.6232 23.6232 k = 0.2969 0.4288 0.3856 ( 988 PWs) bands (ev): -2.4391 -2.4391 -2.4349 -2.4349 4.6300 4.6300 4.6321 4.6321 6.8324 6.8324 6.8377 6.8377 11.8418 11.8418 11.8474 11.8474 20.5911 20.5911 20.5995 20.5995 23.6194 23.6194 23.6225 23.6225 k = 0.2917 0.4213 0.3856 ( 990 PWs) bands (ev): -2.4701 -2.4701 -2.4660 -2.4660 4.6307 4.6307 4.6326 4.6326 6.8988 6.8988 6.9041 6.9041 11.8501 11.8501 11.8557 11.8557 20.5970 20.5970 20.6052 20.6052 23.6246 23.6246 23.6277 23.6277 k = 0.2865 0.4138 0.3856 ( 990 PWs) bands (ev): -2.5027 -2.5027 -2.4987 -2.4987 4.6353 4.6353 4.6371 4.6371 6.9674 6.9674 6.9727 6.9727 11.8553 11.8553 11.8610 11.8610 20.5976 20.5976 20.6056 20.6056 23.6355 23.6355 23.6386 23.6386 k = 0.2813 0.4063 0.3856 ( 986 PWs) bands (ev): -2.5369 -2.5369 -2.5330 -2.5330 4.6439 4.6439 4.6455 4.6455 7.0382 7.0382 7.0434 7.0434 11.8578 11.8578 11.8634 11.8634 20.5931 20.5931 20.6009 20.6009 23.6521 23.6521 23.6552 23.6552 k = 0.2761 0.3987 0.3856 ( 986 PWs) bands (ev): -2.5726 -2.5726 -2.5688 -2.5688 4.6565 4.6565 4.6579 4.6579 7.1109 7.1109 7.1160 7.1160 11.8574 11.8574 11.8631 11.8631 20.5837 20.5837 20.5912 20.5912 23.6739 23.6739 23.6770 23.6770 k = 0.2709 0.3912 0.3856 ( 982 PWs) bands (ev): -2.6099 -2.6099 -2.6062 -2.6062 4.6731 4.6731 4.6743 4.6743 7.1853 7.1853 7.1904 7.1904 11.8544 11.8544 11.8600 11.8600 20.5696 20.5696 20.5769 20.5769 23.7008 23.7008 23.7039 23.7039 k = 0.2657 0.3837 0.3856 ( 978 PWs) bands (ev): -2.6485 -2.6485 -2.6449 -2.6449 4.6938 4.6938 4.6948 4.6948 7.2614 7.2614 7.2664 7.2664 11.8487 11.8487 11.8543 11.8543 20.5513 20.5513 20.5584 20.5584 23.7324 23.7324 23.7354 23.7354 k = 0.2605 0.3762 0.3856 ( 978 PWs) bands (ev): -2.6884 -2.6884 -2.6849 -2.6849 4.7186 4.7186 4.7194 4.7194 7.3390 7.3390 7.3439 7.3439 11.8404 11.8404 11.8460 11.8460 20.5291 20.5291 20.5358 20.5358 23.7682 23.7682 23.7712 23.7712 k = 0.2553 0.3686 0.3856 ( 978 PWs) bands (ev): -2.7295 -2.7295 -2.7262 -2.7262 4.7474 4.7474 4.7479 4.7479 7.4179 7.4179 7.4227 7.4227 11.8296 11.8296 11.8352 11.8352 20.5033 20.5033 20.5098 20.5098 23.8079 23.8079 23.8108 23.8108 k = 0.2501 0.3611 0.3856 ( 984 PWs) bands (ev): -2.7717 -2.7717 -2.7685 -2.7685 4.7801 4.7801 4.7805 4.7805 7.4980 7.4980 7.5028 7.5028 11.8163 11.8163 11.8219 11.8219 20.4744 20.4744 20.4806 20.4806 23.8511 23.8511 23.8540 23.8540 k = 0.2448 0.3536 0.3856 ( 986 PWs) bands (ev): -2.8149 -2.8149 -2.8119 -2.8119 4.8167 4.8167 4.8169 4.8169 7.5793 7.5793 7.5840 7.5840 11.8008 11.8008 11.8064 11.8064 20.4428 20.4428 20.4488 20.4488 23.8974 23.8974 23.9002 23.9002 k = 0.2396 0.3461 0.3856 ( 986 PWs) bands (ev): -2.8591 -2.8591 -2.8562 -2.8562 4.8572 4.8572 4.8572 4.8572 7.6616 7.6616 7.6661 7.6661 11.7831 11.7831 11.7887 11.7887 20.4090 20.4090 20.4147 20.4147 23.9465 23.9465 23.9491 23.9491 k = 0.2344 0.3385 0.3856 ( 988 PWs) bands (ev): -2.9040 -2.9040 -2.9012 -2.9012 4.9012 4.9012 4.9015 4.9015 7.7448 7.7448 7.7492 7.7492 11.7633 11.7633 11.7689 11.7689 20.3732 20.3732 20.3786 20.3786 23.9979 23.9979 24.0004 24.0004 k = 0.2292 0.3310 0.3856 ( 996 PWs) bands (ev): -2.9497 -2.9497 -2.9470 -2.9470 4.9489 4.9489 4.9494 4.9494 7.8287 7.8287 7.8330 7.8330 11.7413 11.7413 11.7469 11.7469 20.3358 20.3358 20.3410 20.3410 24.0513 24.0513 24.0537 24.0537 k = 0.2240 0.3235 0.3856 ( 992 PWs) bands (ev): -2.9959 -2.9959 -2.9933 -2.9933 5.0002 5.0002 5.0009 5.0009 7.9133 7.9133 7.9174 7.9174 11.7175 11.7175 11.7231 11.7231 20.2973 20.2973 20.3022 20.3022 24.1064 24.1064 24.1086 24.1086 k = 0.2188 0.3160 0.3856 ( 992 PWs) bands (ev): -3.0425 -3.0425 -3.0401 -3.0401 5.0550 5.0550 5.0558 5.0558 7.9984 7.9984 8.0024 8.0024 11.6917 11.6917 11.6973 11.6973 20.2579 20.2579 20.2625 20.2625 24.1627 24.1627 24.1648 24.1648 k = 0.2136 0.3084 0.3856 ( 988 PWs) bands (ev): -3.0896 -3.0896 -3.0873 -3.0873 5.1131 5.1131 5.1142 5.1142 8.0840 8.0840 8.0878 8.0878 11.6641 11.6641 11.6697 11.6697 20.2180 20.2180 20.2223 20.2223 24.2201 24.2201 24.2221 24.2221 k = 0.2084 0.3009 0.3856 ( 984 PWs) bands (ev): -3.1368 -3.1368 -3.1347 -3.1347 5.1746 5.1746 5.1758 5.1758 8.1698 8.1698 8.1734 8.1734 11.6347 11.6347 11.6403 11.6403 20.1779 20.1779 20.1818 20.1818 24.2782 24.2782 24.2800 24.2800 k = 0.2032 0.2934 0.3856 ( 980 PWs) bands (ev): -3.1843 -3.1843 -3.1822 -3.1822 5.2391 5.2391 5.2405 5.2405 8.2557 8.2557 8.2591 8.2591 11.6037 11.6037 11.6092 11.6092 20.1377 20.1377 20.1414 20.1414 24.3368 24.3368 24.3383 24.3383 k = 0.1980 0.2859 0.3856 ( 980 PWs) bands (ev): -3.2317 -3.2317 -3.2298 -3.2298 5.3067 5.3067 5.3082 5.3082 8.3416 8.3416 8.3448 8.3448 11.5709 11.5709 11.5765 11.5765 20.0979 20.0979 20.1012 20.1012 24.3953 24.3953 24.3966 24.3966 k = 0.1928 0.2784 0.3856 ( 980 PWs) bands (ev): -3.2791 -3.2791 -3.2773 -3.2773 5.3772 5.3772 5.3788 5.3788 8.4274 8.4274 8.4304 8.4304 11.5365 11.5365 11.5421 11.5421 20.0586 20.0586 20.0615 20.0615 24.4537 24.4537 24.4548 24.4548 k = 0.1875 0.2708 0.3856 ( 980 PWs) bands (ev): -3.3263 -3.3263 -3.3246 -3.3246 5.4504 5.4504 5.4522 5.4522 8.5129 8.5129 8.5157 8.5157 11.5006 11.5006 11.5062 11.5062 20.0200 20.0200 20.0227 20.0227 24.5115 24.5115 24.5123 24.5123 k = 0.1823 0.2633 0.3856 ( 980 PWs) bands (ev): -3.3732 -3.3732 -3.3716 -3.3716 5.5264 5.5264 5.5283 5.5283 8.5980 8.5980 8.6005 8.6005 11.4633 11.4633 11.4689 11.4689 19.9825 19.9825 19.9848 19.9848 24.5684 24.5684 24.5689 24.5689 k = 0.1771 0.2558 0.3856 ( 980 PWs) bands (ev): -3.4198 -3.4198 -3.4183 -3.4183 5.6049 5.6049 5.6069 5.6069 8.6826 8.6826 8.6848 8.6848 11.4245 11.4245 11.4301 11.4301 19.9462 19.9462 19.9481 19.9481 24.6238 24.6238 24.6241 24.6241 k = 0.1719 0.2483 0.3856 ( 980 PWs) bands (ev): -3.4659 -3.4659 -3.4645 -3.4645 5.6858 5.6858 5.6879 5.6879 8.7665 8.7665 8.7684 8.7684 11.3843 11.3843 11.3900 11.3900 19.9113 19.9113 19.9128 19.9128 24.6768 24.6768 24.6769 24.6769 k = 0.1667 0.2407 0.3856 ( 980 PWs) bands (ev): -3.5115 -3.5115 -3.5102 -3.5102 5.7690 5.7690 5.7712 5.7712 8.8495 8.8495 8.8511 8.8511 11.3428 11.3428 11.3485 11.3485 19.8780 19.8780 19.8791 19.8791 24.7231 24.7231 24.7239 24.7239 k = 0.1615 0.2332 0.3856 ( 980 PWs) bands (ev): -3.5565 -3.5565 -3.5552 -3.5552 5.8544 5.8544 5.8567 5.8567 8.9314 8.9314 8.9327 8.9327 11.3000 11.3000 11.3058 11.3058 19.8464 19.8464 19.8472 19.8472 24.7254 24.7254 24.7286 24.7286 k = 0.1563 0.2257 0.3856 ( 980 PWs) bands (ev): -3.6007 -3.6007 -3.5996 -3.5996 5.9418 5.9418 5.9442 5.9442 9.0122 9.0122 9.0131 9.0131 11.2560 11.2560 11.2619 11.2619 19.8169 19.8169 19.8173 19.8173 24.6193 24.6193 24.6233 24.6233 k = 0.1511 0.2182 0.3856 ( 980 PWs) bands (ev): -3.6442 -3.6442 -3.6431 -3.6431 6.0312 6.0312 6.0336 6.0336 9.0915 9.0915 9.0920 9.0920 11.2108 11.2108 11.2169 11.2169 19.7894 19.7894 19.7894 19.7894 24.4892 24.4892 24.4932 24.4932 k = 0.1459 0.2106 0.3856 ( 980 PWs) bands (ev): -3.6868 -3.6868 -3.6858 -3.6858 6.1223 6.1223 6.1248 6.1248 9.1693 9.1693 9.1693 9.1693 11.1645 11.1645 11.1707 11.1707 19.7639 19.7639 19.7643 19.7643 24.3544 24.3544 24.3582 24.3582 k = 0.1407 0.2031 0.3856 ( 980 PWs) bands (ev): -3.7285 -3.7285 -3.7276 -3.7276 6.2152 6.2152 6.2177 6.2177 9.2449 9.2449 9.2453 9.2453 11.1172 11.1172 11.1236 11.1236 19.7408 19.7408 19.7416 19.7416 24.2173 24.2173 24.2209 24.2209 k = 0.1354 0.1956 0.3856 ( 980 PWs) bands (ev): -3.7692 -3.7692 -3.7683 -3.7683 6.3095 6.3095 6.3121 6.3121 9.3183 9.3183 9.3192 9.3192 11.0690 11.0690 11.0756 11.0756 19.7202 19.7202 19.7214 19.7214 24.0787 24.0787 24.0821 24.0821 k = 0.1302 0.1881 0.3856 ( 980 PWs) bands (ev): -3.8088 -3.8088 -3.8080 -3.8080 6.4053 6.4053 6.4079 6.4079 9.3894 9.3894 9.3908 9.3908 11.0200 11.0200 11.0269 11.0269 19.7023 19.7023 19.7040 19.7040 23.9390 23.9390 23.9422 23.9422 k = 0.1250 0.1806 0.3856 ( 980 PWs) bands (ev): -3.8473 -3.8473 -3.8466 -3.8466 6.5024 6.5024 6.5050 6.5050 9.4578 9.4578 9.4598 9.4598 10.9703 10.9703 10.9775 10.9775 19.6873 19.6873 19.6894 19.6894 23.7989 23.7989 23.8017 23.8017 k = 0.1198 0.1730 0.3856 ( 988 PWs) bands (ev): -3.8847 -3.8847 -3.8840 -3.8840 6.6006 6.6006 6.6032 6.6032 9.5233 9.5233 9.5259 9.5259 10.9200 10.9200 10.9275 10.9275 19.6752 19.6752 19.6777 19.6777 23.6585 23.6585 23.6610 23.6610 k = 0.1146 0.1655 0.3856 ( 988 PWs) bands (ev): -3.9208 -3.9208 -3.9202 -3.9202 6.6999 6.6999 6.7025 6.7025 9.5855 9.5855 9.5888 9.5888 10.8696 10.8696 10.8775 10.8775 19.6661 19.6661 19.6691 19.6691 23.5184 23.5184 23.5205 23.5205 k = 0.1094 0.1580 0.3856 ( 990 PWs) bands (ev): -3.9556 -3.9556 -3.9551 -3.9551 6.8000 6.8000 6.8026 6.8026 9.6438 9.6438 9.6479 9.6479 10.8194 10.8194 10.8277 10.8277 19.6602 19.6602 19.6635 19.6635 23.3789 23.3789 23.3806 23.3806 k = 0.1042 0.1505 0.3856 ( 990 PWs) bands (ev): -3.9891 -3.9891 -3.9886 -3.9886 6.9009 6.9009 6.9034 6.9034 9.6978 9.6978 9.7026 9.7026 10.7697 10.7697 10.7785 10.7785 19.6575 19.6575 19.6612 19.6612 23.2404 23.2404 23.2416 23.2416 k = 0.0990 0.1429 0.3856 ( 990 PWs) bands (ev): -4.0213 -4.0213 -4.0208 -4.0208 7.0024 7.0024 7.0049 7.0049 9.7465 9.7465 9.7523 9.7523 10.7212 10.7212 10.7306 10.7306 19.6580 19.6580 19.6621 19.6621 23.1032 23.1032 23.1040 23.1040 k = 0.0938 0.1354 0.3856 ( 990 PWs) bands (ev): -4.0520 -4.0520 -4.0516 -4.0516 7.1044 7.1044 7.1068 7.1068 9.7892 9.7892 9.7959 9.7959 10.6747 10.6747 10.6848 10.6848 19.6618 19.6618 19.6663 19.6663 22.9676 22.9676 22.9680 22.9680 k = 0.0886 0.1279 0.3856 ( 990 PWs) bands (ev): -4.0813 -4.0813 -4.0809 -4.0809 7.2067 7.2067 7.2090 7.2090 9.8246 9.8246 9.8322 9.8322 10.6314 10.6314 10.6421 10.6421 19.6689 19.6689 19.6737 19.6737 22.8340 22.8340 22.8341 22.8341 k = 0.0834 0.1204 0.3856 ( 994 PWs) bands (ev): -4.1091 -4.1091 -4.1087 -4.1087 7.3092 7.3092 7.3113 7.3113 9.8514 9.8514 9.8598 9.8598 10.5926 10.5926 10.6039 10.6039 19.6793 19.6793 19.6844 19.6844 22.7024 22.7024 22.7030 22.7030 k = 0.0781 0.1128 0.3856 ( 990 PWs) bands (ev): -4.1354 -4.1354 -4.1350 -4.1350 7.4117 7.4117 7.4137 7.4137 9.8679 9.8679 9.8771 9.8771 10.5600 10.5600 10.5718 10.5718 19.6929 19.6929 19.6984 19.6984 22.5736 22.5736 22.5747 22.5747 k = 0.0729 0.1053 0.3856 ( 984 PWs) bands (ev): -4.1601 -4.1601 -4.1598 -4.1598 7.5140 7.5140 7.5159 7.5159 9.8728 9.8728 9.8824 9.8824 10.5350 10.5350 10.5469 10.5469 19.7098 19.7098 19.7155 19.7155 22.4478 22.4478 22.4494 22.4494 k = 0.0677 0.0978 0.3856 ( 980 PWs) bands (ev): -4.1832 -4.1832 -4.1829 -4.1829 7.6159 7.6159 7.6177 7.6177 9.8653 9.8653 9.8749 9.8749 10.5186 10.5186 10.5302 10.5302 19.7296 19.7296 19.7355 19.7355 22.3256 22.3256 22.3276 22.3276 k = 0.0625 0.0903 0.3856 ( 976 PWs) bands (ev): -4.2047 -4.2047 -4.2045 -4.2045 7.7173 7.7173 7.7190 7.7190 9.8453 9.8453 9.8545 9.8545 10.5106 10.5106 10.5216 10.5216 19.7524 19.7524 19.7584 19.7584 22.2073 22.2073 22.2096 22.2096 k = 0.0573 0.0828 0.3856 ( 972 PWs) bands (ev): -4.2246 -4.2246 -4.2244 -4.2244 7.8179 7.8179 7.8194 7.8194 9.8137 9.8137 9.8223 9.8223 10.5101 10.5101 10.5203 10.5203 19.7777 19.7777 19.7839 19.7839 22.0934 22.0934 22.0961 22.0961 k = 0.0521 0.0752 0.3856 ( 976 PWs) bands (ev): -4.2429 -4.2429 -4.2427 -4.2427 7.9173 7.9173 7.9186 7.9186 9.7724 9.7724 9.7801 9.7801 10.5154 10.5154 10.5244 10.5244 19.8053 19.8053 19.8115 19.8115 21.9843 21.9843 21.9873 21.9873 k = 0.0469 0.0677 0.3856 ( 976 PWs) bands (ev): -4.2594 -4.2594 -4.2592 -4.2592 8.0153 8.0153 8.0164 8.0164 9.7232 9.7232 9.7300 9.7300 10.5246 10.5246 10.5325 10.5325 19.8348 19.8348 19.8410 19.8410 21.8808 21.8808 21.8841 21.8841 k = 0.0417 0.0602 0.3856 ( 976 PWs) bands (ev): -4.2743 -4.2743 -4.2741 -4.2741 8.1114 8.1114 8.1123 8.1123 9.6681 9.6681 9.6740 9.6740 10.5360 10.5360 10.5428 10.5428 19.8656 19.8656 19.8716 19.8716 21.7835 21.7835 21.7869 21.7869 k = 0.0365 0.0527 0.3856 ( 976 PWs) bands (ev): -4.2874 -4.2874 -4.2873 -4.2873 8.2051 8.2051 8.2059 8.2059 9.6087 9.6087 9.6137 9.6137 10.5483 10.5483 10.5541 10.5541 19.8971 19.8971 19.9029 19.9029 21.6932 21.6932 21.6966 21.6966 k = 0.0313 0.0451 0.3856 ( 980 PWs) bands (ev): -4.2989 -4.2989 -4.2987 -4.2987 8.2956 8.2956 8.2961 8.2961 9.5466 9.5466 9.5509 9.5509 10.5605 10.5605 10.5653 10.5653 19.9283 19.9283 19.9337 19.9337 21.6109 21.6109 21.6143 21.6143 k = 0.0260 0.0376 0.3856 ( 980 PWs) bands (ev): -4.3085 -4.3085 -4.3085 -4.3085 8.3817 8.3817 8.3821 8.3821 9.4839 9.4839 9.4875 9.4875 10.5718 10.5718 10.5757 10.5757 19.9583 19.9583 19.9632 19.9632 21.5377 21.5377 21.5409 21.5409 k = 0.0208 0.0301 0.3856 ( 980 PWs) bands (ev): -4.3165 -4.3165 -4.3164 -4.3164 8.4618 8.4618 8.4620 8.4620 9.4225 9.4225 9.4254 9.4254 10.5817 10.5817 10.5848 10.5848 19.9859 19.9859 19.9901 19.9901 21.4750 21.4750 21.4778 21.4778 k = 0.0156 0.0226 0.3856 ( 980 PWs) bands (ev): -4.3227 -4.3227 -4.3226 -4.3226 8.5330 8.5330 8.5331 8.5331 9.3656 9.3656 9.3679 9.3679 10.5899 10.5899 10.5921 10.5921 20.0096 20.0096 20.0129 20.0129 21.4241 21.4241 21.4264 21.4264 k = 0.0104 0.0150 0.3856 ( 976 PWs) bands (ev): -4.3271 -4.3271 -4.3270 -4.3270 8.5912 8.5912 8.5912 8.5912 9.3178 9.3178 9.3193 9.3193 10.5959 10.5959 10.5974 10.5974 20.0281 20.0281 20.0304 20.0304 21.3866 21.3866 21.3883 21.3883 k = 0.0052 0.0075 0.3856 ( 976 PWs) bands (ev): -4.3297 -4.3297 -4.3297 -4.3297 8.6303 8.6303 8.6304 8.6304 9.2848 9.2848 9.2856 9.2856 10.5998 10.5998 10.6005 10.6005 20.0400 20.0400 20.0412 20.0412 21.3637 21.3637 21.3645 21.3645 k = 0.0000 0.0000 0.3856 ( 976 PWs) bands (ev): -4.3306 -4.3306 -4.3306 -4.3306 8.6444 8.6444 8.6444 8.6444 9.2731 9.2731 9.2731 9.2731 10.6013 10.6013 10.6013 10.6013 20.0445 20.0445 20.0445 20.0445 21.3562 21.3562 21.3562 21.3562 k = 0.0000 0.0000 0.3856 ( 976 PWs) bands (ev): -4.3306 -4.3306 -4.3306 -4.3306 8.6444 8.6444 8.6444 8.6444 9.2731 9.2731 9.2731 9.2731 10.6013 10.6013 10.6013 10.6013 20.0445 20.0445 20.0445 20.0445 21.3562 21.3562 21.3562 21.3562 k = 0.0000 0.0000 0.3764 ( 976 PWs) bands (ev): -4.4161 -4.4161 -4.2436 -4.2436 8.5069 8.5069 8.7817 8.7817 9.2230 9.2230 9.3236 9.3236 10.5702 10.5702 10.6326 10.6326 20.0278 20.0278 20.0569 20.0569 21.2727 21.2727 21.4431 21.4431 k = 0.0000 0.0000 0.3672 ( 975 PWs) bands (ev): -4.5001 -4.5001 -4.1553 -4.1553 8.3692 8.3692 8.9188 8.9188 9.1734 9.1734 9.3745 9.3745 10.5394 10.5394 10.6639 10.6639 20.0070 20.0070 20.0650 20.0650 21.1926 21.1926 21.5333 21.5333 k = 0.0000 0.0000 0.3580 ( 975 PWs) bands (ev): -4.5826 -4.5826 -4.0656 -4.0656 8.2316 8.2316 9.0553 9.0553 9.1244 9.1244 9.4256 9.4256 10.5089 10.5089 10.6953 10.6953 19.9821 19.9821 20.0688 20.0688 21.1160 21.1160 21.6268 21.6268 k = 0.0000 0.0000 0.3488 ( 975 PWs) bands (ev): -4.6635 -4.6635 -3.9747 -3.9747 8.0940 8.0940 9.0759 9.0759 9.1913 9.1913 9.4770 9.4770 10.4788 10.4788 10.7267 10.7267 19.9533 19.9533 20.0684 20.0684 21.0428 21.0428 21.7236 21.7236 k = 0.0000 0.0000 0.3397 ( 975 PWs) bands (ev): -4.7427 -4.7427 -3.8825 -3.8825 7.9566 7.9566 9.0281 9.0281 9.3264 9.3264 9.5285 9.5285 10.4494 10.4494 10.7579 10.7579 19.9209 19.9209 20.0637 20.0637 20.9732 20.9732 21.8235 21.8235 k = 0.0000 0.0000 0.3305 ( 979 PWs) bands (ev): -4.8203 -4.8203 -3.7892 -3.7892 7.8193 7.8193 8.9811 8.9811 9.4605 9.4605 9.5801 9.5801 10.4208 10.4208 10.7890 10.7890 19.8848 19.8848 20.0549 20.0549 20.9071 20.9071 21.9265 21.9265 k = 0.0000 0.0000 0.3213 ( 983 PWs) bands (ev): -4.8961 -4.8961 -3.6949 -3.6949 7.6824 7.6824 8.9347 8.9347 9.5928 9.5928 9.6320 9.6320 10.3935 10.3935 10.8199 10.8199 19.8455 19.8455 20.0422 20.0422 20.8447 20.8447 22.0326 22.0326 k = 0.0000 0.0000 0.3121 ( 983 PWs) bands (ev): -4.9702 -4.9702 -3.5995 -3.5995 7.5459 7.5459 8.8892 8.8892 9.6825 9.6825 9.7241 9.7241 10.3681 10.3681 10.8505 10.8505 19.8031 19.8031 20.0258 20.0258 20.7858 20.7858 22.1417 22.1417 k = 0.0000 0.0000 0.3029 ( 987 PWs) bands (ev): -5.0424 -5.0424 -3.5033 -3.5033 7.4099 7.4099 8.8446 8.8446 9.7341 9.7341 9.8505 9.8505 10.3460 10.3460 10.8808 10.8808 19.7579 19.7579 20.0059 20.0059 20.7306 20.7306 22.2538 22.2538 k = 0.0000 0.0000 0.2938 ( 995 PWs) bands (ev): -5.1129 -5.1129 -3.4063 -3.4063 7.2744 7.2744 8.8009 8.8009 9.7851 9.7851 9.9694 9.9694 10.3310 10.3310 10.9107 10.9107 19.7100 19.7100 19.9827 19.9827 20.6790 20.6790 22.3687 22.3687 k = 0.0000 0.0000 0.2846 ( 995 PWs) bands (ev): -5.1815 -5.1815 -3.3086 -3.3086 7.1397 7.1397 8.7581 8.7581 9.8358 9.8358 10.0706 10.0706 10.3336 10.3336 10.9402 10.9402 19.6599 19.6599 19.9566 19.9566 20.6312 20.6312 22.4864 22.4864 k = 0.0000 0.0000 0.2754 ( 995 PWs) bands (ev): -5.2482 -5.2482 -3.2102 -3.2102 7.0057 7.0057 8.7164 8.7164 9.8861 9.8861 10.1318 10.1318 10.3756 10.3756 10.9692 10.9692 19.6076 19.6076 19.9277 19.9277 20.5870 20.5870 22.6069 22.6069 k = 0.0000 0.0000 0.2662 ( 993 PWs) bands (ev): -5.3129 -5.3129 -3.1114 -3.1114 6.8725 6.8725 8.6756 8.6756 9.9359 9.9359 10.1470 10.1470 10.4631 10.4631 10.9977 10.9977 19.5535 19.5535 19.8964 19.8964 20.5465 20.5465 22.7301 22.7301 k = 0.0000 0.0000 0.2570 ( 989 PWs) bands (ev): -5.3757 -5.3757 -3.0122 -3.0122 6.7404 6.7404 8.6360 8.6360 9.9851 9.9851 10.1388 10.1388 10.5732 10.5732 11.0257 11.0257 19.4978 19.4978 19.8631 19.8631 20.5096 20.5096 22.8558 22.8558 k = 0.0000 0.0000 0.2479 ( 989 PWs) bands (ev): -5.4365 -5.4365 -2.9127 -2.9127 6.6093 6.6093 8.5975 8.5975 10.0335 10.0335 10.1220 10.1220 10.6911 10.6911 11.0531 11.0531 19.4406 19.4406 19.8279 19.8279 20.4764 20.4764 22.9839 22.9839 k = 0.0000 0.0000 0.2387 ( 989 PWs) bands (ev): -5.4953 -5.4953 -2.8131 -2.8131 6.4795 6.4795 8.5601 8.5601 10.0811 10.0811 10.1019 10.1019 10.8113 10.8113 11.0797 11.0797 19.3824 19.3824 19.7913 19.7913 20.4469 20.4469 23.1144 23.1144 k = 0.0000 0.0000 0.2295 ( 997 PWs) bands (ev): -5.5521 -5.5521 -2.7136 -2.7136 6.3510 6.3510 8.5238 8.5238 10.0805 10.0805 10.1278 10.1278 10.9316 10.9316 11.1057 11.1057 19.3231 19.3231 19.7535 19.7535 20.4210 20.4210 23.2472 23.2472 k = 0.0000 0.0000 0.2203 ( 997 PWs) bands (ev): -5.6068 -5.6068 -2.6143 -2.6143 6.2240 6.2240 8.4888 8.4888 10.0588 10.0588 10.1735 10.1735 11.0510 11.0510 11.1311 11.1311 19.2633 19.2633 19.7148 19.7148 20.3986 20.3986 23.3821 23.3821 k = 0.0000 0.0000 0.2111 ( 993 PWs) bands (ev): -5.6595 -5.6595 -2.5153 -2.5153 6.0986 6.0986 8.4551 8.4551 10.0372 10.0372 10.2183 10.2183 11.1531 11.1531 11.1717 11.1717 19.2030 19.2030 19.6756 19.6756 20.3797 20.3797 23.5189 23.5189 k = 0.0000 0.0000 0.2020 ( 997 PWs) bands (ev): -5.7100 -5.7100 -2.4169 -2.4169 5.9751 5.9751 8.4225 8.4225 10.0159 10.0159 10.2619 10.2619 11.1784 11.1784 11.2862 11.2862 19.1425 19.1425 19.6360 19.6360 20.3642 20.3642 23.6576 23.6576 k = 0.0000 0.0000 0.1928 ( 997 PWs) bands (ev): -5.7585 -5.7585 -2.3192 -2.3192 5.8536 5.8536 8.3913 8.3913 9.9952 9.9952 10.3042 10.3042 11.2013 11.2013 11.4003 11.4003 19.0819 19.0819 19.5965 19.5965 20.3521 20.3521 23.7979 23.7979 k = 0.0000 0.0000 0.1836 ( 997 PWs) bands (ev): -5.8048 -5.8048 -2.2226 -2.2226 5.7343 5.7343 8.3613 8.3613 9.9751 9.9751 10.3452 10.3452 11.2233 11.2233 11.5120 11.5120 19.0217 19.0217 19.5571 19.5571 20.3432 20.3432 23.9396 23.9396 k = 0.0000 0.0000 0.1744 ( 993 PWs) bands (ev): -5.8489 -5.8489 -2.1271 -2.1271 5.6175 5.6175 8.3327 8.3327 9.9558 9.9558 10.3849 10.3849 11.2443 11.2443 11.6211 11.6211 18.9619 18.9619 19.5183 19.5183 20.3375 20.3375 24.0825 24.0825 k = 0.0000 0.0000 0.1652 ( 993 PWs) bands (ev): -5.8909 -5.8909 -2.0331 -2.0331 5.5033 5.5033 8.3054 8.3054 9.9372 9.9372 10.4230 10.4230 11.2643 11.2643 11.7272 11.7272 18.9028 18.9028 19.4802 19.4802 20.3346 20.3346 24.2263 24.2263 k = 0.0000 0.0000 0.1561 ( 993 PWs) bands (ev): -5.9307 -5.9307 -1.9408 -1.9408 5.3921 5.3921 8.2796 8.2796 9.9194 9.9194 10.4596 10.4596 11.2834 11.2834 11.8300 11.8300 18.8446 18.8446 19.4429 19.4429 20.3346 20.3346 24.3708 24.3708 k = 0.0000 0.0000 0.1469 ( 993 PWs) bands (ev): -5.9683 -5.9683 -1.8507 -1.8507 5.2841 5.2841 8.2550 8.2550 9.9025 9.9025 10.4945 10.4945 11.3015 11.3015 11.9293 11.9293 18.7877 18.7877 19.4069 19.4069 20.3372 20.3372 24.5155 24.5155 k = 0.0000 0.0000 0.1377 ( 993 PWs) bands (ev): -6.0037 -6.0037 -1.7628 -1.7628 5.1797 5.1797 8.2319 8.2319 9.8864 9.8864 10.5277 10.5277 11.3185 11.3185 12.0247 12.0247 18.7322 18.7322 19.3721 19.3721 20.3421 20.3421 24.6600 24.6600 k = 0.0000 0.0000 0.1285 ( 993 PWs) bands (ev): -6.0368 -6.0368 -1.6778 -1.6778 5.0790 5.0790 8.2102 8.2102 9.8713 9.8713 10.5591 10.5591 11.3346 11.3346 12.1162 12.1162 18.6784 18.6784 19.3388 19.3388 20.3491 20.3491 24.8038 24.8038 k = 0.0000 0.0000 0.1193 ( 993 PWs) bands (ev): -6.0678 -6.0678 -1.5958 -1.5958 4.9827 4.9827 8.1900 8.1900 9.8572 9.8572 10.5886 10.5886 11.3496 11.3496 12.2032 12.2032 18.6266 18.6266 19.3072 19.3072 20.3581 20.3581 24.9463 24.9463 k = 0.0000 0.0000 0.1102 ( 987 PWs) bands (ev): -6.0964 -6.0964 -1.5173 -1.5173 4.8909 4.8909 8.1712 8.1712 9.8440 9.8440 10.6163 10.6163 11.3635 11.3635 12.2856 12.2856 18.5771 18.5771 19.2774 19.2774 20.3685 20.3685 25.0870 25.0870 k = 0.0000 0.0000 0.1010 ( 989 PWs) bands (ev): -6.1229 -6.1229 -1.4427 -1.4427 4.8042 4.8042 8.1537 8.1537 9.8319 9.8319 10.6419 10.6419 11.3764 11.3764 12.3629 12.3629 18.5301 18.5301 19.2495 19.2495 20.3802 20.3802 25.2248 25.2248 k = 0.0000 0.0000 0.0918 ( 989 PWs) bands (ev): -6.1470 -6.1470 -1.3724 -1.3724 4.7229 4.7229 8.1379 8.1379 9.8207 9.8207 10.6655 10.6655 11.3881 11.3881 12.4348 12.4348 18.4859 18.4859 19.2236 19.2236 20.3928 20.3928 25.1558 25.1558 k = 0.0000 0.0000 0.0826 ( 989 PWs) bands (ev): -6.1689 -6.1689 -1.3070 -1.3070 4.6475 4.6475 8.1235 8.1235 9.8105 9.8105 10.6870 10.6870 11.3988 11.3988 12.5011 12.5011 18.4448 18.4448 19.1999 19.1999 20.4058 20.4058 25.0534 25.0534 k = 0.0000 0.0000 0.0734 ( 989 PWs) bands (ev): -6.1885 -6.1885 -1.2468 -1.2468 4.5784 4.5784 8.1106 8.1106 9.8014 9.8014 10.7064 10.7064 11.4084 11.4084 12.5614 12.5614 18.4071 18.4071 19.1785 19.1785 20.4190 20.4190 24.9600 24.9600 k = 0.0000 0.0000 0.0643 ( 995 PWs) bands (ev): -6.2058 -6.2058 -1.1923 -1.1923 4.5161 4.5161 8.0992 8.0992 9.7934 9.7934 10.7235 10.7235 11.4167 11.4167 12.6153 12.6153 18.3731 18.3731 19.1593 19.1593 20.4318 20.4318 24.8761 24.8761 k = 0.0000 0.0000 0.0551 ( 995 PWs) bands (ev): -6.2208 -6.2208 -1.1439 -1.1439 4.4610 4.4610 8.0893 8.0893 9.7863 9.7863 10.7384 10.7384 11.4240 11.4240 12.6629 12.6629 18.3430 18.3430 19.1426 19.1426 20.4440 20.4440 24.8023 24.8023 k = 0.0000 0.0000 0.0459 ( 991 PWs) bands (ev): -6.2335 -6.2335 -1.1022 -1.1022 4.4136 4.4136 8.0810 8.0810 9.7804 9.7804 10.7512 10.7512 11.4303 11.4303 12.7036 12.7036 18.3171 18.3171 19.1284 19.1284 20.4550 20.4550 24.7391 24.7391 k = 0.0000 0.0000 0.0367 ( 995 PWs) bands (ev): -6.2439 -6.2439 -1.0674 -1.0674 4.3741 4.3741 8.0741 8.0741 9.7755 9.7755 10.7616 10.7616 11.4353 11.4353 12.7372 12.7372 18.2956 18.2956 19.1166 19.1166 20.4647 20.4647 24.6867 24.6867 k = 0.0000 0.0000 0.0275 ( 995 PWs) bands (ev): -6.2520 -6.2520 -1.0400 -1.0400 4.3430 4.3430 8.0688 8.0688 9.7717 9.7717 10.7697 10.7697 11.4393 11.4393 12.7637 12.7637 18.2787 18.2787 19.1075 19.1075 20.4725 20.4725 24.6456 24.6456 k = 0.0000 0.0000 0.0184 ( 995 PWs) bands (ev): -6.2578 -6.2578 -1.0202 -1.0202 4.3206 4.3206 8.0650 8.0650 9.7690 9.7690 10.7756 10.7756 11.4421 11.4421 12.7827 12.7827 18.2664 18.2664 19.1009 19.1009 20.4783 20.4783 24.6159 24.6159 k = 0.0000 0.0000 0.0092 ( 989 PWs) bands (ev): -6.2612 -6.2612 -1.0082 -1.0082 4.3071 4.3071 8.0627 8.0627 9.7674 9.7674 10.7791 10.7791 11.4440 11.4440 12.7943 12.7943 18.2591 18.2591 19.0969 19.0969 20.4819 20.4819 24.5981 24.5981 k = 0.0000 0.0000 0.0000 ( 985 PWs) bands (ev): -6.2624 -6.2624 -1.0042 -1.0042 4.3026 4.3026 8.0619 8.0619 9.7669 9.7669 10.7803 10.7803 11.4445 11.4445 12.7982 12.7982 18.2566 18.2566 19.0956 19.0956 20.4831 20.4831 24.5921 24.5921 k = 0.0000 0.0000 0.0000 ( 985 PWs) bands (ev): -6.2624 -6.2624 -1.0042 -1.0042 4.3026 4.3026 8.0619 8.0619 9.7669 9.7669 10.7803 10.7803 11.4445 11.4445 12.7982 12.7982 18.2566 18.2566 19.0956 19.0956 20.4831 20.4831 24.5921 24.5921 k =-0.0076 0.0052 0.0000 ( 985 PWs) bands (ev): -6.2613 -6.2613 -1.0040 -1.0040 4.3037 4.3037 8.0599 8.0599 9.7647 9.7647 10.7808 10.7808 11.4399 11.4399 12.7970 12.7970 18.2604 18.2604 19.0983 19.0983 20.4862 20.4862 24.5868 24.5868 k =-0.0152 0.0105 0.0000 ( 991 PWs) bands (ev): -6.2582 -6.2582 -1.0034 -1.0034 4.3067 4.3067 8.0537 8.0537 9.7583 9.7583 10.7824 10.7824 11.4257 11.4257 12.7931 12.7931 18.2716 18.2716 19.1061 19.1061 20.4953 20.4953 24.5710 24.5710 k =-0.0227 0.0157 0.0000 ( 995 PWs) bands (ev): -6.2528 -6.2528 -1.0024 -1.0024 4.3118 4.3118 8.0437 8.0437 9.7475 9.7475 10.7850 10.7850 11.4026 11.4026 12.7868 12.7868 18.2901 18.2901 19.1192 19.1192 20.5105 20.5105 24.5450 24.5450 k =-0.0303 0.0210 0.0000 ( 995 PWs) bands (ev): -6.2454 -6.2454 -1.0011 -1.0011 4.3190 4.3190 8.0297 8.0297 9.7325 9.7325 10.7885 10.7885 11.3706 11.3706 12.7781 12.7781 18.3155 18.3155 19.1374 19.1374 20.5318 20.5318 24.5091 24.5091 k =-0.0379 0.0262 0.0000 ( 997 PWs) bands (ev): -6.2359 -6.2359 -0.9993 -0.9993 4.3281 4.3281 8.0119 8.0119 9.7132 9.7132 10.7929 10.7929 11.3303 11.3303 12.7670 12.7670 18.3476 18.3476 19.1605 19.1605 20.5592 20.5592 24.4641 24.4641 k =-0.0455 0.0315 0.0000 ( 993 PWs) bands (ev): -6.2242 -6.2242 -0.9973 -0.9973 4.3394 4.3394 7.9905 7.9905 9.6897 9.6897 10.7980 10.7980 11.2819 11.2819 12.7534 12.7534 18.3857 18.3857 19.1885 19.1885 20.5926 20.5926 24.4105 24.4105 k =-0.0530 0.0367 0.0000 ( 993 PWs) bands (ev): -6.2104 -6.2104 -0.9948 -0.9948 4.3526 4.3526 7.9656 7.9656 9.6619 9.6619 10.8038 10.8038 11.2262 11.2262 12.7374 12.7374 18.4293 18.4293 19.2212 19.2212 20.6321 20.6321 24.3491 24.3491 k =-0.0606 0.0420 0.0000 ( 993 PWs) bands (ev): -6.1946 -6.1946 -0.9921 -0.9921 4.3679 4.3679 7.9375 7.9375 9.6297 9.6297 10.8100 10.8100 11.1637 11.1637 12.7190 12.7190 18.4776 18.4776 19.2584 19.2584 20.6777 20.6777 24.2808 24.2808 k =-0.0682 0.0472 0.0000 ( 993 PWs) bands (ev): -6.1766 -6.1766 -0.9890 -0.9890 4.3852 4.3852 7.9062 7.9062 9.5933 9.5933 10.8166 10.8166 11.0952 11.0952 12.6983 12.6983 18.5299 18.5299 19.3000 19.3000 20.7292 20.7292 24.2062 24.2062 k =-0.0758 0.0525 0.0000 ( 993 PWs) bands (ev): -6.1565 -6.1565 -0.9857 -0.9857 4.4045 4.4045 7.8721 7.8721 9.5524 9.5524 10.8233 10.8233 11.0214 11.0214 12.6753 12.6753 18.5853 18.5853 19.3459 19.3459 20.7867 20.7867 24.1263 24.1263 k =-0.0833 0.0577 0.0000 ( 993 PWs) bands (ev): -6.1344 -6.1344 -0.9821 -0.9821 4.4258 4.4258 7.8353 7.8353 9.5071 9.5071 10.8300 10.8300 10.9432 10.9432 12.6500 12.6500 18.6427 18.6427 19.3959 19.3959 20.8502 20.8502 24.0417 24.0417 k =-0.0909 0.0630 0.0000 ( 985 PWs) bands (ev): -6.1102 -6.1102 -0.9784 -0.9784 4.4492 4.4492 7.7961 7.7961 9.4573 9.4573 10.8360 10.8360 10.8621 10.8621 12.6226 12.6226 18.7013 18.7013 19.4500 19.4500 20.9196 20.9196 23.9531 23.9531 k =-0.0985 0.0682 0.0000 ( 989 PWs) bands (ev): -6.0840 -6.0840 -0.9744 -0.9744 4.4745 4.4745 7.7547 7.7547 9.4028 9.4028 10.7757 10.7757 10.8440 10.8440 12.5930 12.5930 18.7599 18.7599 19.5082 19.5082 20.9949 20.9949 23.8613 23.8613 k =-0.1061 0.0734 0.0000 ( 989 PWs) bands (ev): -6.0558 -6.0558 -0.9703 -0.9703 4.5017 4.5017 7.7113 7.7113 9.3437 9.3437 10.6891 10.6891 10.8499 10.8499 12.5612 12.5612 18.8173 18.8173 19.5706 19.5706 21.0760 21.0760 23.7667 23.7667 k =-0.1136 0.0787 0.0000 ( 993 PWs) bands (ev): -6.0255 -6.0255 -0.9661 -0.9661 4.5310 4.5310 7.6661 7.6661 9.2796 9.2796 10.6011 10.6011 10.8554 10.8554 12.5273 12.5273 18.8723 18.8723 19.6372 19.6372 21.1629 21.1629 23.6699 23.6699 k =-0.1212 0.0839 0.0000 ( 993 PWs) bands (ev): -5.9932 -5.9932 -0.9618 -0.9618 4.5621 4.5621 7.6193 7.6193 9.2105 9.2105 10.5127 10.5127 10.8605 10.8605 12.4914 12.4914 18.9239 18.9239 19.7080 19.7080 21.2554 21.2554 23.5716 23.5716 k =-0.1288 0.0892 0.0000 ( 991 PWs) bands (ev): -5.9590 -5.9590 -0.9575 -0.9575 4.5952 4.5952 7.5712 7.5712 9.1365 9.1365 10.4248 10.4248 10.8649 10.8649 12.4536 12.4536 18.9709 18.9709 19.7830 19.7830 21.3537 21.3537 23.4720 23.4720 k =-0.1364 0.0944 0.0000 ( 991 PWs) bands (ev): -5.9227 -5.9227 -0.9532 -0.9532 4.6303 4.6303 7.5220 7.5220 9.0571 9.0571 10.3379 10.3379 10.8687 10.8687 12.4138 12.4138 19.0125 19.0125 19.8620 19.8620 21.4575 21.4575 23.3716 23.3716 k =-0.1439 0.0997 0.0000 ( 991 PWs) bands (ev): -5.8846 -5.8846 -0.9490 -0.9490 4.6672 4.6672 7.4717 7.4717 8.9725 8.9725 10.2527 10.2527 10.8716 10.8716 12.3722 12.3722 19.0479 19.0479 19.9449 19.9449 21.5668 21.5668 23.2708 23.2708 k =-0.1515 0.1049 0.0000 ( 991 PWs) bands (ev): -5.8445 -5.8445 -0.9450 -0.9450 4.7060 4.7060 7.4206 7.4206 8.8827 8.8827 10.1698 10.1698 10.8738 10.8738 12.3288 12.3288 19.0765 19.0765 20.0312 20.0312 21.6816 21.6816 23.1698 23.1698 k =-0.1591 0.1102 0.0000 ( 991 PWs) bands (ev): -5.8025 -5.8025 -0.9411 -0.9411 4.7467 4.7467 7.3689 7.3689 8.7879 8.7879 10.0896 10.0896 10.8750 10.8750 12.2836 12.2836 19.0978 19.0978 20.1205 20.1205 21.8016 21.8016 23.0691 23.0691 k =-0.1667 0.1154 0.0000 ( 991 PWs) bands (ev): -5.7587 -5.7587 -0.9375 -0.9375 4.7893 4.7893 7.3167 7.3167 8.6883 8.6883 10.0123 10.0123 10.8754 10.8754 12.2368 12.2368 19.1117 19.1117 20.2122 20.2122 21.9268 21.9268 22.9687 22.9687 k =-0.1742 0.1207 0.0000 ( 987 PWs) bands (ev): -5.7130 -5.7130 -0.9342 -0.9342 4.8336 4.8336 7.2642 7.2642 8.5842 8.5842 9.9383 9.9383 10.8749 10.8749 12.1883 12.1883 19.1180 19.1180 20.3058 20.3058 22.0571 22.0571 22.8690 22.8690 k =-0.1818 0.1259 0.0000 ( 991 PWs) bands (ev): -5.6655 -5.6655 -0.9313 -0.9313 4.8797 4.8797 7.2114 7.2114 8.4759 8.4759 9.8674 9.8674 10.8735 10.8735 12.1382 12.1382 19.1167 19.1167 20.4004 20.4004 22.1924 22.1924 22.7702 22.7702 k =-0.1894 0.1311 0.0000 ( 995 PWs) bands (ev): -5.6162 -5.6162 -0.9288 -0.9288 4.9277 4.9277 7.1587 7.1587 8.3638 8.3638 9.7998 9.7998 10.8712 10.8712 12.0865 12.0865 19.1079 19.1079 20.4954 20.4954 22.3326 22.3326 22.6724 22.6724 k =-0.1970 0.1364 0.0000 ( 995 PWs) bands (ev): -5.5652 -5.5652 -0.9269 -0.9269 4.9773 4.9773 7.1060 7.1060 8.2486 8.2486 9.7355 9.7355 10.8681 10.8681 12.0333 12.0333 19.0918 19.0918 20.5900 20.5900 22.4775 22.4775 22.5758 22.5758 k =-0.2045 0.1416 0.0000 ( 995 PWs) bands (ev): -5.5124 -5.5124 -0.9255 -0.9255 5.0287 5.0287 7.0535 7.0535 8.1305 8.1305 9.6744 9.6744 10.8641 10.8641 11.9787 11.9787 19.0688 19.0688 20.6836 20.6836 22.4806 22.4806 22.6269 22.6269 k =-0.2121 0.1469 0.0000 ( 997 PWs) bands (ev): -5.4580 -5.4580 -0.9248 -0.9248 5.0818 5.0818 7.0013 7.0013 8.0103 8.0103 9.6162 9.6162 10.8593 10.8593 11.9227 11.9227 19.0391 19.0391 20.7753 20.7753 22.3868 22.3868 22.7808 22.7808 k =-0.2197 0.1521 0.0000 ( 995 PWs) bands (ev): -5.4020 -5.4020 -0.9248 -0.9248 5.1365 5.1365 6.9495 6.9495 7.8882 7.8882 9.5611 9.5611 10.8537 10.8537 11.8654 11.8654 19.0032 19.0032 20.8644 20.8644 22.2947 22.2947 22.9390 22.9390 k =-0.2273 0.1574 0.0000 ( 995 PWs) bands (ev): -5.3444 -5.3444 -0.9256 -0.9256 5.1928 5.1928 6.8982 6.8982 7.7648 7.7648 9.5087 9.5087 10.8475 10.8475 11.8067 11.8067 18.9616 18.9616 20.9501 20.9501 22.2043 22.2043 22.7811 22.7811 k =-0.2348 0.1626 0.0000 ( 1000 PWs) bands (ev): -5.2852 -5.2852 -0.9273 -0.9273 5.2507 5.2507 6.8476 6.8476 7.6405 7.6405 9.4589 9.4589 10.8405 10.8405 11.7467 11.7467 18.9144 18.9144 21.0317 21.0317 22.1157 22.1157 22.5901 22.5901 k =-0.2424 0.1679 0.0000 ( 1000 PWs) bands (ev): -5.2245 -5.2245 -0.9299 -0.9299 5.3101 5.3101 6.7976 6.7976 7.5157 7.5157 9.4118 9.4118 10.8330 10.8330 11.6856 11.6856 18.8625 18.8625 21.1085 21.1085 22.0289 22.0289 22.4027 22.4027 k =-0.2500 0.1731 0.0000 ( 1000 PWs) bands (ev): -5.1624 -5.1624 -0.9336 -0.9336 5.3710 5.3710 6.7483 6.7483 7.3909 7.3909 9.3671 9.3671 10.8248 10.8248 11.6232 11.6232 18.8063 18.8063 21.1799 21.1799 21.9442 21.9442 22.2190 22.2190 k =-0.2576 0.1784 0.0000 ( 1000 PWs) bands (ev): -5.0990 -5.0990 -0.9383 -0.9383 5.4333 5.4333 6.6999 6.6999 7.2664 7.2664 9.3248 9.3248 10.8162 10.8162 11.5597 11.5597 18.7462 18.7462 21.2453 21.2453 21.8615 21.8615 22.0392 22.0392 k =-0.2652 0.1836 0.0000 ( 1004 PWs) bands (ev): -5.0342 -5.0342 -0.9443 -0.9443 5.4970 5.4970 6.6524 6.6524 7.1426 7.1426 9.2847 9.2847 10.8071 10.8071 11.4952 11.4952 18.6828 18.6828 21.3042 21.3042 21.7809 21.7809 21.8634 21.8634 k =-0.2727 0.1889 0.0000 ( 1004 PWs) bands (ev): -4.9681 -4.9681 -0.9515 -0.9515 5.5620 5.5620 6.6059 6.6059 7.0197 7.0197 9.2469 9.2469 10.7976 10.7976 11.4296 11.4296 18.6166 18.6166 21.3562 21.3562 21.6917 21.6917 21.7024 21.7024 k =-0.2803 0.1941 0.0000 ( 1006 PWs) bands (ev): -4.9009 -4.9009 -0.9600 -0.9600 5.6282 5.6282 6.5604 6.5604 6.8982 6.8982 9.2111 9.2111 10.7878 10.7878 11.3631 11.3631 18.5480 18.5480 21.4012 21.4012 21.5244 21.5244 21.6262 21.6262 k =-0.2879 0.1993 0.0000 ( 998 PWs) bands (ev): -4.8325 -4.8325 -0.9700 -0.9700 5.6956 5.6956 6.5161 6.5161 6.7782 6.7782 9.1776 9.1776 10.7778 10.7778 11.2958 11.2958 18.4776 18.4776 21.3615 21.3615 21.4392 21.4392 21.5522 21.5522 k =-0.2955 0.2046 0.0000 ( 998 PWs) bands (ev): -4.7631 -4.7631 -0.9814 -0.9814 5.7641 5.7641 6.4728 6.4728 6.6601 6.6601 9.1460 9.1460 10.7675 10.7675 11.2274 11.2274 18.4057 18.4057 21.2033 21.2033 21.4701 21.4701 21.4806 21.4806 k =-0.3030 0.2098 0.0000 ( 998 PWs) bands (ev): -4.6928 -4.6928 -0.9943 -0.9943 5.8337 5.8337 6.4308 6.4308 6.5441 6.5441 9.1163 9.1163 10.7570 10.7570 11.1583 11.1583 18.3328 18.3328 21.0497 21.0497 21.4113 21.4113 21.4942 21.4942 k =-0.3106 0.2151 0.0000 ( 994 PWs) bands (ev): -4.6216 -4.6216 -1.0088 -1.0088 5.9042 5.9042 6.3899 6.3899 6.4306 6.4306 9.0885 9.0885 10.7466 10.7466 11.0885 11.0885 18.2593 18.2593 20.9010 20.9010 21.3444 21.3444 21.5119 21.5119 k =-0.3182 0.2203 0.0000 ( 994 PWs) bands (ev): -4.5496 -4.5496 -1.0249 -1.0249 5.9754 5.9754 6.3193 6.3193 6.3508 6.3508 9.0626 9.0626 10.7359 10.7359 11.0180 11.0180 18.1856 18.1856 20.7573 20.7573 21.2799 21.2799 21.5236 21.5236 k =-0.3258 0.2256 0.0000 ( 994 PWs) bands (ev): -4.4771 -4.4771 -1.0426 -1.0426 6.0474 6.0474 6.2113 6.2113 6.3125 6.3125 9.0384 9.0384 10.7252 10.7252 10.9469 10.9469 18.1122 18.1122 20.6186 20.6186 21.2178 21.2178 21.5299 21.5299 k =-0.3333 0.2308 0.0000 ( 990 PWs) bands (ev): -4.4040 -4.4040 -1.0621 -1.0621 6.1062 6.1062 6.1202 6.1202 6.2757 6.2757 9.0159 9.0159 10.7146 10.7146 10.8755 10.8755 18.0392 18.0392 20.4851 20.4851 21.1583 21.1583 21.5314 21.5314 k =-0.3409 0.2361 0.0000 ( 990 PWs) bands (ev): -4.3305 -4.3305 -1.0833 -1.0833 6.0044 6.0044 6.1930 6.1930 6.2405 6.2405 8.9951 8.9951 10.7038 10.7038 10.8038 10.8038 17.9672 17.9672 20.3569 20.3569 21.1012 21.1012 21.5287 21.5287 k =-0.3485 0.2413 0.0000 ( 986 PWs) bands (ev): -4.2567 -4.2567 -1.1061 -1.1061 5.9061 5.9061 6.2062 6.2062 6.2668 6.2668 8.9759 8.9759 10.6924 10.6924 10.7330 10.7330 17.8964 17.8964 20.2340 20.2340 21.0466 21.0466 21.5223 21.5223 k =-0.3561 0.2466 0.0000 ( 986 PWs) bands (ev): -4.1829 -4.1829 -1.1306 -1.1306 5.8114 5.8114 6.1739 6.1739 6.3402 6.3402 8.9582 8.9582 10.6558 10.6558 10.6872 10.6872 17.8270 17.8270 20.1166 20.1166 20.9946 20.9946 21.5130 21.5130 k =-0.3636 0.2518 0.0000 ( 986 PWs) bands (ev): -4.1091 -4.1091 -1.1568 -1.1568 5.7205 5.7205 6.1429 6.1429 6.4137 6.4137 8.9420 8.9420 10.5856 10.5856 10.6755 10.6755 17.7595 17.7595 20.0048 20.0048 20.9452 20.9452 21.5012 21.5012 k =-0.3712 0.2571 0.0000 ( 982 PWs) bands (ev): -4.0356 -4.0356 -1.1845 -1.1845 5.6337 5.6337 6.1135 6.1135 6.4870 6.4870 8.9272 8.9272 10.5140 10.5140 10.6656 10.6656 17.6940 17.6940 19.8985 19.8985 20.8984 20.8984 21.4876 21.4876 k =-0.3788 0.2623 0.0000 ( 980 PWs) bands (ev): -3.9625 -3.9625 -1.2138 -1.2138 5.5509 5.5509 6.0857 6.0857 6.5598 6.5598 8.9137 8.9137 10.4428 10.4428 10.6563 10.6563 17.6309 17.6309 19.7980 19.7980 20.8541 20.8541 21.4725 21.4725 k =-0.3864 0.2675 0.0000 ( 982 PWs) bands (ev): -3.8902 -3.8902 -1.2444 -1.2444 5.4725 5.4725 6.0594 6.0594 6.6319 6.6319 8.9015 8.9015 10.3721 10.3721 10.6474 10.6474 17.5703 17.5703 19.7033 19.7033 20.8125 20.8125 21.4564 21.4564 k =-0.3939 0.2728 0.0000 ( 978 PWs) bands (ev): -3.8189 -3.8189 -1.2762 -1.2762 5.3985 5.3985 6.0347 6.0347 6.7030 6.7030 8.8904 8.8904 10.3026 10.3026 10.6389 10.6389 17.5126 17.5126 19.6144 19.6144 20.7735 20.7735 21.4398 21.4398 k =-0.4015 0.2780 0.0000 ( 978 PWs) bands (ev): -3.7489 -3.7489 -1.3090 -1.3090 5.3291 5.3291 6.0117 6.0117 6.7728 6.7728 8.8805 8.8805 10.2342 10.2342 10.6309 10.6309 17.4578 17.4578 19.5314 19.5314 20.7371 20.7371 21.4230 21.4230 k =-0.4091 0.2833 0.0000 ( 980 PWs) bands (ev): -3.6805 -3.6805 -1.3426 -1.3426 5.2644 5.2644 5.9903 5.9903 6.8408 6.8408 8.8716 8.8716 10.1675 10.1675 10.6234 10.6234 17.4063 17.4063 19.4543 19.4543 20.7034 20.7034 21.4064 21.4064 k =-0.4167 0.2885 0.0000 ( 984 PWs) bands (ev): -3.6141 -3.6141 -1.3766 -1.3766 5.2044 5.2044 5.9704 5.9704 6.9067 6.9067 8.8638 8.8638 10.1028 10.1028 10.6164 10.6164 17.3582 17.3582 19.3832 19.3832 20.6724 20.6724 21.3901 21.3901 k =-0.4242 0.2938 0.0000 ( 984 PWs) bands (ev): -3.5502 -3.5502 -1.4108 -1.4108 5.1494 5.1494 5.9523 5.9523 6.9700 6.9700 8.8568 8.8568 10.0406 10.0406 10.6099 10.6099 17.3136 17.3136 19.3182 19.3182 20.6440 20.6440 21.3746 21.3746 k =-0.4318 0.2990 0.0000 ( 988 PWs) bands (ev): -3.4892 -3.4892 -1.4446 -1.4446 5.0994 5.0994 5.9359 5.9359 7.0302 7.0302 8.8507 8.8507 9.9815 9.9815 10.6038 10.6038 17.2728 17.2728 19.2593 19.2593 20.6183 20.6183 21.3599 21.3599 k =-0.4394 0.3043 0.0000 ( 990 PWs) bands (ev): -3.4317 -3.4317 -1.4776 -1.4776 5.0544 5.0544 5.9212 5.9212 7.0867 7.0867 8.8455 8.8455 9.9259 9.9259 10.5984 10.5984 17.2359 17.2359 19.2064 19.2064 20.5953 20.5953 21.3463 21.3463 k =-0.4470 0.3095 0.0000 ( 994 PWs) bands (ev): -3.3784 -3.3784 -1.5092 -1.5092 5.0146 5.0146 5.9082 5.9082 7.1389 7.1389 8.8408 8.8408 9.8746 9.8746 10.5936 10.5936 17.2030 17.2030 19.1597 19.1597 20.5750 20.5750 21.3339 21.3339 k =-0.4545 0.3148 0.0000 ( 998 PWs) bands (ev): -3.3299 -3.3299 -1.5388 -1.5388 4.9799 4.9799 5.8968 5.8968 7.1861 7.1861 8.8370 8.8370 9.8281 9.8281 10.5894 10.5894 17.1743 17.1743 19.1192 19.1192 20.5574 20.5574 21.3229 21.3229 k =-0.4621 0.3200 0.0000 ( 1000 PWs) bands (ev): -3.2870 -3.2870 -1.5656 -1.5656 4.9505 4.9505 5.8873 5.8873 7.2276 7.2276 8.8339 8.8339 9.7872 9.7872 10.5858 10.5858 17.1498 17.1498 19.0848 19.0848 20.5425 20.5425 21.3135 21.3135 k =-0.4697 0.3253 0.0000 ( 1004 PWs) bands (ev): -3.2505 -3.2505 -1.5890 -1.5890 4.9264 4.9264 5.8794 5.8794 7.2628 7.2628 8.8314 8.8314 9.7526 9.7526 10.5829 10.5829 17.1296 17.1296 19.0567 19.0567 20.5303 20.5303 21.3056 21.3056 k =-0.4773 0.3305 0.0000 ( 1000 PWs) bands (ev): -3.2211 -3.2211 -1.6081 -1.6081 4.9076 4.9076 5.8733 5.8733 7.2910 7.2910 8.8296 8.8296 9.7248 9.7248 10.5806 10.5806 17.1139 17.1139 19.0349 19.0349 20.5208 20.5208 21.2994 21.2994 k =-0.4848 0.3357 0.0000 ( 1000 PWs) bands (ev): -3.1995 -3.1995 -1.6223 -1.6223 4.8942 4.8942 5.8689 5.8689 7.3116 7.3116 8.8282 8.8282 9.7045 9.7045 10.5789 10.5789 17.1026 17.1026 19.0192 19.0192 20.5140 20.5140 21.2949 21.2949 k =-0.4924 0.3410 0.0000 ( 996 PWs) bands (ev): -3.1863 -3.1863 -1.6311 -1.6311 4.8861 4.8861 5.8663 5.8663 7.3243 7.3243 8.8275 8.8275 9.6922 9.6922 10.5779 10.5779 17.0958 17.0958 19.0098 19.0098 20.5099 20.5099 21.2922 21.2922 k =-0.5000 0.3462 0.0000 ( 992 PWs) bands (ev): -3.1818 -3.1818 -1.6341 -1.6341 4.8835 4.8835 5.8654 5.8654 7.3285 7.3285 8.8273 8.8273 9.6880 9.6880 10.5776 10.5776 17.0935 17.0935 19.0067 19.0067 20.5085 20.5085 21.2913 21.2913 k =-0.5000 0.3462 0.0000 ( 992 PWs) bands (ev): -3.1818 -3.1818 -1.6341 -1.6341 4.8835 4.8835 5.8654 5.8654 7.3285 7.3285 8.8273 8.8273 9.6880 9.6880 10.5776 10.5776 17.0935 17.0935 19.0067 19.0067 20.5085 20.5085 21.2913 21.2913 k =-0.4948 0.3538-0.0000 ( 996 PWs) bands (ev): -3.1810 -3.1810 -1.6352 -1.6352 4.8795 4.8795 5.8703 5.8703 7.3295 7.3295 8.8274 8.8274 9.6862 9.6862 10.5755 10.5755 17.0968 17.0968 18.9941 18.9941 20.5258 20.5258 21.2950 21.2950 k =-0.4896 0.3613-0.0000 ( 988 PWs) bands (ev): -3.1787 -3.1787 -1.6386 -1.6386 4.8680 4.8680 5.8848 5.8848 7.3324 7.3324 8.8281 8.8281 9.6807 9.6807 10.5692 10.5692 17.1066 17.1066 18.9581 18.9581 20.5758 20.5758 21.3062 21.3062 k =-0.4844 0.3688-0.0000 ( 988 PWs) bands (ev): -3.1748 -3.1748 -1.6442 -1.6442 4.8496 4.8496 5.9079 5.9079 7.3373 7.3373 8.8292 8.8292 9.6715 9.6715 10.5587 10.5587 17.1229 17.1229 18.9030 18.9030 20.6543 20.6543 21.3248 21.3248 k =-0.4792 0.3763-0.0000 ( 992 PWs) bands (ev): -3.1694 -3.1694 -1.6521 -1.6521 4.8253 4.8253 5.9388 5.9388 7.3440 7.3440 8.8307 8.8307 9.6585 9.6585 10.5442 10.5442 17.1456 17.1456 18.8339 18.8339 20.7559 20.7559 21.3506 21.3506 k =-0.4740 0.3838-0.0000 ( 992 PWs) bands (ev): -3.1624 -3.1624 -1.6623 -1.6623 4.7964 4.7964 5.9765 5.9765 7.3528 7.3528 8.8325 8.8325 9.6420 9.6420 10.5257 10.5257 17.1747 17.1747 18.7558 18.7558 20.8758 20.8758 21.3836 21.3836 k =-0.4688 0.3913-0.0000 ( 988 PWs) bands (ev): -3.1538 -3.1538 -1.6747 -1.6747 4.7639 4.7639 6.0198 6.0198 7.3636 7.3636 8.8345 8.8345 9.6218 9.6218 10.5037 10.5037 17.2099 17.2099 18.6726 18.6726 21.0101 21.0101 21.4237 21.4237 k =-0.4636 0.3988-0.0000 ( 990 PWs) bands (ev): -3.1438 -3.1438 -1.6895 -1.6895 4.7290 4.7290 6.0677 6.0677 7.3762 7.3762 8.8367 8.8367 9.5979 9.5979 10.4781 10.4781 17.2513 17.2513 18.5870 18.5870 21.1558 21.1558 21.4705 21.4705 k =-0.4584 0.4064-0.0000 ( 994 PWs) bands (ev): -3.1322 -3.1322 -1.7067 -1.7067 4.6924 4.6924 6.1195 6.1195 7.3908 7.3908 8.8388 8.8388 9.5703 9.5703 10.4495 10.4495 17.2984 17.2984 18.5013 18.5013 21.3105 21.3105 21.5239 21.5239 k =-0.4532 0.4139-0.0000 ( 994 PWs) bands (ev): -3.1191 -3.1191 -1.7262 -1.7262 4.6551 4.6551 6.1745 6.1745 7.4074 7.4074 8.8408 8.8408 9.5392 9.5392 10.4181 10.4181 17.3513 17.3513 18.4172 18.4172 21.4727 21.4727 21.5836 21.5836 k =-0.4480 0.4214-0.0000 ( 994 PWs) bands (ev): -3.1046 -3.1046 -1.7481 -1.7481 4.6177 4.6177 6.2321 6.2321 7.4259 7.4259 8.8425 8.8425 9.5046 9.5046 10.3843 10.3843 17.4096 17.4096 18.3356 18.3356 21.6410 21.6410 21.6495 21.6495 k =-0.4427 0.4289-0.0000 ( 994 PWs) bands (ev): -3.0885 -3.0885 -1.7724 -1.7724 4.5807 4.5807 6.2919 6.2919 7.4463 7.4463 8.8436 8.8436 9.4664 9.4664 10.3486 10.3486 17.4731 17.4731 18.2576 18.2576 21.7210 21.7210 21.8145 21.8145 k =-0.4375 0.4364-0.0000 ( 994 PWs) bands (ev): -3.0711 -3.0711 -1.7992 -1.7992 4.5448 4.5448 6.3536 6.3536 7.4686 7.4686 8.8439 8.8439 9.4248 9.4248 10.3114 10.3114 17.5416 17.5416 18.1837 18.1837 21.7980 21.7980 21.9923 21.9923 k =-0.4323 0.4439-0.0000 ( 988 PWs) bands (ev): -3.0521 -3.0521 -1.8285 -1.8285 4.5102 4.5102 6.4169 6.4169 7.4929 7.4929 8.8431 8.8431 9.3797 9.3797 10.2734 10.2734 17.6146 17.6146 18.1144 18.1144 21.8801 21.8801 22.1737 22.1737 k =-0.4271 0.4515-0.0000 ( 992 PWs) bands (ev): -3.0318 -3.0318 -1.8602 -1.8602 4.4773 4.4773 6.4815 6.4815 7.5191 7.5191 8.8409 8.8409 9.3311 9.3311 10.2347 10.2347 17.6919 17.6919 18.0501 18.0501 21.9669 21.9669 22.3581 22.3581 k =-0.4219 0.4590-0.0000 ( 992 PWs) bands (ev): -3.0101 -3.0101 -1.8945 -1.8945 4.4465 4.4465 6.5472 6.5472 7.5472 7.5472 8.8367 8.8367 9.2794 9.2794 10.1965 10.1965 17.7732 17.7732 17.9911 17.9911 22.0581 22.0581 22.5451 22.5451 k =-0.4167 0.4665-0.0000 ( 992 PWs) bands (ev): -2.9870 -2.9870 -1.9312 -1.9312 4.4181 4.4181 6.6140 6.6140 7.5772 7.5772 8.8303 8.8303 9.2245 9.2245 10.1591 10.1591 17.8580 17.8580 17.9377 17.9377 22.1533 22.1533 22.7341 22.7341 k =-0.4115 0.4740-0.0000 ( 992 PWs) bands (ev): -2.9626 -2.9626 -1.9705 -1.9705 4.3922 4.3922 6.6817 6.6817 7.6090 7.6090 8.8212 8.8212 9.1665 9.1665 10.1233 10.1233 17.8899 17.8899 17.9459 17.9459 22.2520 22.2520 22.9247 22.9247 k =-0.4063 0.4815-0.0000 ( 994 PWs) bands (ev): -2.9369 -2.9369 -2.0122 -2.0122 4.3691 4.3691 6.7503 6.7503 7.6428 7.6428 8.8090 8.8090 9.1054 9.1054 10.0897 10.0897 17.8479 17.8479 18.0366 18.0366 22.3538 22.3538 23.1165 23.1165 k =-0.4011 0.4890-0.0000 ( 994 PWs) bands (ev): -2.9099 -2.9099 -2.0564 -2.0564 4.3490 4.3490 6.8196 6.8196 7.6785 7.6785 8.7933 8.7933 9.0415 9.0415 10.0590 10.0590 17.8118 17.8118 18.1295 18.1295 22.4584 22.4584 23.3090 23.3090 k =-0.3959 0.4966-0.0000 ( 990 PWs) bands (ev): -2.8817 -2.8817 -2.1031 -2.1031 4.3320 4.3320 6.8897 6.8897 7.7160 7.7160 8.7737 8.7737 8.9749 8.9749 10.0319 10.0319 17.7816 17.7816 18.2242 18.2242 22.5653 22.5653 23.5019 23.5019 k =-0.3907 0.5041-0.0000 ( 990 PWs) bands (ev): -2.8523 -2.8523 -2.1522 -2.1522 4.3184 4.3184 6.9604 6.9604 7.7554 7.7554 8.7498 8.7498 8.9056 8.9056 10.0087 10.0087 17.7574 17.7574 18.3201 18.3201 22.6739 22.6739 23.6947 23.6947 k =-0.3855 0.5116-0.0000 ( 990 PWs) bands (ev): -2.8217 -2.8217 -2.2037 -2.2037 4.3081 4.3081 7.0317 7.0317 7.7966 7.7966 8.7215 8.7215 8.8338 8.8338 9.9898 9.9898 17.7391 17.7391 18.4168 18.4168 22.7837 22.7837 23.8871 23.8871 k =-0.3803 0.5191-0.0000 ( 994 PWs) bands (ev): -2.7900 -2.7900 -2.2575 -2.2575 4.3013 4.3013 7.1037 7.1037 7.8396 7.8396 8.6887 8.6887 8.7597 8.7597 9.9756 9.9756 17.7268 17.7268 18.5137 18.5137 22.8943 22.8943 24.0786 24.0786 k =-0.3751 0.5266-0.0000 ( 994 PWs) bands (ev): -2.7573 -2.7573 -2.3136 -2.3136 4.2980 4.2980 7.1762 7.1762 7.8845 7.8845 8.6513 8.6513 8.6835 8.6835 9.9661 9.9661 17.7203 17.7203 18.6102 18.6102 23.0052 23.0052 24.2688 24.2688 k =-0.3699 0.5341-0.0000 ( 994 PWs) bands (ev): -2.7235 -2.7235 -2.3719 -2.3719 4.2985 4.2985 7.2493 7.2493 7.9312 7.9312 8.6024 8.6024 8.6128 8.6128 9.9614 9.9614 17.7196 17.7196 18.7059 18.7059 23.1157 23.1157 24.4574 24.4574 k =-0.3699 0.5341-0.0000 ( 994 PWs) bands (ev): -2.7235 -2.7235 -2.3719 -2.3719 4.2985 4.2985 7.2493 7.2493 7.9312 7.9312 8.6024 8.6024 8.6128 8.6128 9.9614 9.9614 17.7196 17.7196 18.7059 18.7059 23.1157 23.1157 24.4574 24.4574 k =-0.3699 0.5341 0.0092 ( 994 PWs) bands (ev): -2.7229 -2.7229 -2.3715 -2.3715 4.2996 4.2996 7.2324 7.2324 7.9485 7.9485 8.4793 8.4793 8.7357 8.7357 9.9571 9.9571 17.7251 17.7251 18.7075 18.7075 23.1065 23.1065 24.4682 24.4682 k =-0.3699 0.5341 0.0184 ( 992 PWs) bands (ev): -2.7213 -2.7213 -2.3703 -2.3703 4.3031 4.3031 7.1862 7.1862 7.9962 7.9962 8.3513 8.3513 8.8632 8.8632 9.9440 9.9440 17.7414 17.7414 18.7124 18.7124 23.0799 23.0799 24.4998 24.4998 k =-0.3699 0.5341 0.0275 ( 992 PWs) bands (ev): -2.7186 -2.7186 -2.3684 -2.3684 4.3090 4.3090 7.1195 7.1195 8.0652 8.0652 8.2235 8.2235 8.9902 8.9902 9.9225 9.9225 17.7683 17.7683 18.7207 18.7207 23.0385 23.0385 24.5493 24.5493 k =-0.3699 0.5341 0.0367 ( 992 PWs) bands (ev): -2.7147 -2.7147 -2.3658 -2.3658 4.3171 4.3171 7.0402 7.0402 8.0957 8.0957 8.1480 8.1480 9.1163 9.1163 9.8929 9.8929 17.8056 17.8056 18.7321 18.7321 22.9856 22.9856 24.6137 24.6137 k =-0.3699 0.5341 0.0459 ( 994 PWs) bands (ev): -2.7098 -2.7098 -2.3624 -2.3624 4.3276 4.3276 6.9535 6.9535 7.9689 7.9689 8.2387 8.2387 9.2410 9.2410 9.8556 9.8556 17.8528 17.8528 18.7468 18.7468 22.9246 22.9246 24.6893 24.6893 k =-0.3699 0.5341 0.0551 ( 994 PWs) bands (ev): -2.7039 -2.7039 -2.3584 -2.3584 4.3404 4.3404 6.8626 6.8626 7.8426 7.8426 8.3348 8.3348 9.3636 9.3636 9.8116 9.8116 17.9094 17.9094 18.7646 18.7646 22.8585 22.8585 24.7731 24.7731 k =-0.3699 0.5341 0.0643 ( 992 PWs) bands (ev): -2.6969 -2.6969 -2.3536 -2.3536 4.3555 4.3555 6.7693 6.7693 7.7172 7.7172 8.4343 8.4343 9.4819 9.4819 9.7634 9.7634 17.9748 17.9748 18.7855 18.7855 22.7898 22.7898 24.8627 24.8627 k =-0.3699 0.5341 0.0734 ( 990 PWs) bands (ev): -2.6888 -2.6888 -2.3482 -2.3482 4.3730 4.3730 6.6749 6.6749 7.5928 7.5928 8.5359 8.5359 9.5826 9.5826 9.7244 9.7244 18.0482 18.0482 18.8095 18.8095 22.7206 22.7206 24.9559 24.9559 k =-0.3699 0.5341 0.0826 ( 988 PWs) bands (ev): -2.6798 -2.6798 -2.3421 -2.3421 4.3927 4.3927 6.5802 6.5802 7.4696 7.4696 8.6389 8.6389 9.5952 9.5952 9.7654 9.7654 18.1289 18.1289 18.8364 18.8364 22.6525 22.6525 25.0510 25.0510 k =-0.3699 0.5341 0.0918 ( 988 PWs) bands (ev): -2.6699 -2.6699 -2.3355 -2.3355 4.4148 4.4148 6.4858 6.4858 7.3477 7.3477 8.7427 8.7427 9.5368 9.5368 9.8695 9.8695 18.2159 18.2159 18.8661 18.8661 22.5870 22.5870 25.1464 25.1464 k =-0.3699 0.5341 0.1010 ( 990 PWs) bands (ev): -2.6590 -2.6590 -2.3283 -2.3283 4.4392 4.4392 6.3921 6.3921 7.2271 7.2271 8.8468 8.8468 9.4629 9.4629 9.9816 9.9816 18.3083 18.3083 18.8985 18.8985 22.5252 22.5252 25.2409 25.2409 k =-0.3699 0.5341 0.1102 ( 992 PWs) bands (ev): -2.6472 -2.6472 -2.3206 -2.3206 4.4659 4.4659 6.2994 6.2994 7.1081 7.1081 8.9510 8.9510 9.3817 9.3817 10.0937 10.0937 18.4053 18.4053 18.9336 18.9336 22.4684 22.4684 25.3333 25.3333 k =-0.3699 0.5341 0.1193 ( 990 PWs) bands (ev): -2.6345 -2.6345 -2.3125 -2.3125 4.4948 4.4948 6.2081 6.2081 6.9908 6.9908 9.0551 9.0551 9.2954 9.2954 10.2041 10.2041 18.5056 18.5056 18.9711 18.9711 22.4176 22.4176 25.4226 25.4226 k =-0.3699 0.5341 0.1285 ( 993 PWs) bands (ev): -2.6210 -2.6210 -2.3039 -2.3039 4.5261 4.5261 6.1184 6.1184 6.8753 6.8753 9.1583 9.1583 9.2050 9.2050 10.3119 10.3119 18.6083 18.6083 19.0110 19.0110 22.3736 22.3736 25.5060 25.5060 k =-0.3699 0.5341 0.1377 ( 993 PWs) bands (ev): -2.6068 -2.6068 -2.2950 -2.2950 4.5596 4.5596 6.0305 6.0305 6.7618 6.7618 9.1099 9.1099 9.2623 9.2623 10.4168 10.4168 18.7121 18.7121 19.0530 19.0530 22.3376 22.3376 25.4904 25.4904 k =-0.3699 0.5341 0.1469 ( 991 PWs) bands (ev): -2.5919 -2.5919 -2.2859 -2.2859 4.5954 4.5954 5.9446 5.9446 6.6504 6.6504 9.0124 9.0124 9.3647 9.3647 10.5185 10.5185 18.8160 18.8160 19.0970 19.0970 22.3104 22.3104 25.4682 25.4682 k =-0.3699 0.5341 0.1561 ( 991 PWs) bands (ev): -2.5763 -2.5763 -2.2765 -2.2765 4.6334 4.6334 5.8609 5.8609 6.5412 6.5412 8.9121 8.9121 9.4663 9.4663 10.6165 10.6165 18.9188 18.9188 19.1428 19.1428 22.2929 22.2929 25.4422 25.4422 k =-0.3699 0.5341 0.1652 ( 987 PWs) bands (ev): -2.5600 -2.5600 -2.2669 -2.2669 4.6736 4.6736 5.7796 5.7796 6.4344 6.4344 8.8095 8.8095 9.5671 9.5671 10.7108 10.7108 19.0192 19.0192 19.1902 19.1902 22.2859 22.2859 25.4120 25.4120 k =-0.3699 0.5341 0.1744 ( 993 PWs) bands (ev): -2.5433 -2.5433 -2.2572 -2.2572 4.7161 4.7161 5.7009 5.7009 6.3299 6.3299 8.7050 8.7050 9.6667 9.6667 10.8008 10.8008 19.1163 19.1163 19.2389 19.2389 22.2901 22.2901 25.3775 25.3775 k =-0.3699 0.5341 0.1836 ( 990 PWs) bands (ev): -2.5260 -2.5260 -2.2476 -2.2476 4.7606 4.7606 5.6250 5.6250 6.2282 6.2282 8.5990 8.5990 9.7651 9.7651 10.8866 10.8866 19.2090 19.2090 19.2887 19.2887 22.3062 22.3062 25.3388 25.3388 k =-0.3699 0.5341 0.1928 ( 988 PWs) bands (ev): -2.5084 -2.5084 -2.2380 -2.2380 4.8073 4.8073 5.5521 5.5521 6.1290 6.1290 8.4917 8.4917 9.8623 9.8623 10.9677 10.9677 19.2964 19.2964 19.3394 19.3394 22.3345 22.3345 25.2960 25.2960 k =-0.3699 0.5341 0.2020 ( 986 PWs) bands (ev): -2.4904 -2.4904 -2.2285 -2.2285 4.8560 4.8560 5.4823 5.4823 6.0328 6.0328 8.3835 8.3835 9.9580 9.9580 11.0439 11.0439 19.3775 19.3775 19.3912 19.3912 22.3750 22.3750 25.2492 25.2492 k =-0.3699 0.5341 0.2111 ( 988 PWs) bands (ev): -2.4721 -2.4721 -2.2192 -2.2192 4.9064 4.9064 5.4162 5.4162 5.9394 5.9394 8.2745 8.2745 10.0522 10.0522 11.1150 11.1150 19.4407 19.4407 19.4547 19.4547 22.4276 22.4276 25.1988 25.1988 k =-0.3699 0.5341 0.2203 ( 988 PWs) bands (ev): -2.4537 -2.4537 -2.2103 -2.2103 4.9583 4.9583 5.3541 5.3541 5.8492 5.8492 8.1651 8.1651 10.1448 10.1448 11.1809 11.1809 19.4926 19.4926 19.5231 19.5231 22.4919 22.4919 25.1453 25.1453 k =-0.3699 0.5341 0.2295 ( 990 PWs) bands (ev): -2.4351 -2.4351 -2.2017 -2.2017 5.0106 5.0106 5.2971 5.2971 5.7621 5.7621 8.0554 8.0554 10.2356 10.2356 11.2414 11.2414 19.5437 19.5437 19.5856 19.5856 22.5669 22.5669 25.0890 25.0890 k =-0.3699 0.5341 0.2387 ( 990 PWs) bands (ev): -2.4165 -2.4165 -2.1936 -2.1936 5.0604 5.0604 5.2485 5.2485 5.6784 5.6784 7.9458 7.9458 10.3245 10.3245 11.2962 11.2962 19.5940 19.5940 19.6421 19.6421 22.6515 22.6515 25.0306 25.0306 k =-0.3699 0.5341 0.2479 ( 990 PWs) bands (ev): -2.3979 -2.3979 -2.1860 -2.1860 5.0956 5.0956 5.2203 5.2203 5.5980 5.5980 7.8363 7.8363 10.4115 10.4115 11.3453 11.3453 19.6433 19.6433 19.6930 19.6930 22.7445 22.7445 24.9707 24.9707 k =-0.3699 0.5341 0.2570 ( 994 PWs) bands (ev): -2.3795 -2.3795 -2.1790 -2.1790 5.0909 5.0909 5.2379 5.2379 5.5213 5.5213 7.7271 7.7271 10.4963 10.4963 11.3885 11.3885 19.6910 19.6910 19.7388 19.7388 22.8441 22.8441 24.9097 24.9097 k =-0.3699 0.5341 0.2662 ( 998 PWs) bands (ev): -2.3613 -2.3613 -2.1727 -2.1727 5.0594 5.0594 5.2883 5.2883 5.4481 5.4481 7.6185 7.6185 10.5790 10.5790 11.4258 11.4258 19.7370 19.7370 19.7801 19.7801 22.9487 22.9487 24.8483 24.8483 k =-0.3699 0.5341 0.2754 ( 998 PWs) bands (ev): -2.3434 -2.3434 -2.1672 -2.1672 5.0232 5.0232 5.3497 5.3497 5.3788 5.3788 7.5105 7.5105 10.6593 10.6593 11.4572 11.4572 19.7808 19.7808 19.8175 19.8175 23.0565 23.0565 24.7869 24.7869 k =-0.3699 0.5341 0.2846 ( 998 PWs) bands (ev): -2.3258 -2.3258 -2.1625 -2.1625 4.9883 4.9883 5.3132 5.3132 5.4161 5.4161 7.4032 7.4032 10.7371 10.7371 11.4825 11.4825 19.8221 19.8221 19.8515 19.8515 23.1657 23.1657 24.7260 24.7260 k =-0.3699 0.5341 0.2938 ( 998 PWs) bands (ev): -2.3087 -2.3087 -2.1588 -2.1588 4.9565 4.9565 5.2517 5.2517 5.4857 5.4857 7.2969 7.2969 10.8123 10.8123 11.5019 11.5019 19.8605 19.8605 19.8825 19.8825 23.2746 23.2746 24.6660 24.6660 k =-0.3699 0.5341 0.3029 ( 997 PWs) bands (ev): -2.2922 -2.2922 -2.1559 -2.1559 4.9284 4.9284 5.1943 5.1943 5.5579 5.5579 7.1916 7.1916 10.8847 10.8847 11.5153 11.5153 19.8956 19.8956 19.9110 19.9110 23.3816 23.3816 24.6070 24.6070 k =-0.3699 0.5341 0.3121 ( 995 PWs) bands (ev): -2.2763 -2.2763 -2.1541 -2.1541 4.9044 4.9044 5.1410 5.1410 5.6326 5.6326 7.0874 7.0874 10.9543 10.9543 11.5229 11.5229 19.9268 19.9268 19.9375 19.9375 23.4851 23.4851 24.5494 24.5494 k =-0.3699 0.5341 0.3213 ( 995 PWs) bands (ev): -2.2611 -2.2611 -2.1534 -2.1534 4.8847 4.8847 5.0921 5.0921 5.7095 5.7095 6.9844 6.9844 11.0207 11.0207 11.5245 11.5245 19.9536 19.9536 19.9624 19.9624 23.5840 23.5840 24.4931 24.4931 k =-0.3699 0.5341 0.3305 ( 995 PWs) bands (ev): -2.2467 -2.2467 -2.1537 -2.1537 4.8694 4.8694 5.0474 5.0474 5.7885 5.7885 6.8827 6.8827 11.0838 11.0838 11.5205 11.5205 19.9760 19.9760 19.9854 19.9854 23.6773 23.6773 24.4381 24.4381 k =-0.3699 0.5341 0.3397 ( 995 PWs) bands (ev): -2.2332 -2.2332 -2.1552 -2.1552 4.8587 4.8587 5.0072 5.0072 5.8695 5.8695 6.7824 6.7824 11.1435 11.1435 11.5109 11.5109 19.9948 19.9948 20.0054 20.0054 23.7645 23.7645 24.3841 24.3841 k =-0.3699 0.5341 0.3488 ( 995 PWs) bands (ev): -2.2206 -2.2206 -2.1578 -2.1578 4.8525 4.8525 4.9715 4.9715 5.9526 5.9526 6.6836 6.6836 11.1996 11.1996 11.4958 11.4958 20.0107 20.0107 20.0218 20.0218 23.8453 23.8453 24.3309 24.3309 k =-0.3699 0.5341 0.3580 ( 997 PWs) bands (ev): -2.2089 -2.2089 -2.1616 -2.1616 4.8510 4.8510 4.9403 4.9403 6.0377 6.0377 6.5863 6.5863 11.2519 11.2519 11.4753 11.4753 20.0234 20.0234 20.0343 20.0343 23.9200 23.9200 24.2779 24.2779 k =-0.3699 0.5341 0.3672 ( 992 PWs) bands (ev): -2.1983 -2.1983 -2.1665 -2.1665 4.8541 4.8541 4.9137 4.9137 6.1246 6.1246 6.4906 6.4906 11.3003 11.3003 11.4499 11.4499 20.0329 20.0329 20.0431 20.0431 23.9890 23.9890 24.2245 24.2245 k =-0.3699 0.5341 0.3764 ( 994 PWs) bands (ev): -2.1889 -2.1889 -2.1725 -2.1725 4.8619 4.8619 4.8918 4.8918 6.2134 6.2134 6.3965 6.3965 11.3444 11.3444 11.4194 11.4194 20.0389 20.0389 20.0481 20.0481 24.0530 24.0530 24.1698 24.1698 k =-0.3699 0.5341 0.3856 ( 996 PWs) bands (ev): -2.1823 -2.1823 -2.1779 -2.1779 4.8733 4.8733 4.8758 4.8758 6.3009 6.3009 6.3072 6.3072 11.3822 11.3822 11.3862 11.3862 20.0409 20.0409 20.0498 20.0498 24.1118 24.1118 24.1141 24.1141 k =-0.3699 0.5341 0.3856 ( 996 PWs) bands (ev): -2.1823 -2.1823 -2.1779 -2.1779 4.8733 4.8733 4.8758 4.8758 6.3009 6.3009 6.3072 6.3072 11.3822 11.3822 11.3862 11.3862 20.0409 20.0409 20.0498 20.0498 24.1118 24.1118 24.1141 24.1141 k =-0.3751 0.5266 0.3856 ( 996 PWs) bands (ev): -2.1752 -2.1752 -2.1709 -2.1709 4.8893 4.8893 4.8917 4.8917 6.3085 6.3085 6.3148 6.3148 11.3239 11.3239 11.3277 11.3277 19.9831 19.9831 19.9918 19.9918 24.1765 24.1765 24.1786 24.1786 k =-0.3803 0.5191 0.3856 ( 996 PWs) bands (ev): -2.1691 -2.1691 -2.1649 -2.1649 4.9022 4.9022 4.9044 4.9044 6.3244 6.3244 6.3308 6.3308 11.2624 11.2624 11.2660 11.2660 19.9251 19.9251 19.9337 19.9337 24.2433 24.2433 24.2452 24.2452 k =-0.3855 0.5116 0.3856 ( 996 PWs) bands (ev): -2.1642 -2.1642 -2.1600 -2.1600 4.9116 4.9116 4.9138 4.9138 6.3487 6.3487 6.3551 6.3551 11.1978 11.1978 11.2012 11.2012 19.8673 19.8673 19.8757 19.8757 24.3117 24.3117 24.3135 24.3135 k =-0.3907 0.5041 0.3856 ( 996 PWs) bands (ev): -2.1601 -2.1601 -2.1561 -2.1561 4.9176 4.9176 4.9197 4.9197 6.3813 6.3813 6.3877 6.3877 11.1302 11.1302 11.1334 11.1334 19.8101 19.8101 19.8182 19.8182 24.3814 24.3814 24.3830 24.3830 k =-0.3959 0.4966 0.3856 ( 996 PWs) bands (ev): -2.1569 -2.1569 -2.1530 -2.1530 4.9203 4.9203 4.9222 4.9222 6.4217 6.4217 6.4281 6.4281 11.0598 11.0598 11.0627 11.0627 19.7537 19.7537 19.7616 19.7616 24.4519 24.4519 24.4534 24.4534 k =-0.4011 0.4890 0.3856 ( 996 PWs) bands (ev): -2.1545 -2.1545 -2.1508 -2.1508 4.9198 4.9198 4.9216 4.9216 6.4696 6.4696 6.4759 6.4759 10.9867 10.9867 10.9894 10.9894 19.6986 19.6986 19.7062 19.7062 24.5229 24.5229 24.5241 24.5241 k =-0.4063 0.4815 0.3856 ( 996 PWs) bands (ev): -2.1528 -2.1528 -2.1492 -2.1492 4.9166 4.9166 4.9183 4.9183 6.5242 6.5242 6.5305 6.5305 10.9111 10.9111 10.9135 10.9135 19.6449 19.6449 19.6522 19.6522 24.5938 24.5938 24.5948 24.5948 k =-0.4115 0.4740 0.3856 ( 996 PWs) bands (ev): -2.1517 -2.1517 -2.1482 -2.1482 4.9111 4.9111 4.9127 4.9127 6.5848 6.5848 6.5910 6.5910 10.8334 10.8334 10.8355 10.8355 19.5929 19.5929 19.5999 19.5999 24.6642 24.6642 24.6648 24.6648 k =-0.4167 0.4665 0.3856 ( 996 PWs) bands (ev): -2.1511 -2.1511 -2.1478 -2.1478 4.9037 4.9037 4.9052 4.9052 6.6507 6.6507 6.6568 6.6568 10.7536 10.7536 10.7555 10.7555 19.5429 19.5429 19.5496 19.5496 24.7334 24.7334 24.7338 24.7338 k =-0.4219 0.4590 0.3856 ( 996 PWs) bands (ev): -2.1509 -2.1509 -2.1478 -2.1478 4.8949 4.8949 4.8963 4.8963 6.7211 6.7211 6.7269 6.7269 10.6723 10.6723 10.6740 10.6740 19.4951 19.4951 19.5014 19.5014 24.8009 24.8009 24.8010 24.8010 k =-0.4271 0.4515 0.3856 ( 996 PWs) bands (ev): -2.1511 -2.1511 -2.1482 -2.1482 4.8851 4.8851 4.8864 4.8864 6.7950 6.7950 6.8007 6.8007 10.5898 10.5898 10.5911 10.5911 19.4496 19.4496 19.4556 19.4556 24.8658 24.8658 24.8661 24.8661 k =-0.4323 0.4439 0.3856 ( 1000 PWs) bands (ev): -2.1517 -2.1517 -2.1489 -2.1489 4.8746 4.8746 4.8758 4.8758 6.8717 6.8717 6.8772 6.8772 10.5064 10.5064 10.5076 10.5076 19.4067 19.4067 19.4123 19.4123 24.9276 24.9276 24.9282 24.9282 k =-0.4375 0.4364 0.3856 ( 1000 PWs) bands (ev): -2.1524 -2.1524 -2.1498 -2.1498 4.8638 4.8638 4.8649 4.8649 6.9504 6.9504 6.9557 6.9557 10.4228 10.4228 10.4237 10.4237 19.3664 19.3664 19.3716 19.3716 24.9856 24.9856 24.9866 24.9866 k =-0.4427 0.4289 0.3856 ( 1004 PWs) bands (ev): -2.1533 -2.1533 -2.1509 -2.1509 4.8530 4.8530 4.8540 4.8540 7.0300 7.0300 7.0350 7.0350 10.3395 10.3395 10.3401 10.3401 19.3289 19.3289 19.3337 19.3337 25.0393 25.0393 25.0405 25.0405 k =-0.4480 0.4214 0.3856 ( 1012 PWs) bands (ev): -2.1543 -2.1543 -2.1522 -2.1522 4.8424 4.8424 4.8434 4.8434 7.1096 7.1096 7.1144 7.1144 10.2571 10.2571 10.2575 10.2575 19.2943 19.2943 19.2988 19.2988 25.0879 25.0879 25.0895 25.0895 k =-0.4532 0.4139 0.3856 ( 1012 PWs) bands (ev): -2.1554 -2.1554 -2.1535 -2.1535 4.8323 4.8323 4.8332 4.8332 7.1883 7.1883 7.1928 7.1928 10.1766 10.1766 10.1769 10.1769 19.2628 19.2628 19.2669 19.2669 25.1312 25.1312 25.1329 25.1329 k =-0.4584 0.4064 0.3856 ( 1008 PWs) bands (ev): -2.1565 -2.1565 -2.1547 -2.1547 4.8228 4.8228 4.8236 4.8236 7.2648 7.2648 7.2690 7.2690 10.0989 10.0989 10.0990 10.0990 19.2346 19.2346 19.2382 19.2382 25.1687 25.1687 25.1706 25.1706 k =-0.4636 0.3988 0.3856 ( 1008 PWs) bands (ev): -2.1576 -2.1576 -2.1560 -2.1560 4.8141 4.8141 4.8148 4.8148 7.3380 7.3380 7.3418 7.3418 10.0250 10.0250 10.0250 10.0250 19.2094 19.2094 19.2126 19.2126 25.2005 25.2005 25.2023 25.2023 k =-0.4688 0.3913 0.3856 ( 1008 PWs) bands (ev): -2.1585 -2.1585 -2.1572 -2.1572 4.8064 4.8064 4.8070 4.8070 7.4065 7.4065 7.4098 7.4098 9.9561 9.9561 9.9563 9.9563 19.1875 19.1875 19.1902 19.1902 25.2266 25.2266 25.2284 25.2284 k =-0.4740 0.3838 0.3856 ( 1008 PWs) bands (ev): -2.1594 -2.1594 -2.1583 -2.1583 4.7997 4.7997 4.8002 4.8002 7.4686 7.4686 7.4715 7.4715 9.8938 9.8938 9.8940 9.8940 19.1689 19.1689 19.1712 19.1712 25.2476 25.2476 25.2492 25.2492 k =-0.4792 0.3763 0.3856 ( 1008 PWs) bands (ev): -2.1601 -2.1601 -2.1592 -2.1592 4.7941 4.7941 4.7945 4.7945 7.5228 7.5228 7.5252 7.5252 9.8397 9.8397 9.8399 9.8399 19.1537 19.1537 19.1556 19.1556 25.2637 25.2637 25.2651 25.2651 k =-0.4844 0.3688 0.3856 ( 1004 PWs) bands (ev): -2.1607 -2.1607 -2.1600 -2.1600 4.7897 4.7897 4.7900 4.7900 7.5674 7.5674 7.5693 7.5693 9.7953 9.7953 9.7955 9.7955 19.1419 19.1419 19.1433 19.1433 25.2757 25.2757 25.2767 25.2767 k =-0.4896 0.3613 0.3856 ( 1004 PWs) bands (ev): -2.1611 -2.1611 -2.1606 -2.1606 4.7866 4.7866 4.7868 4.7868 7.6008 7.6008 7.6020 7.6020 9.7623 9.7623 9.7624 9.7624 19.1336 19.1336 19.1345 19.1345 25.2839 25.2839 25.2846 25.2846 k =-0.4948 0.3538 0.3856 ( 1008 PWs) bands (ev): -2.1612 -2.1612 -2.1610 -2.1610 4.7847 4.7847 4.7848 4.7848 7.6215 7.6215 7.6221 7.6221 9.7418 9.7418 9.7419 9.7419 19.1286 19.1286 19.1290 19.1290 25.2887 25.2887 25.2891 25.2891 k =-0.5000 0.3462 0.3856 ( 1008 PWs) bands (ev): -2.1612 -2.1612 -2.1612 -2.1612 4.7841 4.7841 4.7841 4.7841 7.6287 7.6287 7.6287 7.6287 9.7350 9.7350 9.7350 9.7350 19.1271 19.1271 19.1271 19.1271 25.2904 25.2904 25.2904 25.2904 k =-0.5000 0.3462 0.3856 ( 1008 PWs) bands (ev): -2.1612 -2.1612 -2.1612 -2.1612 4.7841 4.7841 4.7841 4.7841 7.6287 7.6287 7.6287 7.6287 9.7350 9.7350 9.7350 9.7350 19.1271 19.1271 19.1271 19.1271 25.2904 25.2904 25.2904 25.2904 k =-0.5000 0.3462 0.3764 ( 1004 PWs) bands (ev): -2.1946 -2.1946 -2.1285 -2.1285 4.7322 4.7322 4.8396 4.8396 7.5500 7.5500 7.7089 7.7089 9.6564 9.6564 9.8130 9.8130 19.1122 19.1122 19.1350 19.1350 25.2657 25.2657 25.3201 25.3201 k =-0.5000 0.3462 0.3672 ( 1008 PWs) bands (ev): -2.2285 -2.2285 -2.0966 -2.0966 4.6840 4.6840 4.8988 4.8988 7.4726 7.4726 7.7903 7.7903 9.5772 9.5772 9.8901 9.8901 19.0905 19.0905 19.1354 19.1354 25.2466 25.2466 25.3539 25.3539 k =-0.5000 0.3462 0.3580 ( 1008 PWs) bands (ev): -2.2630 -2.2630 -2.0654 -2.0654 4.6396 4.6396 4.9616 4.9616 7.3968 7.3968 7.8729 7.8729 9.4979 9.4979 9.9661 9.9661 19.0626 19.0626 19.1284 19.1284 25.2336 25.2336 25.3905 25.3905 k =-0.5000 0.3462 0.3488 ( 1008 PWs) bands (ev): -2.2978 -2.2978 -2.0351 -2.0351 4.5990 4.5990 5.0279 5.0279 7.3224 7.3224 7.9567 7.9567 9.4184 9.4184 10.0409 10.0409 19.0290 19.0290 19.1139 19.1139 25.2270 25.2270 25.4269 25.4269 k =-0.5000 0.3462 0.3397 ( 1008 PWs) bands (ev): -2.3329 -2.3329 -2.0058 -2.0058 4.5623 4.5623 5.0976 5.0976 7.2496 7.2496 8.0416 8.0416 9.3389 9.3389 10.1141 10.1141 18.9903 18.9903 19.0921 19.0921 25.2268 25.2268 25.2658 25.2658 k =-0.5000 0.3462 0.3305 ( 1010 PWs) bands (ev): -2.3682 -2.3682 -1.9776 -1.9776 4.5294 4.5294 5.1707 5.1707 7.1783 7.1783 8.1275 8.1275 9.2595 9.2595 10.1855 10.1855 18.9472 18.9472 19.0629 19.0629 25.0897 25.0897 25.2332 25.2332 k =-0.5000 0.3462 0.3213 ( 1006 PWs) bands (ev): -2.4036 -2.4036 -1.9504 -1.9504 4.5003 4.5003 5.2471 5.2471 7.1087 7.1087 8.2144 8.2144 9.1805 9.1805 10.2548 10.2548 18.9005 18.9005 19.0269 19.0269 24.9119 24.9119 25.2456 25.2456 k =-0.5000 0.3462 0.3121 ( 1006 PWs) bands (ev): -2.4391 -2.4391 -1.9243 -1.9243 4.4750 4.4750 5.3266 5.3266 7.0408 7.0408 8.3021 8.3021 9.1018 9.1018 10.3217 10.3217 18.8508 18.8508 18.9843 18.9843 24.7325 24.7325 25.2640 25.2640 k =-0.5000 0.3462 0.3029 ( 1008 PWs) bands (ev): -2.4745 -2.4745 -1.8995 -1.8995 4.4535 4.4535 5.4093 5.4093 6.9745 6.9745 8.3906 8.3906 9.0235 9.0235 10.3858 10.3858 18.7989 18.7989 18.9356 18.9356 24.5522 24.5522 25.2878 25.2878 k =-0.5000 0.3462 0.2938 ( 1008 PWs) bands (ev): -2.5098 -2.5098 -1.8758 -1.8758 4.4358 4.4358 5.4951 5.4951 6.9100 6.9100 8.4797 8.4797 8.9459 8.9459 10.4469 10.4469 18.7458 18.7458 18.8812 18.8812 24.3711 24.3711 25.3168 25.3168 k =-0.5000 0.3462 0.2846 ( 1008 PWs) bands (ev): -2.5449 -2.5449 -1.8535 -1.8535 4.4218 4.4218 5.5837 5.5837 6.8473 6.8473 8.5694 8.5694 8.8689 8.8689 10.5045 10.5045 18.6922 18.6922 18.8219 18.8219 24.1898 24.1898 25.3503 25.3503 k =-0.5000 0.3462 0.2754 ( 1008 PWs) bands (ev): -2.5796 -2.5796 -1.8323 -1.8323 4.4115 4.4115 5.6752 5.6752 6.7863 6.7863 8.6595 8.6595 8.7927 8.7927 10.5584 10.5584 18.6389 18.6389 18.7580 18.7580 24.0086 24.0086 25.3878 25.3878 k =-0.5000 0.3462 0.2662 ( 1004 PWs) bands (ev): -2.6140 -2.6140 -1.8125 -1.8125 4.4047 4.4047 5.7695 5.7695 6.7272 6.7272 8.7173 8.7173 8.7500 8.7500 10.6080 10.6080 18.5867 18.5867 18.6902 18.6902 23.8280 23.8280 25.3699 25.3699 k =-0.5000 0.3462 0.2570 ( 1004 PWs) bands (ev): -2.6479 -2.6479 -1.7940 -1.7940 4.4013 4.4013 5.8664 5.8664 6.6698 6.6698 8.6428 8.6428 8.8405 8.8405 10.6530 10.6530 18.5364 18.5364 18.6192 18.6192 23.6483 23.6483 25.2665 25.2665 k =-0.5000 0.3462 0.2479 ( 1004 PWs) bands (ev): -2.6812 -2.6812 -1.7767 -1.7767 4.4014 4.4014 5.9658 5.9658 6.6143 6.6143 8.5693 8.5693 8.9311 8.9311 10.6930 10.6930 18.4888 18.4888 18.5453 18.5453 23.4698 23.4698 25.1433 25.1433 k =-0.5000 0.3462 0.2387 ( 1008 PWs) bands (ev): -2.7140 -2.7140 -1.7607 -1.7607 4.4046 4.4046 6.0677 6.0677 6.5607 6.5607 8.4968 8.4968 9.0216 9.0216 10.7276 10.7276 18.4445 18.4445 18.4694 18.4694 23.2930 23.2930 25.0038 25.0038 k =-0.5000 0.3462 0.2295 ( 1010 PWs) bands (ev): -2.7460 -2.7460 -1.7459 -1.7459 4.4110 4.4110 6.1719 6.1719 6.5089 6.5089 8.4254 8.4254 9.1117 9.1117 10.7565 10.7565 18.3915 18.3915 18.4047 18.4047 23.1183 23.1183 24.8514 24.8514 k =-0.5000 0.3462 0.2203 ( 1010 PWs) bands (ev): -2.7774 -2.7774 -1.7323 -1.7323 4.4203 4.4203 6.2784 6.2784 6.4591 6.4591 8.3553 8.3553 9.2014 9.2014 10.7793 10.7793 18.3130 18.3130 18.3693 18.3693 22.9460 22.9460 24.6889 24.6889 k =-0.5000 0.3462 0.2111 ( 1010 PWs) bands (ev): -2.8079 -2.8079 -1.7200 -1.7200 4.4323 4.4323 6.3869 6.3869 6.4113 6.4113 8.2864 8.2864 9.2905 9.2905 10.7956 10.7956 18.2338 18.2338 18.3393 18.3393 22.7765 22.7765 24.5190 24.5190 k =-0.5000 0.3462 0.2020 ( 1006 PWs) bands (ev): -2.8375 -2.8375 -1.7087 -1.7087 4.4469 4.4469 6.3653 6.3653 6.4974 6.4974 8.2189 8.2189 9.3787 9.3787 10.8053 10.8053 18.1546 18.1546 18.3153 18.3153 22.6101 22.6101 24.3437 24.3437 k =-0.5000 0.3462 0.1928 ( 1006 PWs) bands (ev): -2.8662 -2.8662 -1.6986 -1.6986 4.4640 4.4640 6.3213 6.3213 6.6098 6.6098 8.1528 8.1528 9.4658 9.4658 10.8078 10.8078 18.0757 18.0757 18.2976 18.2976 22.4473 22.4473 24.1647 24.1647 k =-0.5000 0.3462 0.1836 ( 1006 PWs) bands (ev): -2.8939 -2.8939 -1.6894 -1.6894 4.4831 4.4831 6.2793 6.2793 6.7239 6.7239 8.0881 8.0881 9.5517 9.5517 10.8032 10.8032 17.9977 17.9977 18.2866 18.2866 22.2885 22.2885 23.9833 23.9833 k =-0.5000 0.3462 0.1744 ( 998 PWs) bands (ev): -2.9206 -2.9206 -1.6813 -1.6813 4.5042 4.5042 6.2392 6.2392 6.8397 6.8397 8.0251 8.0251 9.6362 9.6362 10.7914 10.7914 17.9209 17.9209 18.2827 18.2827 22.1340 22.1340 23.8007 23.8007 k =-0.5000 0.3462 0.1652 ( 998 PWs) bands (ev): -2.9462 -2.9462 -1.6740 -1.6740 4.5270 4.5270 6.2012 6.2012 6.9568 6.9568 7.9638 7.9638 9.7187 9.7187 10.7721 10.7721 17.8458 17.8458 18.2859 18.2859 21.9841 21.9841 23.6178 23.6178 k =-0.5000 0.3462 0.1561 ( 998 PWs) bands (ev): -2.9706 -2.9706 -1.6677 -1.6677 4.5512 4.5512 6.1651 6.1651 7.0752 7.0752 7.9042 7.9042 9.7992 9.7992 10.7455 10.7455 17.7727 17.7727 18.2964 18.2964 21.8393 21.8393 23.4354 23.4354 k =-0.5000 0.3462 0.1469 ( 998 PWs) bands (ev): -2.9939 -2.9939 -1.6621 -1.6621 4.5766 4.5766 6.1311 6.1311 7.1947 7.1947 7.8466 7.8466 9.8774 9.8774 10.7116 10.7116 17.7020 17.7020 18.3142 18.3142 21.6999 21.6999 23.2543 23.2543 k =-0.5000 0.3462 0.1377 ( 998 PWs) bands (ev): -3.0160 -3.0160 -1.6572 -1.6572 4.6028 4.6028 6.0991 6.0991 7.3151 7.3151 7.7911 7.7911 9.9530 9.9530 10.6706 10.6706 17.6339 17.6339 18.3391 18.3391 21.5664 21.5664 23.0752 23.0752 k =-0.5000 0.3462 0.1285 ( 998 PWs) bands (ev): -3.0368 -3.0368 -1.6530 -1.6530 4.6296 4.6296 6.0691 6.0691 7.4363 7.4363 7.7378 7.7378 10.0257 10.0257 10.6227 10.6227 17.5689 17.5689 18.3709 18.3709 21.4390 21.4390 22.8987 22.8987 k =-0.5000 0.3462 0.1193 ( 998 PWs) bands (ev): -3.0564 -3.0564 -1.6494 -1.6494 4.6566 4.6566 6.0412 6.0412 7.5578 7.5578 7.6869 7.6869 10.0952 10.0952 10.5683 10.5683 17.5071 17.5071 18.4091 18.4091 21.3183 21.3183 22.7256 22.7256 k =-0.5000 0.3462 0.1102 ( 998 PWs) bands (ev): -3.0746 -3.0746 -1.6463 -1.6463 4.6836 4.6836 6.0153 6.0153 7.6375 7.6375 7.6805 7.6805 10.1612 10.1612 10.5077 10.5077 17.4488 17.4488 18.4533 18.4533 21.2046 21.2046 22.5565 22.5565 k =-0.5000 0.3462 0.1010 ( 1000 PWs) bands (ev): -3.0914 -3.0914 -1.6438 -1.6438 4.7102 4.7102 5.9914 5.9914 7.5923 7.5923 7.8017 7.8017 10.2233 10.2233 10.4413 10.4413 17.3943 17.3943 18.5027 18.5027 21.0983 21.0983 22.3923 22.3923 k =-0.5000 0.3462 0.0918 ( 1004 PWs) bands (ev): -3.1069 -3.1069 -1.6416 -1.6416 4.7361 4.7361 5.9696 5.9696 7.5495 7.5495 7.9228 7.9228 10.2809 10.2809 10.3701 10.3701 17.3438 17.3438 18.5567 18.5567 20.9996 20.9996 22.2338 22.2338 k =-0.5000 0.3462 0.0826 ( 1006 PWs) bands (ev): -3.1210 -3.1210 -1.6398 -1.6398 4.7608 4.7608 5.9499 5.9499 7.5098 7.5098 8.0430 8.0430 10.2917 10.2917 10.3370 10.3370 17.2975 17.2975 18.6140 18.6140 20.9091 20.9091 22.0821 22.0821 k =-0.5000 0.3462 0.0734 ( 1006 PWs) bands (ev): -3.1337 -3.1337 -1.6384 -1.6384 4.7842 4.7842 5.9322 5.9322 7.4734 7.4734 8.1617 8.1617 10.2129 10.2129 10.3848 10.3848 17.2556 17.2556 18.6736 18.6736 20.8271 20.8271 21.9383 21.9383 k =-0.5000 0.3462 0.0643 ( 1000 PWs) bands (ev): -3.1449 -3.1449 -1.6372 -1.6372 4.8058 4.8058 5.9166 5.9166 7.4407 7.4407 8.2780 8.2780 10.1306 10.1306 10.4287 10.4287 17.2182 17.2182 18.7341 18.7341 20.7539 20.7539 21.8039 21.8039 k =-0.5000 0.3462 0.0551 ( 1000 PWs) bands (ev): -3.1546 -3.1546 -1.6363 -1.6363 4.8253 4.8253 5.9031 5.9031 7.4117 7.4117 8.3908 8.3908 10.0466 10.0466 10.4674 10.4674 17.1855 17.1855 18.7936 18.7936 20.6897 20.6897 21.6804 21.6804 k =-0.5000 0.3462 0.0459 ( 996 PWs) bands (ev): -3.1629 -3.1629 -1.6355 -1.6355 4.8424 4.8424 5.8916 5.8916 7.3868 7.3868 8.4987 8.4987 9.9630 9.9630 10.5006 10.5006 17.1576 17.1576 18.8501 18.8501 20.6349 20.6349 21.5699 21.5699 k =-0.5000 0.3462 0.0367 ( 996 PWs) bands (ev): -3.1697 -3.1697 -1.6350 -1.6350 4.8568 4.8568 5.8822 5.8822 7.3660 7.3660 8.5990 8.5990 9.8821 9.8821 10.5281 10.5281 17.1347 17.1347 18.9014 18.9014 20.5897 20.5897 21.4746 21.4746 k =-0.5000 0.3462 0.0275 ( 1000 PWs) bands (ev): -3.1750 -3.1750 -1.6346 -1.6346 4.8683 4.8683 5.8748 5.8748 7.3497 7.3497 8.6883 8.6883 9.8078 9.8078 10.5496 10.5496 17.1167 17.1167 18.9450 18.9450 20.5543 20.5543 21.3969 21.3969 k =-0.5000 0.3462 0.0184 ( 1000 PWs) bands (ev): -3.1788 -3.1788 -1.6343 -1.6343 4.8767 4.8767 5.8696 5.8696 7.3379 7.3379 8.7610 8.7610 9.7458 9.7458 10.5651 10.5651 17.1038 17.1038 18.9784 18.9784 20.5289 20.5289 21.3391 21.3391 k =-0.5000 0.3462 0.0092 ( 996 PWs) bands (ev): -3.1811 -3.1811 -1.6341 -1.6341 4.8817 4.8817 5.8665 5.8665 7.3309 7.3309 8.8098 8.8098 9.7033 9.7033 10.5745 10.5745 17.0961 17.0961 18.9995 18.9995 20.5136 20.5136 21.3034 21.3034 k =-0.5000 0.3462 0.0000 ( 992 PWs) bands (ev): -3.1818 -3.1818 -1.6341 -1.6341 4.8835 4.8835 5.8654 5.8654 7.3285 7.3285 8.8273 8.8273 9.6880 9.6880 10.5776 10.5776 17.0935 17.0935 19.0067 19.0067 20.5085 20.5085 21.2913 21.2913 k = 0.0000 0.0000 0.3856 ( 976 PWs) bands (ev): -4.3306 -4.3306 -4.3306 -4.3306 8.6444 8.6444 8.6444 8.6444 9.2731 9.2731 9.2731 9.2731 10.6013 10.6013 10.6013 10.6013 20.0445 20.0445 20.0445 20.0445 21.3562 21.3562 21.3562 21.3562 k =-0.0076 0.0052 0.3856 ( 976 PWs) bands (ev): -4.3297 -4.3297 -4.3297 -4.3297 8.6418 8.6418 8.6418 8.6418 9.2719 9.2719 9.2719 9.2719 10.6017 10.6017 10.6017 10.6017 20.0435 20.0435 20.0435 20.0435 21.3594 21.3594 21.3594 21.3594 k =-0.0152 0.0105 0.3856 ( 976 PWs) bands (ev): -4.3269 -4.3269 -4.3269 -4.3269 8.6342 8.6342 8.6342 8.6342 9.2683 9.2683 9.2683 9.2683 10.6026 10.6026 10.6026 10.6026 20.0404 20.0404 20.0404 20.0404 21.3691 21.3691 21.3691 21.3691 k =-0.0227 0.0157 0.3856 ( 976 PWs) bands (ev): -4.3224 -4.3224 -4.3224 -4.3224 8.6215 8.6215 8.6215 8.6215 9.2623 9.2623 9.2623 9.2623 10.6042 10.6042 10.6042 10.6042 20.0351 20.0351 20.0352 20.0352 21.3851 21.3851 21.3851 21.3851 k =-0.0303 0.0210 0.3856 ( 976 PWs) bands (ev): -4.3159 -4.3159 -4.3159 -4.3159 8.6038 8.6038 8.6038 8.6038 9.2539 9.2539 9.2539 9.2539 10.6063 10.6063 10.6063 10.6063 20.0278 20.0278 20.0278 20.0278 21.4074 21.4074 21.4074 21.4074 k =-0.0379 0.0262 0.3856 ( 984 PWs) bands (ev): -4.3077 -4.3077 -4.3077 -4.3077 8.5813 8.5813 8.5813 8.5813 9.2431 9.2431 9.2431 9.2431 10.6088 10.6088 10.6088 10.6088 20.0183 20.0183 20.0183 20.0183 21.4360 21.4360 21.4360 21.4360 k =-0.0455 0.0315 0.3856 ( 984 PWs) bands (ev): -4.2977 -4.2977 -4.2977 -4.2977 8.5541 8.5541 8.5541 8.5541 9.2301 9.2301 9.2301 9.2301 10.6117 10.6117 10.6117 10.6117 20.0065 20.0065 20.0065 20.0065 21.4708 21.4708 21.4708 21.4708 k =-0.0530 0.0367 0.3856 ( 984 PWs) bands (ev): -4.2858 -4.2858 -4.2858 -4.2858 8.5224 8.5224 8.5224 8.5224 9.2148 9.2148 9.2148 9.2148 10.6147 10.6147 10.6147 10.6147 19.9924 19.9924 19.9924 19.9924 21.5118 21.5118 21.5118 21.5118 k =-0.0606 0.0420 0.3856 ( 984 PWs) bands (ev): -4.2722 -4.2722 -4.2722 -4.2722 8.4863 8.4863 8.4863 8.4863 9.1975 9.1975 9.1975 9.1975 10.6178 10.6178 10.6178 10.6178 19.9760 19.9760 19.9760 19.9760 21.5588 21.5588 21.5588 21.5588 k =-0.0682 0.0472 0.3856 ( 988 PWs) bands (ev): -4.2568 -4.2568 -4.2568 -4.2568 8.4461 8.4461 8.4461 8.4461 9.1780 9.1780 9.1780 9.1780 10.6207 10.6207 10.6207 10.6207 19.9572 19.9572 19.9572 19.9572 21.6117 21.6117 21.6117 21.6117 k =-0.0758 0.0525 0.3856 ( 992 PWs) bands (ev): -4.2396 -4.2396 -4.2396 -4.2396 8.4019 8.4019 8.4019 8.4019 9.1565 9.1565 9.1565 9.1565 10.6234 10.6234 10.6234 10.6234 19.9359 19.9359 19.9359 19.9359 21.6703 21.6703 21.6703 21.6703 k =-0.0833 0.0577 0.3856 ( 988 PWs) bands (ev): -4.2207 -4.2207 -4.2207 -4.2207 8.3540 8.3540 8.3540 8.3540 9.1332 9.1332 9.1332 9.1332 10.6258 10.6258 10.6258 10.6258 19.9123 19.9123 19.9123 19.9123 21.7346 21.7346 21.7346 21.7346 k =-0.0909 0.0630 0.3856 ( 996 PWs) bands (ev): -4.2000 -4.2000 -4.2000 -4.2000 8.3026 8.3026 8.3026 8.3026 9.1080 9.1080 9.1080 9.1080 10.6274 10.6274 10.6275 10.6275 19.8862 19.8862 19.8862 19.8862 21.8043 21.8043 21.8043 21.8043 k =-0.0985 0.0682 0.3856 ( 996 PWs) bands (ev): -4.1776 -4.1776 -4.1776 -4.1776 8.2478 8.2478 8.2478 8.2478 9.0811 9.0811 9.0811 9.0811 10.6285 10.6285 10.6285 10.6285 19.8579 19.8579 19.8579 19.8579 21.8794 21.8794 21.8794 21.8794 k =-0.1061 0.0734 0.3856 ( 996 PWs) bands (ev): -4.1535 -4.1535 -4.1535 -4.1535 8.1900 8.1900 8.1900 8.1900 9.0526 9.0526 9.0526 9.0526 10.6287 10.6287 10.6287 10.6287 19.8274 19.8274 19.8274 19.8274 21.9595 21.9595 21.9595 21.9595 k =-0.1136 0.0787 0.3856 ( 996 PWs) bands (ev): -4.1278 -4.1278 -4.1278 -4.1278 8.1293 8.1293 8.1293 8.1293 9.0226 9.0226 9.0226 9.0226 10.6279 10.6279 10.6279 10.6279 19.7949 19.7949 19.7949 19.7949 22.0445 22.0445 22.0445 22.0445 k =-0.1212 0.0839 0.3856 ( 992 PWs) bands (ev): -4.1004 -4.1004 -4.1004 -4.1004 8.0658 8.0658 8.0658 8.0658 8.9912 8.9912 8.9912 8.9912 10.6262 10.6262 10.6262 10.6262 19.7605 19.7605 19.7605 19.7605 22.1343 22.1343 22.1343 22.1343 k =-0.1288 0.0892 0.3856 ( 988 PWs) bands (ev): -4.0714 -4.0714 -4.0714 -4.0714 7.9998 7.9998 7.9998 7.9998 8.9585 8.9585 8.9585 8.9585 10.6233 10.6233 10.6233 10.6233 19.7245 19.7245 19.7245 19.7245 22.2285 22.2285 22.2285 22.2285 k =-0.1364 0.0944 0.3856 ( 988 PWs) bands (ev): -4.0408 -4.0408 -4.0408 -4.0408 7.9314 7.9314 7.9314 7.9314 8.9247 8.9247 8.9247 8.9247 10.6191 10.6191 10.6191 10.6191 19.6871 19.6871 19.6871 19.6871 22.3270 22.3270 22.3270 22.3270 k =-0.1439 0.0997 0.3856 ( 988 PWs) bands (ev): -4.0086 -4.0086 -4.0086 -4.0086 7.8608 7.8608 7.8608 7.8608 8.8898 8.8898 8.8898 8.8898 10.6137 10.6137 10.6137 10.6137 19.6486 19.6486 19.6486 19.6486 22.4294 22.4294 22.4294 22.4294 k =-0.1515 0.1049 0.3856 ( 988 PWs) bands (ev): -3.9749 -3.9749 -3.9749 -3.9749 7.7882 7.7882 7.7882 7.7882 8.8540 8.8540 8.8540 8.8540 10.6069 10.6069 10.6069 10.6069 19.6092 19.6092 19.6092 19.6092 22.5356 22.5356 22.5356 22.5356 k =-0.1591 0.1102 0.3856 ( 988 PWs) bands (ev): -3.9398 -3.9398 -3.9398 -3.9398 7.7137 7.7137 7.7137 7.7137 8.8174 8.8174 8.8174 8.8174 10.5987 10.5987 10.5987 10.5987 19.5692 19.5692 19.5692 19.5692 22.6453 22.6453 22.6453 22.6453 k =-0.1667 0.1154 0.3856 ( 988 PWs) bands (ev): -3.9032 -3.9032 -3.9032 -3.9032 7.6374 7.6374 7.6374 7.6374 8.7801 8.7801 8.7801 8.7801 10.5891 10.5891 10.5891 10.5891 19.5290 19.5290 19.5290 19.5290 22.7581 22.7581 22.7581 22.7581 k =-0.1742 0.1207 0.3856 ( 988 PWs) bands (ev): -3.8652 -3.8652 -3.8652 -3.8652 7.5596 7.5596 7.5596 7.5596 8.7421 8.7421 8.7421 8.7421 10.5781 10.5781 10.5781 10.5781 19.4889 19.4889 19.4889 19.4889 22.8739 22.8739 22.8739 22.8739 k =-0.1818 0.1259 0.3856 ( 986 PWs) bands (ev): -3.8258 -3.8258 -3.8258 -3.8258 7.4804 7.4804 7.4804 7.4804 8.7038 8.7038 8.7038 8.7038 10.5655 10.5655 10.5655 10.5655 19.4491 19.4491 19.4491 19.4491 22.9922 22.9922 22.9922 22.9922 k =-0.1894 0.1311 0.3856 ( 986 PWs) bands (ev): -3.7851 -3.7851 -3.7851 -3.7851 7.3998 7.3998 7.3998 7.3998 8.6650 8.6650 8.6650 8.6650 10.5516 10.5516 10.5516 10.5516 19.4100 19.4100 19.4100 19.4100 23.1128 23.1128 23.1128 23.1128 k =-0.1970 0.1364 0.3856 ( 986 PWs) bands (ev): -3.7432 -3.7432 -3.7432 -3.7432 7.3181 7.3181 7.3181 7.3181 8.6259 8.6259 8.6259 8.6259 10.5363 10.5363 10.5363 10.5363 19.3717 19.3717 19.3717 19.3717 23.2352 23.2352 23.2352 23.2352 k =-0.2045 0.1416 0.3856 ( 982 PWs) bands (ev): -3.7001 -3.7001 -3.7000 -3.7000 7.2354 7.2354 7.2354 7.2354 8.5866 8.5866 8.5866 8.5866 10.5196 10.5196 10.5196 10.5196 19.3346 19.3346 19.3346 19.3346 23.3593 23.3593 23.3593 23.3593 k =-0.2121 0.1469 0.3856 ( 978 PWs) bands (ev): -3.6558 -3.6558 -3.6558 -3.6558 7.1518 7.1518 7.1518 7.1518 8.5473 8.5473 8.5473 8.5473 10.5016 10.5016 10.5016 10.5016 19.2989 19.2989 19.2989 19.2989 23.4845 23.4845 23.4845 23.4845 k =-0.2197 0.1521 0.3856 ( 986 PWs) bands (ev): -3.6104 -3.6104 -3.6104 -3.6104 7.0674 7.0674 7.0674 7.0674 8.5079 8.5079 8.5079 8.5079 10.4821 10.4821 10.4821 10.4821 19.2647 19.2647 19.2647 19.2647 23.6105 23.6105 23.6105 23.6105 k =-0.2273 0.1574 0.3856 ( 984 PWs) bands (ev): -3.5640 -3.5640 -3.5640 -3.5640 6.9823 6.9823 6.9823 6.9823 8.4687 8.4687 8.4687 8.4687 10.4616 10.4616 10.4616 10.4616 19.2323 19.2323 19.2323 19.2323 23.7368 23.7368 23.7368 23.7368 k =-0.2348 0.1626 0.3856 ( 984 PWs) bands (ev): -3.5167 -3.5167 -3.5167 -3.5167 6.8968 6.8968 6.8968 6.8968 8.4296 8.4296 8.4296 8.4296 10.4398 10.4398 10.4398 10.4398 19.2019 19.2019 19.2019 19.2019 23.8632 23.8632 23.8632 23.8632 k =-0.2424 0.1679 0.3856 ( 984 PWs) bands (ev): -3.4685 -3.4685 -3.4685 -3.4685 6.8109 6.8109 6.8109 6.8109 8.3908 8.3908 8.3908 8.3908 10.4170 10.4170 10.4170 10.4170 19.1735 19.1735 19.1735 19.1735 23.9890 23.9890 23.9890 23.9890 k =-0.2500 0.1731 0.3856 ( 986 PWs) bands (ev): -3.4195 -3.4195 -3.4195 -3.4195 6.7247 6.7247 6.7247 6.7247 8.3524 8.3524 8.3524 8.3524 10.3932 10.3932 10.3932 10.3932 19.1472 19.1472 19.1472 19.1472 24.1140 24.1140 24.1140 24.1140 k =-0.2576 0.1784 0.3856 ( 988 PWs) bands (ev): -3.3697 -3.3697 -3.3697 -3.3697 6.6384 6.6384 6.6384 6.6384 8.3143 8.3143 8.3143 8.3143 10.3685 10.3685 10.3685 10.3685 19.1233 19.1233 19.1233 19.1233 24.2376 24.2376 24.2376 24.2376 k =-0.2652 0.1836 0.3856 ( 988 PWs) bands (ev): -3.3194 -3.3194 -3.3194 -3.3194 6.5522 6.5522 6.5522 6.5522 8.2767 8.2767 8.2767 8.2767 10.3429 10.3429 10.3429 10.3429 19.1016 19.1016 19.1016 19.1016 24.3594 24.3594 24.3594 24.3594 k =-0.2727 0.1889 0.3856 ( 988 PWs) bands (ev): -3.2685 -3.2685 -3.2685 -3.2685 6.4661 6.4661 6.4661 6.4661 8.2398 8.2398 8.2398 8.2398 10.3166 10.3166 10.3166 10.3166 19.0822 19.0822 19.0822 19.0822 24.4789 24.4789 24.4789 24.4789 k =-0.2803 0.1941 0.3856 ( 988 PWs) bands (ev): -3.2172 -3.2172 -3.2172 -3.2172 6.3802 6.3802 6.3802 6.3802 8.2035 8.2035 8.2035 8.2035 10.2898 10.2898 10.2898 10.2898 19.0652 19.0652 19.0652 19.0652 24.5958 24.5958 24.5958 24.5958 k =-0.2879 0.1993 0.3856 ( 988 PWs) bands (ev): -3.1655 -3.1655 -3.1655 -3.1655 6.2949 6.2949 6.2949 6.2949 8.1679 8.1679 8.1679 8.1679 10.2624 10.2624 10.2624 10.2624 19.0505 19.0505 19.0505 19.0505 24.7096 24.7096 24.7096 24.7096 k =-0.2955 0.2046 0.3856 ( 988 PWs) bands (ev): -3.1136 -3.1136 -3.1136 -3.1136 6.2101 6.2101 6.2101 6.2101 8.1330 8.1330 8.1330 8.1330 10.2347 10.2347 10.2347 10.2347 19.0382 19.0382 19.0382 19.0382 24.8198 24.8198 24.8198 24.8198 k =-0.3030 0.2098 0.3856 ( 988 PWs) bands (ev): -3.0617 -3.0617 -3.0617 -3.0617 6.1260 6.1260 6.1260 6.1260 8.0990 8.0990 8.0990 8.0990 10.2068 10.2068 10.2068 10.2068 19.0280 19.0280 19.0280 19.0280 24.9261 24.9261 24.9261 24.9261 k =-0.3106 0.2151 0.3856 ( 988 PWs) bands (ev): -3.0097 -3.0097 -3.0097 -3.0097 6.0428 6.0428 6.0428 6.0428 8.0659 8.0659 8.0659 8.0659 10.1787 10.1787 10.1787 10.1787 19.0201 19.0201 19.0201 19.0201 25.0281 25.0281 25.0281 25.0281 k =-0.3182 0.2203 0.3856 ( 992 PWs) bands (ev): -2.9578 -2.9578 -2.9578 -2.9578 5.9607 5.9607 5.9607 5.9607 8.0336 8.0336 8.0336 8.0336 10.1506 10.1506 10.1506 10.1506 19.0142 19.0142 19.0142 19.0142 25.1256 25.1256 25.1256 25.1256 k =-0.3258 0.2256 0.3856 ( 992 PWs) bands (ev): -2.9063 -2.9063 -2.9063 -2.9063 5.8798 5.8798 5.8798 5.8798 8.0024 8.0024 8.0024 8.0024 10.1227 10.1227 10.1227 10.1227 19.0104 19.0104 19.0104 19.0104 25.2184 25.2184 25.2184 25.2184 k =-0.3333 0.2308 0.3856 ( 1002 PWs) bands (ev): -2.8551 -2.8551 -2.8551 -2.8551 5.8003 5.8003 5.8003 5.8003 7.9721 7.9721 7.9721 7.9721 10.0948 10.0948 10.0948 10.0948 19.0084 19.0084 19.0084 19.0084 25.3061 25.3061 25.3061 25.3061 k =-0.3409 0.2361 0.3856 ( 1002 PWs) bands (ev): -2.8045 -2.8045 -2.8045 -2.8045 5.7224 5.7224 5.7224 5.7224 7.9429 7.9429 7.9429 7.9429 10.0674 10.0674 10.0674 10.0674 19.0082 19.0082 19.0082 19.0082 25.3886 25.3886 25.3886 25.3886 k =-0.3485 0.2413 0.3856 ( 1006 PWs) bands (ev): -2.7546 -2.7546 -2.7546 -2.7546 5.6462 5.6462 5.6462 5.6462 7.9149 7.9149 7.9149 7.9149 10.0404 10.0404 10.0404 10.0404 19.0096 19.0096 19.0096 19.0096 25.4659 25.4659 25.4659 25.4659 k =-0.3561 0.2466 0.3856 ( 1010 PWs) bands (ev): -2.7055 -2.7055 -2.7055 -2.7055 5.5719 5.5719 5.5719 5.5719 7.8879 7.8879 7.8879 7.8879 10.0140 10.0140 10.0140 10.0140 19.0125 19.0125 19.0125 19.0125 25.5379 25.5379 25.5379 25.5379 k =-0.3636 0.2518 0.3856 ( 1012 PWs) bands (ev): -2.6575 -2.6575 -2.6575 -2.6575 5.4997 5.4997 5.4997 5.4997 7.8622 7.8622 7.8622 7.8622 9.9883 9.9883 9.9883 9.9883 19.0167 19.0167 19.0167 19.0167 25.6025 25.6025 25.6025 25.6025 k =-0.3712 0.2571 0.3856 ( 1012 PWs) bands (ev): -2.6107 -2.6107 -2.6107 -2.6107 5.4300 5.4300 5.4300 5.4300 7.8377 7.8377 7.8377 7.8377 9.9634 9.9634 9.9634 9.9634 19.0220 19.0220 19.0220 19.0220 25.5990 25.5990 25.5990 25.5990 k =-0.3788 0.2623 0.3856 ( 1012 PWs) bands (ev): -2.5652 -2.5652 -2.5652 -2.5652 5.3627 5.3627 5.3627 5.3627 7.8144 7.8144 7.8144 7.8144 9.9394 9.9394 9.9394 9.9394 19.0284 19.0284 19.0284 19.0284 25.5763 25.5763 25.5763 25.5763 k =-0.3864 0.2675 0.3856 ( 1012 PWs) bands (ev): -2.5213 -2.5213 -2.5213 -2.5213 5.2981 5.2981 5.2981 5.2981 7.7924 7.7924 7.7924 7.7924 9.9163 9.9163 9.9163 9.9163 19.0355 19.0355 19.0355 19.0355 25.5520 25.5520 25.5520 25.5520 k =-0.3939 0.2728 0.3856 ( 1012 PWs) bands (ev): -2.4791 -2.4791 -2.4791 -2.4791 5.2365 5.2365 5.2365 5.2365 7.7717 7.7717 7.7717 7.7717 9.8944 9.8944 9.8944 9.8944 19.0433 19.0433 19.0433 19.0433 25.5267 25.5267 25.5267 25.5267 k =-0.4015 0.2780 0.3856 ( 1010 PWs) bands (ev): -2.4388 -2.4388 -2.4388 -2.4388 5.1780 5.1780 5.1780 5.1780 7.7523 7.7523 7.7523 7.7523 9.8735 9.8735 9.8735 9.8735 19.0515 19.0515 19.0515 19.0515 25.5009 25.5009 25.5009 25.5009 k =-0.4091 0.2833 0.3856 ( 1014 PWs) bands (ev): -2.4006 -2.4006 -2.4006 -2.4006 5.1228 5.1228 5.1228 5.1228 7.7342 7.7342 7.7342 7.7342 9.8539 9.8539 9.8539 9.8539 19.0600 19.0600 19.0600 19.0600 25.4752 25.4752 25.4752 25.4752 k =-0.4167 0.2885 0.3856 ( 1014 PWs) bands (ev): -2.3646 -2.3646 -2.3646 -2.3646 5.0711 5.0711 5.0711 5.0711 7.7175 7.7175 7.7175 7.7175 9.8356 9.8356 9.8356 9.8356 19.0686 19.0686 19.0686 19.0686 25.4499 25.4499 25.4499 25.4499 k =-0.4242 0.2938 0.3856 ( 1014 PWs) bands (ev): -2.3310 -2.3310 -2.3310 -2.3310 5.0232 5.0232 5.0232 5.0232 7.7023 7.7023 7.7023 7.7023 9.8186 9.8186 9.8186 9.8186 19.0771 19.0771 19.0771 19.0771 25.4254 25.4254 25.4254 25.4254 k =-0.4318 0.2990 0.3856 ( 1014 PWs) bands (ev): -2.3001 -2.3001 -2.3001 -2.3001 4.9792 4.9792 4.9792 4.9792 7.6884 7.6884 7.6884 7.6884 9.8031 9.8031 9.8031 9.8031 19.0853 19.0853 19.0853 19.0853 25.4021 25.4021 25.4021 25.4021 k =-0.4394 0.3043 0.3856 ( 1014 PWs) bands (ev): -2.2719 -2.2719 -2.2719 -2.2719 4.9392 4.9392 4.9392 4.9392 7.6759 7.6759 7.6759 7.6759 9.7891 9.7891 9.7891 9.7891 19.0932 19.0932 19.0932 19.0932 25.3803 25.3803 25.3803 25.3803 k =-0.4470 0.3095 0.3856 ( 1002 PWs) bands (ev): -2.2466 -2.2466 -2.2466 -2.2466 4.9036 4.9036 4.9036 4.9036 7.6650 7.6650 7.6650 7.6650 9.7767 9.7767 9.7767 9.7767 19.1007 19.1007 19.1007 19.1007 25.3604 25.3604 25.3604 25.3604 k =-0.4545 0.3148 0.3856 ( 1002 PWs) bands (ev): -2.2244 -2.2244 -2.2244 -2.2244 4.8724 4.8724 4.8724 4.8724 7.6554 7.6554 7.6554 7.6554 9.7657 9.7657 9.7657 9.7657 19.1073 19.1073 19.1073 19.1073 25.3426 25.3426 25.3426 25.3426 k =-0.4621 0.3200 0.3856 ( 1002 PWs) bands (ev): -2.2053 -2.2053 -2.2053 -2.2053 4.8457 4.8457 4.8457 4.8457 7.6473 7.6473 7.6473 7.6473 9.7564 9.7564 9.7564 9.7564 19.1131 19.1131 19.1131 19.1131 25.3271 25.3271 25.3271 25.3271 k =-0.4697 0.3253 0.3856 ( 1010 PWs) bands (ev): -2.1896 -2.1896 -2.1896 -2.1896 4.8236 4.8236 4.8236 4.8236 7.6406 7.6406 7.6406 7.6406 9.7487 9.7487 9.7487 9.7487 19.1180 19.1180 19.1180 19.1180 25.3141 25.3141 25.3141 25.3141 k =-0.4773 0.3305 0.3856 ( 1010 PWs) bands (ev): -2.1772 -2.1772 -2.1772 -2.1772 4.8064 4.8064 4.8064 4.8064 7.6354 7.6354 7.6354 7.6354 9.7427 9.7427 9.7427 9.7427 19.1219 19.1219 19.1219 19.1219 25.3038 25.3038 25.3038 25.3038 k =-0.4848 0.3357 0.3856 ( 1010 PWs) bands (ev): -2.1684 -2.1684 -2.1684 -2.1684 4.7940 4.7940 4.7940 4.7940 7.6317 7.6317 7.6317 7.6317 9.7384 9.7384 9.7384 9.7384 19.1248 19.1248 19.1248 19.1248 25.2964 25.2964 25.2964 25.2964 k =-0.4924 0.3410 0.3856 ( 1010 PWs) bands (ev): -2.1630 -2.1630 -2.1630 -2.1630 4.7865 4.7865 4.7865 4.7865 7.6295 7.6295 7.6295 7.6295 9.7358 9.7358 9.7358 9.7358 19.1265 19.1265 19.1265 19.1265 25.2919 25.2919 25.2919 25.2919 k =-0.5000 0.3462 0.3856 ( 1008 PWs) bands (ev): -2.1612 -2.1612 -2.1612 -2.1612 4.7841 4.7841 4.7841 4.7841 7.6287 7.6287 7.6287 7.6287 9.7350 9.7350 9.7350 9.7350 19.1271 19.1271 19.1271 19.1271 25.2904 25.2904 25.2904 25.2904 Writing output data file AlN.save init_run : 1.59s CPU 11.28s WALL ( 1 calls) electrons : 194.44s CPU 200.99s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.06s WALL ( 1 calls) potinit : 0.31s CPU 1.44s WALL ( 1 calls) Called by electrons: c_bands : 194.43s CPU 200.74s WALL ( 1 calls) v_of_rho : 0.07s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.55s WALL ( 1 calls) newd : 0.21s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 584 calls) cegterg : 154.49s CPU 156.43s WALL ( 971 calls) Called by sum_band: Called by *egterg: h_psi : 71.39s CPU 78.61s WALL ( 16279 calls) s_psi : 2.84s CPU 4.05s WALL ( 16279 calls) g_psi : 0.08s CPU 0.16s WALL ( 14724 calls) cdiaghg : 56.91s CPU 55.49s WALL ( 15308 calls) cegterg:over : 12.99s CPU 10.99s WALL ( 14724 calls) cegterg:upda : 0.64s CPU 1.41s WALL ( 14724 calls) cegterg:last : 0.49s CPU 1.06s WALL ( 2736 calls) Called by h_psi: h_psi:vloc : 59.35s CPU 67.01s WALL ( 16279 calls) h_psi:vnl : 11.98s CPU 11.41s WALL ( 16279 calls) add_vuspsi : 1.26s CPU 2.96s WALL ( 16279 calls) General routines calbec : 10.70s CPU 8.36s WALL ( 16279 calls) fft : 0.33s CPU 1.45s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 57.23s CPU 64.17s WALL ( 814404 calls) interpolate : 0.12s CPU 0.12s WALL ( 4 calls) davcio : 0.02s CPU 1.71s WALL ( 1168 calls) Parallel routines fft_scatter : 43.61s CPU 48.40s WALL ( 814427 calls) PWSCF : 4m 2.54s CPU 5m58.20s WALL This run was terminated on: 5:17:59 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=