Program PWSCF v.5.1.1 starts on 21Jul2015 at 5: 1:29 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: ./GeS.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 18 16 5 332 270 47 Max 19 17 6 335 281 50 Sum 897 793 243 16027 13233 2267 bravais-lattice index = 14 lattice parameter (alat) = 9.6792 a.u. unit-cell volume = 386.4249 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 40.0000 Ry charge density cutoff = 182.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.679155 celldm(2)= 1.000000 celldm(3)= 0.638867 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.745035 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.745035 0.667025 0.000000 ) a(3) = ( 0.000000 0.000000 0.638867 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.116952 -0.000000 ) b(2) = ( 0.000000 1.499193 -0.000000 ) b(3) = ( 0.000000 0.000000 1.565271 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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 S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ge 4.00 72.64000 Ge( 1.00) S 6.00 32.06500 S( 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= 484 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0057305 0.0149919 -0.0000000), wk = 0.0020661 k( 3) = ( 0.0114611 0.0299839 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0171916 0.0449758 -0.0000000), wk = 0.0020661 k( 5) = ( 0.0229222 0.0599677 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0286527 0.0749597 -0.0000000), wk = 0.0020661 k( 7) = ( 0.0343833 0.0899516 -0.0000000), wk = 0.0020661 k( 8) = ( 0.0401138 0.1049435 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0458443 0.1199355 -0.0000000), wk = 0.0020661 k( 10) = ( 0.0515749 0.1349274 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0573054 0.1499193 -0.0000000), wk = 0.0020661 k( 12) = ( 0.0630360 0.1649113 -0.0000000), wk = 0.0020661 k( 13) = ( 0.0687665 0.1799032 -0.0000000), wk = 0.0020661 k( 14) = ( 0.0744971 0.1948951 -0.0000000), wk = 0.0020661 k( 15) = ( 0.0802276 0.2098871 -0.0000000), wk = 0.0020661 k( 16) = ( 0.0859582 0.2248790 -0.0000000), wk = 0.0020661 k( 17) = ( 0.0916887 0.2398709 -0.0000000), wk = 0.0020661 k( 18) = ( 0.0974192 0.2548629 -0.0000000), wk = 0.0020661 k( 19) = ( 0.1031498 0.2698548 -0.0000000), wk = 0.0020661 k( 20) = ( 0.1088803 0.2848468 -0.0000000), wk = 0.0020661 k( 21) = ( 0.1146109 0.2998387 -0.0000000), wk = 0.0020661 k( 22) = ( 0.1203414 0.3148306 -0.0000000), wk = 0.0020661 k( 23) = ( 0.1260720 0.3298226 -0.0000000), wk = 0.0020661 k( 24) = ( 0.1318025 0.3448145 -0.0000000), wk = 0.0020661 k( 25) = ( 0.1375330 0.3598064 -0.0000000), wk = 0.0020661 k( 26) = ( 0.1432636 0.3747984 -0.0000000), wk = 0.0020661 k( 27) = ( 0.1489941 0.3897903 -0.0000000), wk = 0.0020661 k( 28) = ( 0.1547247 0.4047822 -0.0000000), wk = 0.0020661 k( 29) = ( 0.1604552 0.4197742 -0.0000000), wk = 0.0020661 k( 30) = ( 0.1661858 0.4347661 -0.0000000), wk = 0.0020661 k( 31) = ( 0.1719163 0.4497580 -0.0000000), wk = 0.0020661 k( 32) = ( 0.1776469 0.4647500 -0.0000000), wk = 0.0020661 k( 33) = ( 0.1833774 0.4797419 -0.0000000), wk = 0.0020661 k( 34) = ( 0.1891079 0.4947338 -0.0000000), wk = 0.0020661 k( 35) = ( 0.1948385 0.5097258 -0.0000000), wk = 0.0020661 k( 36) = ( 0.2005690 0.5247177 -0.0000000), wk = 0.0020661 k( 37) = ( 0.2062996 0.5397096 -0.0000000), wk = 0.0020661 k( 38) = ( 0.2120301 0.5547016 -0.0000000), wk = 0.0020661 k( 39) = ( 0.2177607 0.5696935 -0.0000000), wk = 0.0020661 k( 40) = ( 0.2234912 0.5846854 -0.0000000), wk = 0.0020661 k( 41) = ( 0.2292218 0.5996774 -0.0000000), wk = 0.0020661 k( 42) = ( 0.2349523 0.6146693 -0.0000000), wk = 0.0020661 k( 43) = ( 0.2406829 0.6296613 -0.0000000), wk = 0.0020661 k( 44) = ( 0.2464134 0.6446532 -0.0000000), wk = 0.0020661 k( 45) = ( 0.2521439 0.6596451 -0.0000000), wk = 0.0020661 k( 46) = ( 0.2578745 0.6746371 -0.0000000), wk = 0.0020661 k( 47) = ( 0.2636050 0.6896290 -0.0000000), wk = 0.0020661 k( 48) = ( 0.2693356 0.7046209 -0.0000000), wk = 0.0020661 k( 49) = ( 0.2750661 0.7196129 -0.0000000), wk = 0.0020661 k( 50) = ( 0.2807966 0.7346048 -0.0000000), wk = 0.0020661 k( 51) = ( 0.2865272 0.7495967 -0.0000000), wk = 0.0020661 k( 52) = ( 0.2865272 0.7495967 -0.0000000), wk = 0.0020661 k( 53) = ( 0.2706090 0.7495967 -0.0000000), wk = 0.0020661 k( 54) = ( 0.2546908 0.7495967 -0.0000000), wk = 0.0020661 k( 55) = ( 0.2387727 0.7495967 -0.0000000), wk = 0.0020661 k( 56) = ( 0.2228545 0.7495967 -0.0000000), wk = 0.0020661 k( 57) = ( 0.2069363 0.7495967 -0.0000000), wk = 0.0020661 k( 58) = ( 0.1910181 0.7495967 -0.0000000), wk = 0.0020661 k( 59) = ( 0.1751000 0.7495967 -0.0000000), wk = 0.0020661 k( 60) = ( 0.1591818 0.7495967 -0.0000000), wk = 0.0020661 k( 61) = ( 0.1432636 0.7495967 -0.0000000), wk = 0.0020661 k( 62) = ( 0.1273454 0.7495967 -0.0000000), wk = 0.0020661 k( 63) = ( 0.1114272 0.7495967 -0.0000000), wk = 0.0020661 k( 64) = ( 0.0955091 0.7495967 -0.0000000), wk = 0.0020661 k( 65) = ( 0.0795909 0.7495967 -0.0000000), wk = 0.0020661 k( 66) = ( 0.0636727 0.7495967 -0.0000000), wk = 0.0020661 k( 67) = ( 0.0477545 0.7495967 -0.0000000), wk = 0.0020661 k( 68) = ( 0.0318364 0.7495967 -0.0000000), wk = 0.0020661 k( 69) = ( 0.0159182 0.7495967 -0.0000000), wk = 0.0020661 k( 70) = ( 0.0000000 0.7495967 -0.0000000), wk = 0.0020661 k( 71) = ( 0.0000000 0.7495967 -0.0000000), wk = 0.0020661 k( 72) = ( 0.0000000 0.7495967 0.0159721), wk = 0.0020661 k( 73) = ( 0.0000000 0.7495967 0.0319443), wk = 0.0020661 k( 74) = ( 0.0000000 0.7495967 0.0479164), wk = 0.0020661 k( 75) = ( 0.0000000 0.7495967 0.0638886), wk = 0.0020661 k( 76) = ( 0.0000000 0.7495967 0.0798608), wk = 0.0020661 k( 77) = ( 0.0000000 0.7495967 0.0958329), wk = 0.0020661 k( 78) = ( 0.0000000 0.7495967 0.1118050), wk = 0.0020661 k( 79) = ( 0.0000000 0.7495967 0.1277772), wk = 0.0020661 k( 80) = ( 0.0000000 0.7495967 0.1437493), wk = 0.0020661 k( 81) = ( 0.0000000 0.7495967 0.1597215), wk = 0.0020661 k( 82) = ( 0.0000000 0.7495967 0.1756937), wk = 0.0020661 k( 83) = ( 0.0000000 0.7495967 0.1916658), wk = 0.0020661 k( 84) = ( 0.0000000 0.7495967 0.2076379), wk = 0.0020661 k( 85) = ( 0.0000000 0.7495967 0.2236101), wk = 0.0020661 k( 86) = ( 0.0000000 0.7495967 0.2395822), wk = 0.0020661 k( 87) = ( 0.0000000 0.7495967 0.2555544), wk = 0.0020661 k( 88) = ( 0.0000000 0.7495967 0.2715266), wk = 0.0020661 k( 89) = ( 0.0000000 0.7495967 0.2874987), wk = 0.0020661 k( 90) = ( 0.0000000 0.7495967 0.3034708), wk = 0.0020661 k( 91) = ( 0.0000000 0.7495967 0.3194430), wk = 0.0020661 k( 92) = ( 0.0000000 0.7495967 0.3354151), wk = 0.0020661 k( 93) = ( 0.0000000 0.7495967 0.3513873), wk = 0.0020661 k( 94) = ( 0.0000000 0.7495967 0.3673595), wk = 0.0020661 k( 95) = ( 0.0000000 0.7495967 0.3833316), wk = 0.0020661 k( 96) = ( 0.0000000 0.7495967 0.3993037), wk = 0.0020661 k( 97) = ( 0.0000000 0.7495967 0.4152759), wk = 0.0020661 k( 98) = ( 0.0000000 0.7495967 0.4312480), wk = 0.0020661 k( 99) = ( 0.0000000 0.7495967 0.4472202), wk = 0.0020661 k( 100) = ( 0.0000000 0.7495967 0.4631924), wk = 0.0020661 k( 101) = ( 0.0000000 0.7495967 0.4791645), wk = 0.0020661 k( 102) = ( 0.0000000 0.7495967 0.4951367), wk = 0.0020661 k( 103) = ( 0.0000000 0.7495967 0.5111088), wk = 0.0020661 k( 104) = ( 0.0000000 0.7495967 0.5270809), wk = 0.0020661 k( 105) = ( 0.0000000 0.7495967 0.5430531), wk = 0.0020661 k( 106) = ( 0.0000000 0.7495967 0.5590253), wk = 0.0020661 k( 107) = ( 0.0000000 0.7495967 0.5749974), wk = 0.0020661 k( 108) = ( 0.0000000 0.7495967 0.5909696), wk = 0.0020661 k( 109) = ( 0.0000000 0.7495967 0.6069417), wk = 0.0020661 k( 110) = ( 0.0000000 0.7495967 0.6229138), wk = 0.0020661 k( 111) = ( 0.0000000 0.7495967 0.6388860), wk = 0.0020661 k( 112) = ( 0.0000000 0.7495967 0.6548582), wk = 0.0020661 k( 113) = ( 0.0000000 0.7495967 0.6708303), wk = 0.0020661 k( 114) = ( 0.0000000 0.7495967 0.6868025), wk = 0.0020661 k( 115) = ( 0.0000000 0.7495967 0.7027746), wk = 0.0020661 k( 116) = ( 0.0000000 0.7495967 0.7187467), wk = 0.0020661 k( 117) = ( 0.0000000 0.7495967 0.7347189), wk = 0.0020661 k( 118) = ( 0.0000000 0.7495967 0.7506911), wk = 0.0020661 k( 119) = ( 0.0000000 0.7495967 0.7666632), wk = 0.0020661 k( 120) = ( 0.0000000 0.7495967 0.7826354), wk = 0.0020661 k( 121) = ( 0.0000000 0.7495967 0.7826354), wk = 0.0020661 k( 122) = ( 0.0159182 0.7495967 0.7826354), wk = 0.0020661 k( 123) = ( 0.0318364 0.7495967 0.7826354), wk = 0.0020661 k( 124) = ( 0.0477545 0.7495967 0.7826354), wk = 0.0020661 k( 125) = ( 0.0636727 0.7495967 0.7826354), wk = 0.0020661 k( 126) = ( 0.0795909 0.7495967 0.7826354), wk = 0.0020661 k( 127) = ( 0.0955091 0.7495967 0.7826354), wk = 0.0020661 k( 128) = ( 0.1114272 0.7495967 0.7826354), wk = 0.0020661 k( 129) = ( 0.1273454 0.7495967 0.7826354), wk = 0.0020661 k( 130) = ( 0.1432636 0.7495967 0.7826354), wk = 0.0020661 k( 131) = ( 0.1591818 0.7495967 0.7826354), wk = 0.0020661 k( 132) = ( 0.1751000 0.7495967 0.7826354), wk = 0.0020661 k( 133) = ( 0.1910181 0.7495967 0.7826354), wk = 0.0020661 k( 134) = ( 0.2069363 0.7495967 0.7826354), wk = 0.0020661 k( 135) = ( 0.2228545 0.7495967 0.7826354), wk = 0.0020661 k( 136) = ( 0.2387727 0.7495967 0.7826354), wk = 0.0020661 k( 137) = ( 0.2546908 0.7495967 0.7826354), wk = 0.0020661 k( 138) = ( 0.2706090 0.7495967 0.7826354), wk = 0.0020661 k( 139) = ( 0.2865272 0.7495967 0.7826354), wk = 0.0020661 k( 140) = ( 0.2865272 0.7495967 0.7826354), wk = 0.0020661 k( 141) = ( 0.2807966 0.7346048 0.7826354), wk = 0.0020661 k( 142) = ( 0.2750661 0.7196129 0.7826354), wk = 0.0020661 k( 143) = ( 0.2693356 0.7046209 0.7826354), wk = 0.0020661 k( 144) = ( 0.2636050 0.6896290 0.7826354), wk = 0.0020661 k( 145) = ( 0.2578745 0.6746371 0.7826354), wk = 0.0020661 k( 146) = ( 0.2521439 0.6596451 0.7826354), wk = 0.0020661 k( 147) = ( 0.2464134 0.6446532 0.7826354), wk = 0.0020661 k( 148) = ( 0.2406829 0.6296613 0.7826354), wk = 0.0020661 k( 149) = ( 0.2349523 0.6146693 0.7826354), wk = 0.0020661 k( 150) = ( 0.2292218 0.5996774 0.7826354), wk = 0.0020661 k( 151) = ( 0.2234912 0.5846854 0.7826354), wk = 0.0020661 k( 152) = ( 0.2177607 0.5696935 0.7826354), wk = 0.0020661 k( 153) = ( 0.2120301 0.5547016 0.7826354), wk = 0.0020661 k( 154) = ( 0.2062996 0.5397096 0.7826354), wk = 0.0020661 k( 155) = ( 0.2005690 0.5247177 0.7826354), wk = 0.0020661 k( 156) = ( 0.1948385 0.5097258 0.7826354), wk = 0.0020661 k( 157) = ( 0.1891079 0.4947338 0.7826354), wk = 0.0020661 k( 158) = ( 0.1833774 0.4797419 0.7826354), wk = 0.0020661 k( 159) = ( 0.1776469 0.4647500 0.7826354), wk = 0.0020661 k( 160) = ( 0.1719163 0.4497580 0.7826354), wk = 0.0020661 k( 161) = ( 0.1661858 0.4347661 0.7826354), wk = 0.0020661 k( 162) = ( 0.1604552 0.4197742 0.7826354), wk = 0.0020661 k( 163) = ( 0.1547247 0.4047822 0.7826354), wk = 0.0020661 k( 164) = ( 0.1489941 0.3897903 0.7826354), wk = 0.0020661 k( 165) = ( 0.1432636 0.3747984 0.7826354), wk = 0.0020661 k( 166) = ( 0.1375330 0.3598064 0.7826354), wk = 0.0020661 k( 167) = ( 0.1318025 0.3448145 0.7826354), wk = 0.0020661 k( 168) = ( 0.1260720 0.3298226 0.7826354), wk = 0.0020661 k( 169) = ( 0.1203414 0.3148306 0.7826354), wk = 0.0020661 k( 170) = ( 0.1146109 0.2998387 0.7826354), wk = 0.0020661 k( 171) = ( 0.1088803 0.2848468 0.7826354), wk = 0.0020661 k( 172) = ( 0.1031498 0.2698548 0.7826354), wk = 0.0020661 k( 173) = ( 0.0974192 0.2548629 0.7826354), wk = 0.0020661 k( 174) = ( 0.0916887 0.2398709 0.7826354), wk = 0.0020661 k( 175) = ( 0.0859582 0.2248790 0.7826354), wk = 0.0020661 k( 176) = ( 0.0802276 0.2098871 0.7826354), wk = 0.0020661 k( 177) = ( 0.0744971 0.1948951 0.7826354), wk = 0.0020661 k( 178) = ( 0.0687665 0.1799032 0.7826354), wk = 0.0020661 k( 179) = ( 0.0630360 0.1649113 0.7826354), wk = 0.0020661 k( 180) = ( 0.0573054 0.1499193 0.7826354), wk = 0.0020661 k( 181) = ( 0.0515749 0.1349274 0.7826354), wk = 0.0020661 k( 182) = ( 0.0458443 0.1199355 0.7826354), wk = 0.0020661 k( 183) = ( 0.0401138 0.1049435 0.7826354), wk = 0.0020661 k( 184) = ( 0.0343833 0.0899516 0.7826354), wk = 0.0020661 k( 185) = ( 0.0286527 0.0749597 0.7826354), wk = 0.0020661 k( 186) = ( 0.0229222 0.0599677 0.7826354), wk = 0.0020661 k( 187) = ( 0.0171916 0.0449758 0.7826354), wk = 0.0020661 k( 188) = ( 0.0114611 0.0299839 0.7826354), wk = 0.0020661 k( 189) = ( 0.0057305 0.0149919 0.7826354), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.7826354), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.7826354), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.7666632), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.7506911), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.7347189), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.7187467), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.7027746), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.6868025), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.6708303), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.6548582), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.6388860), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.6229138), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.6069417), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.5909696), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.5749974), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.5590253), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.5430531), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.5270809), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.5111088), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.4951367), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.4791645), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.4631924), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.4472202), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.4312480), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.4152759), wk = 0.0020661 k( 215) = ( 0.0000000 0.0000000 0.3993037), wk = 0.0020661 k( 216) = ( 0.0000000 0.0000000 0.3833316), wk = 0.0020661 k( 217) = ( 0.0000000 0.0000000 0.3673595), wk = 0.0020661 k( 218) = ( 0.0000000 0.0000000 0.3513873), wk = 0.0020661 k( 219) = ( 0.0000000 0.0000000 0.3354151), wk = 0.0020661 k( 220) = ( 0.0000000 0.0000000 0.3194430), wk = 0.0020661 k( 221) = ( 0.0000000 0.0000000 0.3034708), wk = 0.0020661 k( 222) = ( 0.0000000 0.0000000 0.2874987), wk = 0.0020661 k( 223) = ( 0.0000000 0.0000000 0.2715266), wk = 0.0020661 k( 224) = ( 0.0000000 0.0000000 0.2555544), wk = 0.0020661 k( 225) = ( 0.0000000 0.0000000 0.2395822), wk = 0.0020661 k( 226) = ( 0.0000000 0.0000000 0.2236101), wk = 0.0020661 k( 227) = ( 0.0000000 0.0000000 0.2076379), wk = 0.0020661 k( 228) = ( 0.0000000 0.0000000 0.1916658), wk = 0.0020661 k( 229) = ( 0.0000000 0.0000000 0.1756937), wk = 0.0020661 k( 230) = ( 0.0000000 0.0000000 0.1597215), wk = 0.0020661 k( 231) = ( 0.0000000 0.0000000 0.1437493), wk = 0.0020661 k( 232) = ( 0.0000000 0.0000000 0.1277772), wk = 0.0020661 k( 233) = ( 0.0000000 0.0000000 0.1118050), wk = 0.0020661 k( 234) = ( 0.0000000 0.0000000 0.0958329), wk = 0.0020661 k( 235) = ( 0.0000000 0.0000000 0.0798608), wk = 0.0020661 k( 236) = ( 0.0000000 0.0000000 0.0638886), wk = 0.0020661 k( 237) = ( 0.0000000 0.0000000 0.0479164), wk = 0.0020661 k( 238) = ( 0.0000000 0.0000000 0.0319443), wk = 0.0020661 k( 239) = ( 0.0000000 0.0000000 0.0159721), wk = 0.0020661 k( 240) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 242) = ( -0.0151515 0.0057915 0.0000000), wk = 0.0020661 k( 243) = ( -0.0303030 0.0115831 0.0000000), wk = 0.0020661 k( 244) = ( -0.0454546 0.0173746 0.0000000), wk = 0.0020661 k( 245) = ( -0.0606061 0.0231662 0.0000000), wk = 0.0020661 k( 246) = ( -0.0757576 0.0289577 0.0000000), wk = 0.0020661 k( 247) = ( -0.0909091 0.0347493 0.0000000), wk = 0.0020661 k( 248) = ( -0.1060606 0.0405408 0.0000000), wk = 0.0020661 k( 249) = ( -0.1212121 0.0463323 0.0000000), wk = 0.0020661 k( 250) = ( -0.1363636 0.0521239 0.0000000), wk = 0.0020661 k( 251) = ( -0.1515151 0.0579154 0.0000000), wk = 0.0020661 k( 252) = ( -0.1666667 0.0637070 0.0000000), wk = 0.0020661 k( 253) = ( -0.1818182 0.0694985 0.0000000), wk = 0.0020661 k( 254) = ( -0.1969697 0.0752901 0.0000000), wk = 0.0020661 k( 255) = ( -0.2121212 0.0810816 0.0000000), wk = 0.0020661 k( 256) = ( -0.2272727 0.0868731 0.0000000), wk = 0.0020661 k( 257) = ( -0.2424242 0.0926647 0.0000000), wk = 0.0020661 k( 258) = ( -0.2575758 0.0984562 0.0000000), wk = 0.0020661 k( 259) = ( -0.2727273 0.1042478 0.0000000), wk = 0.0020661 k( 260) = ( -0.2878788 0.1100393 0.0000000), wk = 0.0020661 k( 261) = ( -0.3030303 0.1158308 0.0000000), wk = 0.0020661 k( 262) = ( -0.3181818 0.1216224 0.0000000), wk = 0.0020661 k( 263) = ( -0.3333333 0.1274139 0.0000000), wk = 0.0020661 k( 264) = ( -0.3484849 0.1332055 0.0000000), wk = 0.0020661 k( 265) = ( -0.3636364 0.1389970 0.0000000), wk = 0.0020661 k( 266) = ( -0.3787879 0.1447886 0.0000000), wk = 0.0020661 k( 267) = ( -0.3939394 0.1505801 0.0000000), wk = 0.0020661 k( 268) = ( -0.4090909 0.1563716 0.0000000), wk = 0.0020661 k( 269) = ( -0.4242424 0.1621632 0.0000000), wk = 0.0020661 k( 270) = ( -0.4393939 0.1679547 0.0000000), wk = 0.0020661 k( 271) = ( -0.4545455 0.1737463 0.0000000), wk = 0.0020661 k( 272) = ( -0.4696970 0.1795378 0.0000000), wk = 0.0020661 k( 273) = ( -0.4848485 0.1853294 0.0000000), wk = 0.0020661 k( 274) = ( -0.5000000 0.1911209 0.0000000), wk = 0.0020661 k( 275) = ( -0.5000000 0.1911209 0.0000000), wk = 0.0020661 k( 276) = ( -0.4942305 0.2062149 -0.0000000), wk = 0.0020661 k( 277) = ( -0.4884609 0.2213088 -0.0000000), wk = 0.0020661 k( 278) = ( -0.4826914 0.2364027 -0.0000000), wk = 0.0020661 k( 279) = ( -0.4769219 0.2514967 -0.0000000), wk = 0.0020661 k( 280) = ( -0.4711523 0.2665906 -0.0000000), wk = 0.0020661 k( 281) = ( -0.4653828 0.2816845 -0.0000000), wk = 0.0020661 k( 282) = ( -0.4596132 0.2967785 -0.0000000), wk = 0.0020661 k( 283) = ( -0.4538437 0.3118724 -0.0000000), wk = 0.0020661 k( 284) = ( -0.4480742 0.3269664 -0.0000000), wk = 0.0020661 k( 285) = ( -0.4423047 0.3420603 -0.0000000), wk = 0.0020661 k( 286) = ( -0.4365351 0.3571543 -0.0000000), wk = 0.0020661 k( 287) = ( -0.4307656 0.3722482 -0.0000000), wk = 0.0020661 k( 288) = ( -0.4249960 0.3873421 -0.0000000), wk = 0.0020661 k( 289) = ( -0.4192265 0.4024361 -0.0000000), wk = 0.0020661 k( 290) = ( -0.4134570 0.4175300 -0.0000000), wk = 0.0020661 k( 291) = ( -0.4076874 0.4326239 -0.0000000), wk = 0.0020661 k( 292) = ( -0.4019179 0.4477179 -0.0000000), wk = 0.0020661 k( 293) = ( -0.3961484 0.4628118 -0.0000000), wk = 0.0020661 k( 294) = ( -0.3903788 0.4779058 -0.0000000), wk = 0.0020661 k( 295) = ( -0.3846093 0.4929997 -0.0000000), wk = 0.0020661 k( 296) = ( -0.3788398 0.5080937 -0.0000000), wk = 0.0020661 k( 297) = ( -0.3730702 0.5231876 -0.0000000), wk = 0.0020661 k( 298) = ( -0.3673007 0.5382815 -0.0000000), wk = 0.0020661 k( 299) = ( -0.3615312 0.5533755 -0.0000000), wk = 0.0020661 k( 300) = ( -0.3557616 0.5684694 -0.0000000), wk = 0.0020661 k( 301) = ( -0.3499921 0.5835634 -0.0000000), wk = 0.0020661 k( 302) = ( -0.3442226 0.5986573 -0.0000000), wk = 0.0020661 k( 303) = ( -0.3384530 0.6137513 -0.0000000), wk = 0.0020661 k( 304) = ( -0.3326835 0.6288452 -0.0000000), wk = 0.0020661 k( 305) = ( -0.3269139 0.6439391 -0.0000000), wk = 0.0020661 k( 306) = ( -0.3211444 0.6590331 -0.0000000), wk = 0.0020661 k( 307) = ( -0.3153749 0.6741270 -0.0000000), wk = 0.0020661 k( 308) = ( -0.3096053 0.6892210 -0.0000000), wk = 0.0020661 k( 309) = ( -0.3038358 0.7043149 -0.0000000), wk = 0.0020661 k( 310) = ( -0.2980663 0.7194088 -0.0000000), wk = 0.0020661 k( 311) = ( -0.2922967 0.7345028 -0.0000000), wk = 0.0020661 k( 312) = ( -0.2865272 0.7495967 -0.0000000), wk = 0.0020661 k( 313) = ( -0.2865272 0.7495967 -0.0000000), wk = 0.0020661 k( 314) = ( -0.2865272 0.7495967 0.0159721), wk = 0.0020661 k( 315) = ( -0.2865272 0.7495967 0.0319443), wk = 0.0020661 k( 316) = ( -0.2865272 0.7495967 0.0479164), wk = 0.0020661 k( 317) = ( -0.2865272 0.7495967 0.0638886), wk = 0.0020661 k( 318) = ( -0.2865272 0.7495967 0.0798608), wk = 0.0020661 k( 319) = ( -0.2865272 0.7495967 0.0958329), wk = 0.0020661 k( 320) = ( -0.2865272 0.7495967 0.1118050), wk = 0.0020661 k( 321) = ( -0.2865272 0.7495967 0.1277772), wk = 0.0020661 k( 322) = ( -0.2865272 0.7495967 0.1437493), wk = 0.0020661 k( 323) = ( -0.2865272 0.7495967 0.1597215), wk = 0.0020661 k( 324) = ( -0.2865272 0.7495967 0.1756937), wk = 0.0020661 k( 325) = ( -0.2865272 0.7495967 0.1916658), wk = 0.0020661 k( 326) = ( -0.2865272 0.7495967 0.2076379), wk = 0.0020661 k( 327) = ( -0.2865272 0.7495967 0.2236101), wk = 0.0020661 k( 328) = ( -0.2865272 0.7495967 0.2395822), wk = 0.0020661 k( 329) = ( -0.2865272 0.7495967 0.2555544), wk = 0.0020661 k( 330) = ( -0.2865272 0.7495967 0.2715266), wk = 0.0020661 k( 331) = ( -0.2865272 0.7495967 0.2874987), wk = 0.0020661 k( 332) = ( -0.2865272 0.7495967 0.3034708), wk = 0.0020661 k( 333) = ( -0.2865272 0.7495967 0.3194430), wk = 0.0020661 k( 334) = ( -0.2865272 0.7495967 0.3354151), wk = 0.0020661 k( 335) = ( -0.2865272 0.7495967 0.3513873), wk = 0.0020661 k( 336) = ( -0.2865272 0.7495967 0.3673595), wk = 0.0020661 k( 337) = ( -0.2865272 0.7495967 0.3833316), wk = 0.0020661 k( 338) = ( -0.2865272 0.7495967 0.3993037), wk = 0.0020661 k( 339) = ( -0.2865272 0.7495967 0.4152759), wk = 0.0020661 k( 340) = ( -0.2865272 0.7495967 0.4312480), wk = 0.0020661 k( 341) = ( -0.2865272 0.7495967 0.4472202), wk = 0.0020661 k( 342) = ( -0.2865272 0.7495967 0.4631924), wk = 0.0020661 k( 343) = ( -0.2865272 0.7495967 0.4791645), wk = 0.0020661 k( 344) = ( -0.2865272 0.7495967 0.4951367), wk = 0.0020661 k( 345) = ( -0.2865272 0.7495967 0.5111088), wk = 0.0020661 k( 346) = ( -0.2865272 0.7495967 0.5270809), wk = 0.0020661 k( 347) = ( -0.2865272 0.7495967 0.5430531), wk = 0.0020661 k( 348) = ( -0.2865272 0.7495967 0.5590253), wk = 0.0020661 k( 349) = ( -0.2865272 0.7495967 0.5749974), wk = 0.0020661 k( 350) = ( -0.2865272 0.7495967 0.5909696), wk = 0.0020661 k( 351) = ( -0.2865272 0.7495967 0.6069417), wk = 0.0020661 k( 352) = ( -0.2865272 0.7495967 0.6229138), wk = 0.0020661 k( 353) = ( -0.2865272 0.7495967 0.6388860), wk = 0.0020661 k( 354) = ( -0.2865272 0.7495967 0.6548582), wk = 0.0020661 k( 355) = ( -0.2865272 0.7495967 0.6708303), wk = 0.0020661 k( 356) = ( -0.2865272 0.7495967 0.6868025), wk = 0.0020661 k( 357) = ( -0.2865272 0.7495967 0.7027746), wk = 0.0020661 k( 358) = ( -0.2865272 0.7495967 0.7187467), wk = 0.0020661 k( 359) = ( -0.2865272 0.7495967 0.7347189), wk = 0.0020661 k( 360) = ( -0.2865272 0.7495967 0.7506911), wk = 0.0020661 k( 361) = ( -0.2865272 0.7495967 0.7666632), wk = 0.0020661 k( 362) = ( -0.2865272 0.7495967 0.7826354), wk = 0.0020661 k( 363) = ( -0.2865272 0.7495967 0.7826354), wk = 0.0020661 k( 364) = ( -0.2922967 0.7345028 0.7826354), wk = 0.0020661 k( 365) = ( -0.2980663 0.7194088 0.7826354), wk = 0.0020661 k( 366) = ( -0.3038358 0.7043149 0.7826354), wk = 0.0020661 k( 367) = ( -0.3096053 0.6892210 0.7826354), wk = 0.0020661 k( 368) = ( -0.3153749 0.6741270 0.7826354), wk = 0.0020661 k( 369) = ( -0.3211444 0.6590331 0.7826354), wk = 0.0020661 k( 370) = ( -0.3269139 0.6439391 0.7826354), wk = 0.0020661 k( 371) = ( -0.3326835 0.6288452 0.7826354), wk = 0.0020661 k( 372) = ( -0.3384530 0.6137513 0.7826354), wk = 0.0020661 k( 373) = ( -0.3442226 0.5986573 0.7826354), wk = 0.0020661 k( 374) = ( -0.3499921 0.5835634 0.7826354), wk = 0.0020661 k( 375) = ( -0.3557616 0.5684694 0.7826354), wk = 0.0020661 k( 376) = ( -0.3615312 0.5533755 0.7826354), wk = 0.0020661 k( 377) = ( -0.3673007 0.5382815 0.7826354), wk = 0.0020661 k( 378) = ( -0.3730702 0.5231876 0.7826354), wk = 0.0020661 k( 379) = ( -0.3788398 0.5080937 0.7826354), wk = 0.0020661 k( 380) = ( -0.3846093 0.4929997 0.7826354), wk = 0.0020661 k( 381) = ( -0.3903788 0.4779058 0.7826354), wk = 0.0020661 k( 382) = ( -0.3961484 0.4628118 0.7826354), wk = 0.0020661 k( 383) = ( -0.4019179 0.4477179 0.7826354), wk = 0.0020661 k( 384) = ( -0.4076874 0.4326239 0.7826354), wk = 0.0020661 k( 385) = ( -0.4134570 0.4175300 0.7826354), wk = 0.0020661 k( 386) = ( -0.4192265 0.4024361 0.7826354), wk = 0.0020661 k( 387) = ( -0.4249960 0.3873421 0.7826354), wk = 0.0020661 k( 388) = ( -0.4307656 0.3722482 0.7826354), wk = 0.0020661 k( 389) = ( -0.4365351 0.3571543 0.7826354), wk = 0.0020661 k( 390) = ( -0.4423047 0.3420603 0.7826354), wk = 0.0020661 k( 391) = ( -0.4480742 0.3269664 0.7826354), wk = 0.0020661 k( 392) = ( -0.4538437 0.3118724 0.7826354), wk = 0.0020661 k( 393) = ( -0.4596132 0.2967785 0.7826354), wk = 0.0020661 k( 394) = ( -0.4653828 0.2816845 0.7826354), wk = 0.0020661 k( 395) = ( -0.4711523 0.2665906 0.7826354), wk = 0.0020661 k( 396) = ( -0.4769219 0.2514967 0.7826354), wk = 0.0020661 k( 397) = ( -0.4826914 0.2364027 0.7826354), wk = 0.0020661 k( 398) = ( -0.4884609 0.2213088 0.7826354), wk = 0.0020661 k( 399) = ( -0.4942305 0.2062149 0.7826354), wk = 0.0020661 k( 400) = ( -0.5000000 0.1911209 0.7826354), wk = 0.0020661 k( 401) = ( -0.5000000 0.1911209 0.7826354), wk = 0.0020661 k( 402) = ( -0.5000000 0.1911209 0.7666632), wk = 0.0020661 k( 403) = ( -0.5000000 0.1911209 0.7506911), wk = 0.0020661 k( 404) = ( -0.5000000 0.1911209 0.7347189), wk = 0.0020661 k( 405) = ( -0.5000000 0.1911209 0.7187467), wk = 0.0020661 k( 406) = ( -0.5000000 0.1911209 0.7027746), wk = 0.0020661 k( 407) = ( -0.5000000 0.1911209 0.6868025), wk = 0.0020661 k( 408) = ( -0.5000000 0.1911209 0.6708303), wk = 0.0020661 k( 409) = ( -0.5000000 0.1911209 0.6548582), wk = 0.0020661 k( 410) = ( -0.5000000 0.1911209 0.6388860), wk = 0.0020661 k( 411) = ( -0.5000000 0.1911209 0.6229138), wk = 0.0020661 k( 412) = ( -0.5000000 0.1911209 0.6069417), wk = 0.0020661 k( 413) = ( -0.5000000 0.1911209 0.5909696), wk = 0.0020661 k( 414) = ( -0.5000000 0.1911209 0.5749974), wk = 0.0020661 k( 415) = ( -0.5000000 0.1911209 0.5590253), wk = 0.0020661 k( 416) = ( -0.5000000 0.1911209 0.5430531), wk = 0.0020661 k( 417) = ( -0.5000000 0.1911209 0.5270809), wk = 0.0020661 k( 418) = ( -0.5000000 0.1911209 0.5111088), wk = 0.0020661 k( 419) = ( -0.5000000 0.1911209 0.4951367), wk = 0.0020661 k( 420) = ( -0.5000000 0.1911209 0.4791645), wk = 0.0020661 k( 421) = ( -0.5000000 0.1911209 0.4631924), wk = 0.0020661 k( 422) = ( -0.5000000 0.1911209 0.4472202), wk = 0.0020661 k( 423) = ( -0.5000000 0.1911209 0.4312480), wk = 0.0020661 k( 424) = ( -0.5000000 0.1911209 0.4152759), wk = 0.0020661 k( 425) = ( -0.5000000 0.1911209 0.3993037), wk = 0.0020661 k( 426) = ( -0.5000000 0.1911209 0.3833316), wk = 0.0020661 k( 427) = ( -0.5000000 0.1911209 0.3673595), wk = 0.0020661 k( 428) = ( -0.5000000 0.1911209 0.3513873), wk = 0.0020661 k( 429) = ( -0.5000000 0.1911209 0.3354151), wk = 0.0020661 k( 430) = ( -0.5000000 0.1911209 0.3194430), wk = 0.0020661 k( 431) = ( -0.5000000 0.1911209 0.3034708), wk = 0.0020661 k( 432) = ( -0.5000000 0.1911209 0.2874987), wk = 0.0020661 k( 433) = ( -0.5000000 0.1911209 0.2715266), wk = 0.0020661 k( 434) = ( -0.5000000 0.1911209 0.2555544), wk = 0.0020661 k( 435) = ( -0.5000000 0.1911209 0.2395822), wk = 0.0020661 k( 436) = ( -0.5000000 0.1911209 0.2236101), wk = 0.0020661 k( 437) = ( -0.5000000 0.1911209 0.2076379), wk = 0.0020661 k( 438) = ( -0.5000000 0.1911209 0.1916658), wk = 0.0020661 k( 439) = ( -0.5000000 0.1911209 0.1756937), wk = 0.0020661 k( 440) = ( -0.5000000 0.1911209 0.1597215), wk = 0.0020661 k( 441) = ( -0.5000000 0.1911209 0.1437493), wk = 0.0020661 k( 442) = ( -0.5000000 0.1911209 0.1277772), wk = 0.0020661 k( 443) = ( -0.5000000 0.1911209 0.1118050), wk = 0.0020661 k( 444) = ( -0.5000000 0.1911209 0.0958329), wk = 0.0020661 k( 445) = ( -0.5000000 0.1911209 0.0798608), wk = 0.0020661 k( 446) = ( -0.5000000 0.1911209 0.0638886), wk = 0.0020661 k( 447) = ( -0.5000000 0.1911209 0.0479164), wk = 0.0020661 k( 448) = ( -0.5000000 0.1911209 0.0319443), wk = 0.0020661 k( 449) = ( -0.5000000 0.1911209 0.0159721), wk = 0.0020661 k( 450) = ( -0.5000000 0.1911209 0.0000000), wk = 0.0020661 k( 451) = ( 0.0000000 0.0000000 0.7826354), wk = 0.0020661 k( 452) = ( -0.0151515 0.0057915 0.7826354), wk = 0.0020661 k( 453) = ( -0.0303030 0.0115831 0.7826354), wk = 0.0020661 k( 454) = ( -0.0454546 0.0173746 0.7826354), wk = 0.0020661 k( 455) = ( -0.0606061 0.0231662 0.7826354), wk = 0.0020661 k( 456) = ( -0.0757576 0.0289577 0.7826354), wk = 0.0020661 k( 457) = ( -0.0909091 0.0347493 0.7826354), wk = 0.0020661 k( 458) = ( -0.1060606 0.0405408 0.7826354), wk = 0.0020661 k( 459) = ( -0.1212121 0.0463323 0.7826354), wk = 0.0020661 k( 460) = ( -0.1363636 0.0521239 0.7826354), wk = 0.0020661 k( 461) = ( -0.1515151 0.0579154 0.7826354), wk = 0.0020661 k( 462) = ( -0.1666667 0.0637070 0.7826354), wk = 0.0020661 k( 463) = ( -0.1818182 0.0694985 0.7826354), wk = 0.0020661 k( 464) = ( -0.1969697 0.0752901 0.7826354), wk = 0.0020661 k( 465) = ( -0.2121212 0.0810816 0.7826354), wk = 0.0020661 k( 466) = ( -0.2272727 0.0868731 0.7826354), wk = 0.0020661 k( 467) = ( -0.2424242 0.0926647 0.7826354), wk = 0.0020661 k( 468) = ( -0.2575758 0.0984562 0.7826354), wk = 0.0020661 k( 469) = ( -0.2727273 0.1042478 0.7826354), wk = 0.0020661 k( 470) = ( -0.2878788 0.1100393 0.7826354), wk = 0.0020661 k( 471) = ( -0.3030303 0.1158308 0.7826354), wk = 0.0020661 k( 472) = ( -0.3181818 0.1216224 0.7826354), wk = 0.0020661 k( 473) = ( -0.3333333 0.1274139 0.7826354), wk = 0.0020661 k( 474) = ( -0.3484849 0.1332055 0.7826354), wk = 0.0020661 k( 475) = ( -0.3636364 0.1389970 0.7826354), wk = 0.0020661 k( 476) = ( -0.3787879 0.1447886 0.7826354), wk = 0.0020661 k( 477) = ( -0.3939394 0.1505801 0.7826354), wk = 0.0020661 k( 478) = ( -0.4090909 0.1563716 0.7826354), wk = 0.0020661 k( 479) = ( -0.4242424 0.1621632 0.7826354), wk = 0.0020661 k( 480) = ( -0.4393939 0.1679547 0.7826354), wk = 0.0020661 k( 481) = ( -0.4545455 0.1737463 0.7826354), wk = 0.0020661 k( 482) = ( -0.4696970 0.1795378 0.7826354), wk = 0.0020661 k( 483) = ( -0.4848485 0.1853294 0.7826354), wk = 0.0020661 k( 484) = ( -0.5000000 0.1911209 0.7826354), wk = 0.0020661 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 2) = ( 0.0057305 0.0057305 0.0000000), wk = 0.0020661 k( 3) = ( 0.0114611 0.0114611 -0.0000000), wk = 0.0020661 k( 4) = ( 0.0171916 0.0171916 0.0000000), wk = 0.0020661 k( 5) = ( 0.0229222 0.0229222 -0.0000000), wk = 0.0020661 k( 6) = ( 0.0286527 0.0286527 0.0000000), wk = 0.0020661 k( 7) = ( 0.0343833 0.0343833 0.0000000), wk = 0.0020661 k( 8) = ( 0.0401138 0.0401138 -0.0000000), wk = 0.0020661 k( 9) = ( 0.0458443 0.0458444 0.0000000), wk = 0.0020661 k( 10) = ( 0.0515749 0.0515749 -0.0000000), wk = 0.0020661 k( 11) = ( 0.0573054 0.0573054 0.0000000), wk = 0.0020661 k( 12) = ( 0.0630360 0.0630360 -0.0000000), wk = 0.0020661 k( 13) = ( 0.0687665 0.0687665 0.0000000), wk = 0.0020661 k( 14) = ( 0.0744971 0.0744971 -0.0000000), wk = 0.0020661 k( 15) = ( 0.0802276 0.0802276 -0.0000000), wk = 0.0020661 k( 16) = ( 0.0859582 0.0859582 0.0000000), wk = 0.0020661 k( 17) = ( 0.0916887 0.0916887 0.0000000), wk = 0.0020661 k( 18) = ( 0.0974192 0.0974193 -0.0000000), wk = 0.0020661 k( 19) = ( 0.1031498 0.1031498 -0.0000000), wk = 0.0020661 k( 20) = ( 0.1088803 0.1088803 0.0000000), wk = 0.0020661 k( 21) = ( 0.1146109 0.1146109 0.0000000), wk = 0.0020661 k( 22) = ( 0.1203414 0.1203414 0.0000000), wk = 0.0020661 k( 23) = ( 0.1260720 0.1260720 -0.0000000), wk = 0.0020661 k( 24) = ( 0.1318025 0.1318025 -0.0000000), wk = 0.0020661 k( 25) = ( 0.1375330 0.1375330 -0.0000000), wk = 0.0020661 k( 26) = ( 0.1432636 0.1432636 0.0000000), wk = 0.0020661 k( 27) = ( 0.1489941 0.1489941 -0.0000000), wk = 0.0020661 k( 28) = ( 0.1547247 0.1547247 0.0000000), wk = 0.0020661 k( 29) = ( 0.1604552 0.1604552 -0.0000000), wk = 0.0020661 k( 30) = ( 0.1661858 0.1661858 0.0000000), wk = 0.0020661 k( 31) = ( 0.1719163 0.1719163 0.0000000), wk = 0.0020661 k( 32) = ( 0.1776469 0.1776469 0.0000000), wk = 0.0020661 k( 33) = ( 0.1833774 0.1833774 0.0000000), wk = 0.0020661 k( 34) = ( 0.1891079 0.1891080 0.0000000), wk = 0.0020661 k( 35) = ( 0.1948385 0.1948385 -0.0000000), wk = 0.0020661 k( 36) = ( 0.2005690 0.2005690 -0.0000000), wk = 0.0020661 k( 37) = ( 0.2062996 0.2062996 -0.0000000), wk = 0.0020661 k( 38) = ( 0.2120301 0.2120301 0.0000000), wk = 0.0020661 k( 39) = ( 0.2177607 0.2177607 -0.0000000), wk = 0.0020661 k( 40) = ( 0.2234912 0.2234912 0.0000000), wk = 0.0020661 k( 41) = ( 0.2292218 0.2292218 0.0000000), wk = 0.0020661 k( 42) = ( 0.2349523 0.2349523 -0.0000000), wk = 0.0020661 k( 43) = ( 0.2406829 0.2406829 0.0000000), wk = 0.0020661 k( 44) = ( 0.2464134 0.2464134 0.0000000), wk = 0.0020661 k( 45) = ( 0.2521439 0.2521439 0.0000000), wk = 0.0020661 k( 46) = ( 0.2578745 0.2578745 0.0000000), wk = 0.0020661 k( 47) = ( 0.2636050 0.2636050 -0.0000000), wk = 0.0020661 k( 48) = ( 0.2693356 0.2693356 0.0000000), wk = 0.0020661 k( 49) = ( 0.2750661 0.2750661 0.0000000), wk = 0.0020661 k( 50) = ( 0.2807966 0.2807966 -0.0000000), wk = 0.0020661 k( 51) = ( 0.2865272 0.2865272 0.0000000), wk = 0.0020661 k( 52) = ( 0.2865272 0.2865272 0.0000000), wk = 0.0020661 k( 53) = ( 0.2706090 0.2983868 -0.0000000), wk = 0.0020661 k( 54) = ( 0.2546908 0.3102464 0.0000000), wk = 0.0020661 k( 55) = ( 0.2387727 0.3221060 0.0000000), wk = 0.0020661 k( 56) = ( 0.2228545 0.3339656 0.0000000), wk = 0.0020661 k( 57) = ( 0.2069363 0.3458252 -0.0000000), wk = 0.0020661 k( 58) = ( 0.1910181 0.3576848 0.0000000), wk = 0.0020661 k( 59) = ( 0.1751000 0.3695444 0.0000000), wk = 0.0020661 k( 60) = ( 0.1591818 0.3814040 -0.0000000), wk = 0.0020661 k( 61) = ( 0.1432636 0.3932636 0.0000000), wk = 0.0020661 k( 62) = ( 0.1273454 0.4051232 0.0000000), wk = 0.0020661 k( 63) = ( 0.1114272 0.4169828 0.0000000), wk = 0.0020661 k( 64) = ( 0.0955091 0.4288424 0.0000000), wk = 0.0020661 k( 65) = ( 0.0795909 0.4407020 0.0000000), wk = 0.0020661 k( 66) = ( 0.0636727 0.4525616 0.0000000), wk = 0.0020661 k( 67) = ( 0.0477545 0.4644212 -0.0000000), wk = 0.0020661 k( 68) = ( 0.0318364 0.4762808 -0.0000000), wk = 0.0020661 k( 69) = ( 0.0159182 0.4881404 0.0000000), wk = 0.0020661 k( 70) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 71) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020661 k( 72) = ( 0.0000000 0.5000000 0.0102041), wk = 0.0020661 k( 73) = ( 0.0000000 0.5000000 0.0204082), wk = 0.0020661 k( 74) = ( 0.0000000 0.5000000 0.0306122), wk = 0.0020661 k( 75) = ( 0.0000000 0.5000000 0.0408163), wk = 0.0020661 k( 76) = ( 0.0000000 0.5000000 0.0510204), wk = 0.0020661 k( 77) = ( 0.0000000 0.5000000 0.0612245), wk = 0.0020661 k( 78) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020661 k( 79) = ( 0.0000000 0.5000000 0.0816327), wk = 0.0020661 k( 80) = ( 0.0000000 0.5000000 0.0918367), wk = 0.0020661 k( 81) = ( 0.0000000 0.5000000 0.1020408), wk = 0.0020661 k( 82) = ( 0.0000000 0.5000000 0.1122449), wk = 0.0020661 k( 83) = ( 0.0000000 0.5000000 0.1224490), wk = 0.0020661 k( 84) = ( 0.0000000 0.5000000 0.1326531), wk = 0.0020661 k( 85) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020661 k( 86) = ( 0.0000000 0.5000000 0.1530612), wk = 0.0020661 k( 87) = ( 0.0000000 0.5000000 0.1632653), wk = 0.0020661 k( 88) = ( 0.0000000 0.5000000 0.1734694), wk = 0.0020661 k( 89) = ( 0.0000000 0.5000000 0.1836735), wk = 0.0020661 k( 90) = ( 0.0000000 0.5000000 0.1938776), wk = 0.0020661 k( 91) = ( 0.0000000 0.5000000 0.2040816), wk = 0.0020661 k( 92) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020661 k( 93) = ( 0.0000000 0.5000000 0.2244898), wk = 0.0020661 k( 94) = ( 0.0000000 0.5000000 0.2346939), wk = 0.0020661 k( 95) = ( 0.0000000 0.5000000 0.2448980), wk = 0.0020661 k( 96) = ( 0.0000000 0.5000000 0.2551020), wk = 0.0020661 k( 97) = ( 0.0000000 0.5000000 0.2653061), wk = 0.0020661 k( 98) = ( 0.0000000 0.5000000 0.2755102), wk = 0.0020661 k( 99) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020661 k( 100) = ( 0.0000000 0.5000000 0.2959184), wk = 0.0020661 k( 101) = ( 0.0000000 0.5000000 0.3061224), wk = 0.0020661 k( 102) = ( 0.0000000 0.5000000 0.3163265), wk = 0.0020661 k( 103) = ( 0.0000000 0.5000000 0.3265306), wk = 0.0020661 k( 104) = ( 0.0000000 0.5000000 0.3367347), wk = 0.0020661 k( 105) = ( 0.0000000 0.5000000 0.3469388), wk = 0.0020661 k( 106) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020661 k( 107) = ( 0.0000000 0.5000000 0.3673469), wk = 0.0020661 k( 108) = ( 0.0000000 0.5000000 0.3775510), wk = 0.0020661 k( 109) = ( 0.0000000 0.5000000 0.3877551), wk = 0.0020661 k( 110) = ( 0.0000000 0.5000000 0.3979592), wk = 0.0020661 k( 111) = ( 0.0000000 0.5000000 0.4081633), wk = 0.0020661 k( 112) = ( 0.0000000 0.5000000 0.4183674), wk = 0.0020661 k( 113) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020661 k( 114) = ( 0.0000000 0.5000000 0.4387755), wk = 0.0020661 k( 115) = ( 0.0000000 0.5000000 0.4489796), wk = 0.0020661 k( 116) = ( 0.0000000 0.5000000 0.4591837), wk = 0.0020661 k( 117) = ( 0.0000000 0.5000000 0.4693878), wk = 0.0020661 k( 118) = ( 0.0000000 0.5000000 0.4795918), wk = 0.0020661 k( 119) = ( 0.0000000 0.5000000 0.4897959), wk = 0.0020661 k( 120) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 121) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020661 k( 122) = ( 0.0159182 0.4881404 0.5000000), wk = 0.0020661 k( 123) = ( 0.0318364 0.4762808 0.5000000), wk = 0.0020661 k( 124) = ( 0.0477545 0.4644212 0.5000000), wk = 0.0020661 k( 125) = ( 0.0636727 0.4525616 0.5000000), wk = 0.0020661 k( 126) = ( 0.0795909 0.4407020 0.5000000), wk = 0.0020661 k( 127) = ( 0.0955091 0.4288424 0.5000000), wk = 0.0020661 k( 128) = ( 0.1114272 0.4169828 0.5000000), wk = 0.0020661 k( 129) = ( 0.1273454 0.4051232 0.5000000), wk = 0.0020661 k( 130) = ( 0.1432636 0.3932636 0.5000000), wk = 0.0020661 k( 131) = ( 0.1591818 0.3814040 0.5000000), wk = 0.0020661 k( 132) = ( 0.1751000 0.3695444 0.5000000), wk = 0.0020661 k( 133) = ( 0.1910181 0.3576848 0.5000000), wk = 0.0020661 k( 134) = ( 0.2069363 0.3458252 0.5000000), wk = 0.0020661 k( 135) = ( 0.2228545 0.3339656 0.5000000), wk = 0.0020661 k( 136) = ( 0.2387727 0.3221060 0.5000000), wk = 0.0020661 k( 137) = ( 0.2546908 0.3102464 0.5000000), wk = 0.0020661 k( 138) = ( 0.2706090 0.2983868 0.5000000), wk = 0.0020661 k( 139) = ( 0.2865272 0.2865272 0.5000000), wk = 0.0020661 k( 140) = ( 0.2865272 0.2865272 0.5000000), wk = 0.0020661 k( 141) = ( 0.2807966 0.2807966 0.5000000), wk = 0.0020661 k( 142) = ( 0.2750661 0.2750661 0.5000000), wk = 0.0020661 k( 143) = ( 0.2693356 0.2693356 0.5000000), wk = 0.0020661 k( 144) = ( 0.2636050 0.2636050 0.5000000), wk = 0.0020661 k( 145) = ( 0.2578745 0.2578745 0.5000000), wk = 0.0020661 k( 146) = ( 0.2521439 0.2521439 0.5000000), wk = 0.0020661 k( 147) = ( 0.2464134 0.2464134 0.5000000), wk = 0.0020661 k( 148) = ( 0.2406829 0.2406829 0.5000000), wk = 0.0020661 k( 149) = ( 0.2349523 0.2349523 0.5000000), wk = 0.0020661 k( 150) = ( 0.2292218 0.2292218 0.5000000), wk = 0.0020661 k( 151) = ( 0.2234912 0.2234912 0.5000000), wk = 0.0020661 k( 152) = ( 0.2177607 0.2177607 0.5000000), wk = 0.0020661 k( 153) = ( 0.2120301 0.2120301 0.5000000), wk = 0.0020661 k( 154) = ( 0.2062996 0.2062996 0.5000000), wk = 0.0020661 k( 155) = ( 0.2005690 0.2005690 0.5000000), wk = 0.0020661 k( 156) = ( 0.1948385 0.1948385 0.5000000), wk = 0.0020661 k( 157) = ( 0.1891079 0.1891080 0.5000000), wk = 0.0020661 k( 158) = ( 0.1833774 0.1833774 0.5000000), wk = 0.0020661 k( 159) = ( 0.1776469 0.1776469 0.5000000), wk = 0.0020661 k( 160) = ( 0.1719163 0.1719163 0.5000000), wk = 0.0020661 k( 161) = ( 0.1661858 0.1661858 0.5000000), wk = 0.0020661 k( 162) = ( 0.1604552 0.1604552 0.5000000), wk = 0.0020661 k( 163) = ( 0.1547247 0.1547247 0.5000000), wk = 0.0020661 k( 164) = ( 0.1489941 0.1489941 0.5000000), wk = 0.0020661 k( 165) = ( 0.1432636 0.1432636 0.5000000), wk = 0.0020661 k( 166) = ( 0.1375330 0.1375330 0.5000000), wk = 0.0020661 k( 167) = ( 0.1318025 0.1318025 0.5000000), wk = 0.0020661 k( 168) = ( 0.1260720 0.1260720 0.5000000), wk = 0.0020661 k( 169) = ( 0.1203414 0.1203414 0.5000000), wk = 0.0020661 k( 170) = ( 0.1146109 0.1146109 0.5000000), wk = 0.0020661 k( 171) = ( 0.1088803 0.1088803 0.5000000), wk = 0.0020661 k( 172) = ( 0.1031498 0.1031498 0.5000000), wk = 0.0020661 k( 173) = ( 0.0974192 0.0974193 0.5000000), wk = 0.0020661 k( 174) = ( 0.0916887 0.0916887 0.5000000), wk = 0.0020661 k( 175) = ( 0.0859582 0.0859582 0.5000000), wk = 0.0020661 k( 176) = ( 0.0802276 0.0802276 0.5000000), wk = 0.0020661 k( 177) = ( 0.0744971 0.0744971 0.5000000), wk = 0.0020661 k( 178) = ( 0.0687665 0.0687665 0.5000000), wk = 0.0020661 k( 179) = ( 0.0630360 0.0630360 0.5000000), wk = 0.0020661 k( 180) = ( 0.0573054 0.0573054 0.5000000), wk = 0.0020661 k( 181) = ( 0.0515749 0.0515749 0.5000000), wk = 0.0020661 k( 182) = ( 0.0458443 0.0458444 0.5000000), wk = 0.0020661 k( 183) = ( 0.0401138 0.0401138 0.5000000), wk = 0.0020661 k( 184) = ( 0.0343833 0.0343833 0.5000000), wk = 0.0020661 k( 185) = ( 0.0286527 0.0286527 0.5000000), wk = 0.0020661 k( 186) = ( 0.0229222 0.0229222 0.5000000), wk = 0.0020661 k( 187) = ( 0.0171916 0.0171916 0.5000000), wk = 0.0020661 k( 188) = ( 0.0114611 0.0114611 0.5000000), wk = 0.0020661 k( 189) = ( 0.0057305 0.0057305 0.5000000), wk = 0.0020661 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 192) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0020661 k( 193) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0020661 k( 194) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0020661 k( 195) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0020661 k( 196) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0020661 k( 197) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0020661 k( 198) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020661 k( 199) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0020661 k( 200) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0020661 k( 201) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0020661 k( 202) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0020661 k( 203) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0020661 k( 204) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0020661 k( 205) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020661 k( 206) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0020661 k( 207) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0020661 k( 208) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0020661 k( 209) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0020661 k( 210) = ( 0.0000000 0.0000000 0.3061224), wk = 0.0020661 k( 211) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0020661 k( 212) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020661 k( 213) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0020661 k( 214) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0020661 k( 215) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0020661 k( 216) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0020661 k( 217) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0020661 k( 218) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0020661 k( 219) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020661 k( 220) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0020661 k( 221) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0020661 k( 222) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0020661 k( 223) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0020661 k( 224) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0020661 k( 225) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0020661 k( 226) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020661 k( 227) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0020661 k( 228) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0020661 k( 229) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0020661 k( 230) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0020661 k( 231) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0020661 k( 232) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0020661 k( 233) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020661 k( 234) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0020661 k( 235) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0020661 k( 236) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0020661 k( 237) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0020661 k( 238) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0020661 k( 239) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0020661 k( 240) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 241) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020661 k( 242) = ( -0.0151515 0.0151515 0.0000000), wk = 0.0020661 k( 243) = ( -0.0303030 0.0303030 0.0000000), wk = 0.0020661 k( 244) = ( -0.0454546 0.0454546 -0.0000000), wk = 0.0020661 k( 245) = ( -0.0606061 0.0606061 0.0000000), wk = 0.0020661 k( 246) = ( -0.0757576 0.0757576 -0.0000000), wk = 0.0020661 k( 247) = ( -0.0909091 0.0909091 0.0000000), wk = 0.0020661 k( 248) = ( -0.1060606 0.1060606 -0.0000000), wk = 0.0020661 k( 249) = ( -0.1212121 0.1212121 0.0000000), wk = 0.0020661 k( 250) = ( -0.1363636 0.1363636 -0.0000000), wk = 0.0020661 k( 251) = ( -0.1515151 0.1515151 0.0000000), wk = 0.0020661 k( 252) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0020661 k( 253) = ( -0.1818182 0.1818182 0.0000000), wk = 0.0020661 k( 254) = ( -0.1969697 0.1969697 0.0000000), wk = 0.0020661 k( 255) = ( -0.2121212 0.2121212 0.0000000), wk = 0.0020661 k( 256) = ( -0.2272727 0.2272727 0.0000000), wk = 0.0020661 k( 257) = ( -0.2424242 0.2424242 0.0000000), wk = 0.0020661 k( 258) = ( -0.2575758 0.2575758 -0.0000000), wk = 0.0020661 k( 259) = ( -0.2727273 0.2727273 0.0000000), wk = 0.0020661 k( 260) = ( -0.2878788 0.2878788 0.0000000), wk = 0.0020661 k( 261) = ( -0.3030303 0.3030303 0.0000000), wk = 0.0020661 k( 262) = ( -0.3181818 0.3181818 0.0000000), wk = 0.0020661 k( 263) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0020661 k( 264) = ( -0.3484849 0.3484849 0.0000000), wk = 0.0020661 k( 265) = ( -0.3636364 0.3636364 0.0000000), wk = 0.0020661 k( 266) = ( -0.3787879 0.3787879 0.0000000), wk = 0.0020661 k( 267) = ( -0.3939394 0.3939394 0.0000000), wk = 0.0020661 k( 268) = ( -0.4090909 0.4090909 -0.0000000), wk = 0.0020661 k( 269) = ( -0.4242424 0.4242424 0.0000000), wk = 0.0020661 k( 270) = ( -0.4393939 0.4393939 0.0000000), wk = 0.0020661 k( 271) = ( -0.4545455 0.4545455 0.0000000), wk = 0.0020661 k( 272) = ( -0.4696970 0.4696970 -0.0000000), wk = 0.0020661 k( 273) = ( -0.4848485 0.4848485 0.0000000), wk = 0.0020661 k( 274) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 275) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 276) = ( -0.4942305 0.5057695 0.0000000), wk = 0.0020661 k( 277) = ( -0.4884609 0.5115391 0.0000000), wk = 0.0020661 k( 278) = ( -0.4826914 0.5173086 0.0000000), wk = 0.0020661 k( 279) = ( -0.4769219 0.5230781 -0.0000000), wk = 0.0020661 k( 280) = ( -0.4711523 0.5288477 0.0000000), wk = 0.0020661 k( 281) = ( -0.4653828 0.5346172 0.0000000), wk = 0.0020661 k( 282) = ( -0.4596132 0.5403868 0.0000000), wk = 0.0020661 k( 283) = ( -0.4538437 0.5461563 0.0000000), wk = 0.0020661 k( 284) = ( -0.4480742 0.5519258 -0.0000000), wk = 0.0020661 k( 285) = ( -0.4423047 0.5576954 -0.0000000), wk = 0.0020661 k( 286) = ( -0.4365351 0.5634649 0.0000000), wk = 0.0020661 k( 287) = ( -0.4307656 0.5692344 0.0000000), wk = 0.0020661 k( 288) = ( -0.4249960 0.5750040 0.0000000), wk = 0.0020661 k( 289) = ( -0.4192265 0.5807735 0.0000000), wk = 0.0020661 k( 290) = ( -0.4134570 0.5865430 -0.0000000), wk = 0.0020661 k( 291) = ( -0.4076874 0.5923126 0.0000000), wk = 0.0020661 k( 292) = ( -0.4019179 0.5980821 -0.0000000), wk = 0.0020661 k( 293) = ( -0.3961484 0.6038516 -0.0000000), wk = 0.0020661 k( 294) = ( -0.3903788 0.6096212 0.0000000), wk = 0.0020661 k( 295) = ( -0.3846093 0.6153907 0.0000000), wk = 0.0020661 k( 296) = ( -0.3788398 0.6211602 0.0000000), wk = 0.0020661 k( 297) = ( -0.3730702 0.6269298 0.0000000), wk = 0.0020661 k( 298) = ( -0.3673007 0.6326993 0.0000000), wk = 0.0020661 k( 299) = ( -0.3615312 0.6384688 0.0000000), wk = 0.0020661 k( 300) = ( -0.3557616 0.6442384 0.0000000), wk = 0.0020661 k( 301) = ( -0.3499921 0.6500079 -0.0000000), wk = 0.0020661 k( 302) = ( -0.3442226 0.6557775 0.0000000), wk = 0.0020661 k( 303) = ( -0.3384530 0.6615470 0.0000000), wk = 0.0020661 k( 304) = ( -0.3326835 0.6673165 0.0000000), wk = 0.0020661 k( 305) = ( -0.3269139 0.6730861 0.0000000), wk = 0.0020661 k( 306) = ( -0.3211444 0.6788556 0.0000000), wk = 0.0020661 k( 307) = ( -0.3153749 0.6846251 0.0000000), wk = 0.0020661 k( 308) = ( -0.3096053 0.6903947 0.0000000), wk = 0.0020661 k( 309) = ( -0.3038358 0.6961642 0.0000000), wk = 0.0020661 k( 310) = ( -0.2980663 0.7019337 0.0000000), wk = 0.0020661 k( 311) = ( -0.2922967 0.7077033 -0.0000000), wk = 0.0020661 k( 312) = ( -0.2865272 0.7134728 -0.0000000), wk = 0.0020661 k( 313) = ( -0.2865272 0.7134728 -0.0000000), wk = 0.0020661 k( 314) = ( -0.2865272 0.7134728 0.0102041), wk = 0.0020661 k( 315) = ( -0.2865272 0.7134728 0.0204082), wk = 0.0020661 k( 316) = ( -0.2865272 0.7134728 0.0306122), wk = 0.0020661 k( 317) = ( -0.2865272 0.7134728 0.0408163), wk = 0.0020661 k( 318) = ( -0.2865272 0.7134728 0.0510204), wk = 0.0020661 k( 319) = ( -0.2865272 0.7134728 0.0612245), wk = 0.0020661 k( 320) = ( -0.2865272 0.7134728 0.0714286), wk = 0.0020661 k( 321) = ( -0.2865272 0.7134728 0.0816327), wk = 0.0020661 k( 322) = ( -0.2865272 0.7134728 0.0918367), wk = 0.0020661 k( 323) = ( -0.2865272 0.7134728 0.1020408), wk = 0.0020661 k( 324) = ( -0.2865272 0.7134728 0.1122449), wk = 0.0020661 k( 325) = ( -0.2865272 0.7134728 0.1224490), wk = 0.0020661 k( 326) = ( -0.2865272 0.7134728 0.1326531), wk = 0.0020661 k( 327) = ( -0.2865272 0.7134728 0.1428571), wk = 0.0020661 k( 328) = ( -0.2865272 0.7134728 0.1530612), wk = 0.0020661 k( 329) = ( -0.2865272 0.7134728 0.1632653), wk = 0.0020661 k( 330) = ( -0.2865272 0.7134728 0.1734694), wk = 0.0020661 k( 331) = ( -0.2865272 0.7134728 0.1836735), wk = 0.0020661 k( 332) = ( -0.2865272 0.7134728 0.1938776), wk = 0.0020661 k( 333) = ( -0.2865272 0.7134728 0.2040816), wk = 0.0020661 k( 334) = ( -0.2865272 0.7134728 0.2142857), wk = 0.0020661 k( 335) = ( -0.2865272 0.7134728 0.2244898), wk = 0.0020661 k( 336) = ( -0.2865272 0.7134728 0.2346939), wk = 0.0020661 k( 337) = ( -0.2865272 0.7134728 0.2448980), wk = 0.0020661 k( 338) = ( -0.2865272 0.7134728 0.2551020), wk = 0.0020661 k( 339) = ( -0.2865272 0.7134728 0.2653061), wk = 0.0020661 k( 340) = ( -0.2865272 0.7134728 0.2755102), wk = 0.0020661 k( 341) = ( -0.2865272 0.7134728 0.2857143), wk = 0.0020661 k( 342) = ( -0.2865272 0.7134728 0.2959184), wk = 0.0020661 k( 343) = ( -0.2865272 0.7134728 0.3061224), wk = 0.0020661 k( 344) = ( -0.2865272 0.7134728 0.3163265), wk = 0.0020661 k( 345) = ( -0.2865272 0.7134728 0.3265306), wk = 0.0020661 k( 346) = ( -0.2865272 0.7134728 0.3367347), wk = 0.0020661 k( 347) = ( -0.2865272 0.7134728 0.3469388), wk = 0.0020661 k( 348) = ( -0.2865272 0.7134728 0.3571429), wk = 0.0020661 k( 349) = ( -0.2865272 0.7134728 0.3673469), wk = 0.0020661 k( 350) = ( -0.2865272 0.7134728 0.3775510), wk = 0.0020661 k( 351) = ( -0.2865272 0.7134728 0.3877551), wk = 0.0020661 k( 352) = ( -0.2865272 0.7134728 0.3979592), wk = 0.0020661 k( 353) = ( -0.2865272 0.7134728 0.4081633), wk = 0.0020661 k( 354) = ( -0.2865272 0.7134728 0.4183674), wk = 0.0020661 k( 355) = ( -0.2865272 0.7134728 0.4285714), wk = 0.0020661 k( 356) = ( -0.2865272 0.7134728 0.4387755), wk = 0.0020661 k( 357) = ( -0.2865272 0.7134728 0.4489796), wk = 0.0020661 k( 358) = ( -0.2865272 0.7134728 0.4591837), wk = 0.0020661 k( 359) = ( -0.2865272 0.7134728 0.4693878), wk = 0.0020661 k( 360) = ( -0.2865272 0.7134728 0.4795918), wk = 0.0020661 k( 361) = ( -0.2865272 0.7134728 0.4897959), wk = 0.0020661 k( 362) = ( -0.2865272 0.7134728 0.5000000), wk = 0.0020661 k( 363) = ( -0.2865272 0.7134728 0.5000000), wk = 0.0020661 k( 364) = ( -0.2922967 0.7077033 0.5000000), wk = 0.0020661 k( 365) = ( -0.2980663 0.7019337 0.5000000), wk = 0.0020661 k( 366) = ( -0.3038358 0.6961642 0.5000000), wk = 0.0020661 k( 367) = ( -0.3096053 0.6903947 0.5000000), wk = 0.0020661 k( 368) = ( -0.3153749 0.6846251 0.5000000), wk = 0.0020661 k( 369) = ( -0.3211444 0.6788556 0.5000000), wk = 0.0020661 k( 370) = ( -0.3269139 0.6730861 0.5000000), wk = 0.0020661 k( 371) = ( -0.3326835 0.6673165 0.5000000), wk = 0.0020661 k( 372) = ( -0.3384530 0.6615470 0.5000000), wk = 0.0020661 k( 373) = ( -0.3442226 0.6557775 0.5000000), wk = 0.0020661 k( 374) = ( -0.3499921 0.6500079 0.5000000), wk = 0.0020661 k( 375) = ( -0.3557616 0.6442384 0.5000000), wk = 0.0020661 k( 376) = ( -0.3615312 0.6384688 0.5000000), wk = 0.0020661 k( 377) = ( -0.3673007 0.6326993 0.5000000), wk = 0.0020661 k( 378) = ( -0.3730702 0.6269298 0.5000000), wk = 0.0020661 k( 379) = ( -0.3788398 0.6211602 0.5000000), wk = 0.0020661 k( 380) = ( -0.3846093 0.6153907 0.5000000), wk = 0.0020661 k( 381) = ( -0.3903788 0.6096212 0.5000000), wk = 0.0020661 k( 382) = ( -0.3961484 0.6038516 0.5000000), wk = 0.0020661 k( 383) = ( -0.4019179 0.5980821 0.5000000), wk = 0.0020661 k( 384) = ( -0.4076874 0.5923126 0.5000000), wk = 0.0020661 k( 385) = ( -0.4134570 0.5865430 0.5000000), wk = 0.0020661 k( 386) = ( -0.4192265 0.5807735 0.5000000), wk = 0.0020661 k( 387) = ( -0.4249960 0.5750040 0.5000000), wk = 0.0020661 k( 388) = ( -0.4307656 0.5692344 0.5000000), wk = 0.0020661 k( 389) = ( -0.4365351 0.5634649 0.5000000), wk = 0.0020661 k( 390) = ( -0.4423047 0.5576954 0.5000000), wk = 0.0020661 k( 391) = ( -0.4480742 0.5519258 0.5000000), wk = 0.0020661 k( 392) = ( -0.4538437 0.5461563 0.5000000), wk = 0.0020661 k( 393) = ( -0.4596132 0.5403868 0.5000000), wk = 0.0020661 k( 394) = ( -0.4653828 0.5346172 0.5000000), wk = 0.0020661 k( 395) = ( -0.4711523 0.5288477 0.5000000), wk = 0.0020661 k( 396) = ( -0.4769219 0.5230781 0.5000000), wk = 0.0020661 k( 397) = ( -0.4826914 0.5173086 0.5000000), wk = 0.0020661 k( 398) = ( -0.4884609 0.5115391 0.5000000), wk = 0.0020661 k( 399) = ( -0.4942305 0.5057695 0.5000000), wk = 0.0020661 k( 400) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 401) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020661 k( 402) = ( -0.5000000 0.5000000 0.4897959), wk = 0.0020661 k( 403) = ( -0.5000000 0.5000000 0.4795918), wk = 0.0020661 k( 404) = ( -0.5000000 0.5000000 0.4693878), wk = 0.0020661 k( 405) = ( -0.5000000 0.5000000 0.4591837), wk = 0.0020661 k( 406) = ( -0.5000000 0.5000000 0.4489796), wk = 0.0020661 k( 407) = ( -0.5000000 0.5000000 0.4387755), wk = 0.0020661 k( 408) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0020661 k( 409) = ( -0.5000000 0.5000000 0.4183674), wk = 0.0020661 k( 410) = ( -0.5000000 0.5000000 0.4081633), wk = 0.0020661 k( 411) = ( -0.5000000 0.5000000 0.3979592), wk = 0.0020661 k( 412) = ( -0.5000000 0.5000000 0.3877551), wk = 0.0020661 k( 413) = ( -0.5000000 0.5000000 0.3775510), wk = 0.0020661 k( 414) = ( -0.5000000 0.5000000 0.3673469), wk = 0.0020661 k( 415) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0020661 k( 416) = ( -0.5000000 0.5000000 0.3469388), wk = 0.0020661 k( 417) = ( -0.5000000 0.5000000 0.3367347), wk = 0.0020661 k( 418) = ( -0.5000000 0.5000000 0.3265306), wk = 0.0020661 k( 419) = ( -0.5000000 0.5000000 0.3163265), wk = 0.0020661 k( 420) = ( -0.5000000 0.5000000 0.3061224), wk = 0.0020661 k( 421) = ( -0.5000000 0.5000000 0.2959184), wk = 0.0020661 k( 422) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0020661 k( 423) = ( -0.5000000 0.5000000 0.2755102), wk = 0.0020661 k( 424) = ( -0.5000000 0.5000000 0.2653061), wk = 0.0020661 k( 425) = ( -0.5000000 0.5000000 0.2551020), wk = 0.0020661 k( 426) = ( -0.5000000 0.5000000 0.2448980), wk = 0.0020661 k( 427) = ( -0.5000000 0.5000000 0.2346939), wk = 0.0020661 k( 428) = ( -0.5000000 0.5000000 0.2244898), wk = 0.0020661 k( 429) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0020661 k( 430) = ( -0.5000000 0.5000000 0.2040816), wk = 0.0020661 k( 431) = ( -0.5000000 0.5000000 0.1938776), wk = 0.0020661 k( 432) = ( -0.5000000 0.5000000 0.1836735), wk = 0.0020661 k( 433) = ( -0.5000000 0.5000000 0.1734694), wk = 0.0020661 k( 434) = ( -0.5000000 0.5000000 0.1632653), wk = 0.0020661 k( 435) = ( -0.5000000 0.5000000 0.1530612), wk = 0.0020661 k( 436) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0020661 k( 437) = ( -0.5000000 0.5000000 0.1326531), wk = 0.0020661 k( 438) = ( -0.5000000 0.5000000 0.1224490), wk = 0.0020661 k( 439) = ( -0.5000000 0.5000000 0.1122449), wk = 0.0020661 k( 440) = ( -0.5000000 0.5000000 0.1020408), wk = 0.0020661 k( 441) = ( -0.5000000 0.5000000 0.0918367), wk = 0.0020661 k( 442) = ( -0.5000000 0.5000000 0.0816327), wk = 0.0020661 k( 443) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0020661 k( 444) = ( -0.5000000 0.5000000 0.0612245), wk = 0.0020661 k( 445) = ( -0.5000000 0.5000000 0.0510204), wk = 0.0020661 k( 446) = ( -0.5000000 0.5000000 0.0408163), wk = 0.0020661 k( 447) = ( -0.5000000 0.5000000 0.0306122), wk = 0.0020661 k( 448) = ( -0.5000000 0.5000000 0.0204082), wk = 0.0020661 k( 449) = ( -0.5000000 0.5000000 0.0102041), wk = 0.0020661 k( 450) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0020661 k( 451) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020661 k( 452) = ( -0.0151515 0.0151515 0.5000000), wk = 0.0020661 k( 453) = ( -0.0303030 0.0303030 0.5000000), wk = 0.0020661 k( 454) = ( -0.0454546 0.0454546 0.5000000), wk = 0.0020661 k( 455) = ( -0.0606061 0.0606061 0.5000000), wk = 0.0020661 k( 456) = ( -0.0757576 0.0757576 0.5000000), wk = 0.0020661 k( 457) = ( -0.0909091 0.0909091 0.5000000), wk = 0.0020661 k( 458) = ( -0.1060606 0.1060606 0.5000000), wk = 0.0020661 k( 459) = ( -0.1212121 0.1212121 0.5000000), wk = 0.0020661 k( 460) = ( -0.1363636 0.1363636 0.5000000), wk = 0.0020661 k( 461) = ( -0.1515151 0.1515151 0.5000000), wk = 0.0020661 k( 462) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0020661 k( 463) = ( -0.1818182 0.1818182 0.5000000), wk = 0.0020661 k( 464) = ( -0.1969697 0.1969697 0.5000000), wk = 0.0020661 k( 465) = ( -0.2121212 0.2121212 0.5000000), wk = 0.0020661 k( 466) = ( -0.2272727 0.2272727 0.5000000), wk = 0.0020661 k( 467) = ( -0.2424242 0.2424242 0.5000000), wk = 0.0020661 k( 468) = ( -0.2575758 0.2575758 0.5000000), wk = 0.0020661 k( 469) = ( -0.2727273 0.2727273 0.5000000), wk = 0.0020661 k( 470) = ( -0.2878788 0.2878788 0.5000000), wk = 0.0020661 k( 471) = ( -0.3030303 0.3030303 0.5000000), wk = 0.0020661 k( 472) = ( -0.3181818 0.3181818 0.5000000), wk = 0.0020661 k( 473) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0020661 k( 474) = ( -0.3484849 0.3484849 0.5000000), wk = 0.0020661 k( 475) = ( -0.3636364 0.3636364 0.5000000), wk = 0.0020661 k( 476) = ( -0.3787879 0.3787879 0.5000000), wk = 0.0020661 k( 477) = ( -0.3939394 0.3939394 0.5000000), wk = 0.0020661 k( 478) = ( -0.4090909 0.4090909 0.5000000), wk = 0.0020661 k( 479) = ( -0.4242424 0.4242424 0.5000000), wk = 0.0020661 k( 480) = ( -0.4393939 0.4393939 0.5000000), wk = 0.0020661 k( 481) = ( -0.4545455 0.4545455 0.5000000), wk = 0.0020661 k( 482) = ( -0.4696970 0.4696970 0.5000000), wk = 0.0020661 k( 483) = ( -0.4848485 0.4848485 0.5000000), wk = 0.0020661 k( 484) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0020661 Dense grid: 16027 G-vectors FFT dimensions: ( 45, 45, 27) Smooth grid: 13233 G-vectors FFT dimensions: ( 40, 40, 25) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.03 Mb ( 76, 28) NL pseudopotentials 0.06 Mb ( 38, 96) Each V/rho on FFT grid 0.03 Mb ( 2025) Each G-vector array 0.00 Mb ( 332) G-vector shells 0.00 Mb ( 163) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.13 Mb ( 76, 112) Each subspace H/S matrix 0.19 Mb ( 112, 112) Each matrix 0.08 Mb ( 96, 2, 28) The potential is recalculated from file : ./GeS.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 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 41.8 secs Computing kpt #: 3 total cpu time spent up to now is 42.2 secs Computing kpt #: 4 total cpu time spent up to now is 42.6 secs Computing kpt #: 5 total cpu time spent up to now is 43.0 secs Computing kpt #: 6 total cpu time spent up to now is 43.4 secs Computing kpt #: 7 total cpu time spent up to now is 43.9 secs Computing kpt #: 8 total cpu time spent up to now is 44.3 secs Computing kpt #: 9 total cpu time spent up to now is 44.8 secs Computing kpt #: 10 total cpu time spent up to now is 45.5 secs Computing kpt #: 11 total cpu time spent up to now is 46.2 secs Computing kpt #: 12 total cpu time spent up to now is 46.8 secs Computing kpt #: 13 total cpu time spent up to now is 47.4 secs Computing kpt #: 14 total cpu time spent up to now is 47.9 secs Computing kpt #: 15 total cpu time spent up to now is 48.3 secs Computing kpt #: 16 total cpu time spent up to now is 48.9 secs Computing kpt #: 17 total cpu time spent up to now is 49.3 secs Computing kpt #: 18 total cpu time spent up to now is 49.8 secs Computing kpt #: 19 total cpu time spent up to now is 50.3 secs Computing kpt #: 20 total cpu time spent up to now is 50.8 secs Computing kpt #: 21 total cpu time spent up to now is 51.3 secs Computing kpt #: 22 total cpu time spent up to now is 51.7 secs Computing kpt #: 23 total cpu time spent up to now is 52.2 secs Computing kpt #: 24 total cpu time spent up to now is 52.6 secs Computing kpt #: 25 total cpu time spent up to now is 53.1 secs Computing kpt #: 26 total cpu time spent up to now is 53.6 secs Computing kpt #: 27 total cpu time spent up to now is 54.1 secs Computing kpt #: 28 total cpu time spent up to now is 54.6 secs Computing kpt #: 29 total cpu time spent up to now is 55.0 secs Computing kpt #: 30 total cpu time spent up to now is 55.4 secs Computing kpt #: 31 total cpu time spent up to now is 55.9 secs Computing kpt #: 32 total cpu time spent up to now is 56.5 secs Computing kpt #: 33 total cpu time spent up to now is 56.9 secs Computing kpt #: 34 total cpu time spent up to now is 57.4 secs Computing kpt #: 35 total cpu time spent up to now is 58.0 secs Computing kpt #: 36 total cpu time spent up to now is 58.5 secs Computing kpt #: 37 total cpu time spent up to now is 59.1 secs Computing kpt #: 38 total cpu time spent up to now is 59.6 secs Computing kpt #: 39 total cpu time spent up to now is 60.0 secs Computing kpt #: 40 total cpu time spent up to now is 60.5 secs Computing kpt #: 41 total cpu time spent up to now is 60.9 secs Computing kpt #: 42 total cpu time spent up to now is 61.4 secs Computing kpt #: 43 total cpu time spent up to now is 61.8 secs Computing kpt #: 44 total cpu time spent up to now is 62.3 secs Computing kpt #: 45 total cpu time spent up to now is 62.8 secs Computing kpt #: 46 total cpu time spent up to now is 63.2 secs Computing kpt #: 47 total cpu time spent up to now is 63.7 secs Computing kpt #: 48 total cpu time spent up to now is 64.1 secs Computing kpt #: 49 total cpu time spent up to now is 64.5 secs Computing kpt #: 50 total cpu time spent up to now is 65.0 secs Computing kpt #: 51 total cpu time spent up to now is 65.4 secs Computing kpt #: 52 total cpu time spent up to now is 65.9 secs Computing kpt #: 53 total cpu time spent up to now is 66.3 secs Computing kpt #: 54 total cpu time spent up to now is 66.8 secs Computing kpt #: 55 total cpu time spent up to now is 67.3 secs Computing kpt #: 56 total cpu time spent up to now is 67.8 secs Computing kpt #: 57 total cpu time spent up to now is 68.2 secs Computing kpt #: 58 total cpu time spent up to now is 68.7 secs Computing kpt #: 59 total cpu time spent up to now is 69.1 secs Computing kpt #: 60 total cpu time spent up to now is 69.6 secs Computing kpt #: 61 total cpu time spent up to now is 70.1 secs Computing kpt #: 62 total cpu time spent up to now is 70.6 secs Computing kpt #: 63 total cpu time spent up to now is 71.2 secs Computing kpt #: 64 total cpu time spent up to now is 71.6 secs Computing kpt #: 65 total cpu time spent up to now is 72.0 secs Computing kpt #: 66 total cpu time spent up to now is 72.3 secs Computing kpt #: 67 total cpu time spent up to now is 72.7 secs Computing kpt #: 68 total cpu time spent up to now is 73.1 secs Computing kpt #: 69 total cpu time spent up to now is 73.5 secs Computing kpt #: 70 total cpu time spent up to now is 73.9 secs Computing kpt #: 71 total cpu time spent up to now is 74.3 secs Computing kpt #: 72 total cpu time spent up to now is 74.9 secs Computing kpt #: 73 total cpu time spent up to now is 76.3 secs Computing kpt #: 74 total cpu time spent up to now is 76.8 secs Computing kpt #: 75 total cpu time spent up to now is 77.2 secs Computing kpt #: 76 total cpu time spent up to now is 77.6 secs Computing kpt #: 77 total cpu time spent up to now is 78.1 secs Computing kpt #: 78 total cpu time spent up to now is 78.5 secs Computing kpt #: 79 total cpu time spent up to now is 78.9 secs Computing kpt #: 80 total cpu time spent up to now is 79.3 secs Computing kpt #: 81 total cpu time spent up to now is 79.7 secs Computing kpt #: 82 total cpu time spent up to now is 80.2 secs Computing kpt #: 83 total cpu time spent up to now is 80.6 secs Computing kpt #: 84 total cpu time spent up to now is 81.0 secs Computing kpt #: 85 total cpu time spent up to now is 81.5 secs Computing kpt #: 86 total cpu time spent up to now is 81.9 secs Computing kpt #: 87 total cpu time spent up to now is 82.4 secs Computing kpt #: 88 total cpu time spent up to now is 82.8 secs Computing kpt #: 89 total cpu time spent up to now is 83.4 secs Computing kpt #: 90 total cpu time spent up to now is 83.8 secs Computing kpt #: 91 total cpu time spent up to now is 84.4 secs Computing kpt #: 92 total cpu time spent up to now is 84.9 secs Computing kpt #: 93 total cpu time spent up to now is 85.3 secs Computing kpt #: 94 total cpu time spent up to now is 85.7 secs Computing kpt #: 95 total cpu time spent up to now is 86.2 secs Computing kpt #: 96 total cpu time spent up to now is 86.6 secs Computing kpt #: 97 total cpu time spent up to now is 87.0 secs Computing kpt #: 98 total cpu time spent up to now is 87.4 secs Computing kpt #: 99 total cpu time spent up to now is 87.8 secs Computing kpt #: 100 total cpu time spent up to now is 88.2 secs Computing kpt #: 101 total cpu time spent up to now is 88.6 secs Computing kpt #: 102 total cpu time spent up to now is 89.0 secs Computing kpt #: 103 total cpu time spent up to now is 89.4 secs Computing kpt #: 104 total cpu time spent up to now is 89.8 secs Computing kpt #: 105 total cpu time spent up to now is 90.3 secs Computing kpt #: 106 total cpu time spent up to now is 90.7 secs Computing kpt #: 107 total cpu time spent up to now is 91.2 secs Computing kpt #: 108 total cpu time spent up to now is 91.6 secs Computing kpt #: 109 total cpu time spent up to now is 92.0 secs Computing kpt #: 110 total cpu time spent up to now is 92.5 secs Computing kpt #: 111 total cpu time spent up to now is 92.9 secs Computing kpt #: 112 total cpu time spent up to now is 93.5 secs Computing kpt #: 113 total cpu time spent up to now is 93.9 secs Computing kpt #: 114 total cpu time spent up to now is 94.3 secs Computing kpt #: 115 total cpu time spent up to now is 94.7 secs Computing kpt #: 116 total cpu time spent up to now is 95.1 secs Computing kpt #: 117 total cpu time spent up to now is 95.4 secs Computing kpt #: 118 total cpu time spent up to now is 95.9 secs Computing kpt #: 119 total cpu time spent up to now is 96.4 secs Computing kpt #: 120 total cpu time spent up to now is 96.7 secs Computing kpt #: 121 total cpu time spent up to now is 97.2 secs Computing kpt #: 122 total cpu time spent up to now is 97.5 secs Computing kpt #: 123 total cpu time spent up to now is 97.9 secs Computing kpt #: 124 total cpu time spent up to now is 98.4 secs Computing kpt #: 125 total cpu time spent up to now is 98.8 secs Computing kpt #: 126 total cpu time spent up to now is 99.2 secs Computing kpt #: 127 total cpu time spent up to now is 100.0 secs Computing kpt #: 128 total cpu time spent up to now is 100.7 secs Computing kpt #: 129 total cpu time spent up to now is 101.1 secs Computing kpt #: 130 total cpu time spent up to now is 101.5 secs Computing kpt #: 131 total cpu time spent up to now is 102.7 secs Computing kpt #: 132 total cpu time spent up to now is 103.1 secs Computing kpt #: 133 total cpu time spent up to now is 103.5 secs Computing kpt #: 134 total cpu time spent up to now is 103.9 secs Computing kpt #: 135 total cpu time spent up to now is 104.3 secs Computing kpt #: 136 total cpu time spent up to now is 104.7 secs Computing kpt #: 137 total cpu time spent up to now is 105.2 secs Computing kpt #: 138 total cpu time spent up to now is 105.8 secs Computing kpt #: 139 total cpu time spent up to now is 106.2 secs Computing kpt #: 140 total cpu time spent up to now is 106.8 secs Computing kpt #: 141 total cpu time spent up to now is 107.2 secs Computing kpt #: 142 total cpu time spent up to now is 107.9 secs Computing kpt #: 143 total cpu time spent up to now is 108.3 secs Computing kpt #: 144 total cpu time spent up to now is 108.7 secs Computing kpt #: 145 total cpu time spent up to now is 109.0 secs Computing kpt #: 146 total cpu time spent up to now is 109.4 secs Computing kpt #: 147 total cpu time spent up to now is 109.8 secs Computing kpt #: 148 total cpu time spent up to now is 110.1 secs Computing kpt #: 149 total cpu time spent up to now is 110.5 secs Computing kpt #: 150 total cpu time spent up to now is 110.9 secs Computing kpt #: 151 total cpu time spent up to now is 111.4 secs Computing kpt #: 152 total cpu time spent up to now is 111.8 secs Computing kpt #: 153 total cpu time spent up to now is 112.2 secs Computing kpt #: 154 total cpu time spent up to now is 112.6 secs Computing kpt #: 155 total cpu time spent up to now is 113.1 secs Computing kpt #: 156 total cpu time spent up to now is 113.6 secs Computing kpt #: 157 total cpu time spent up to now is 114.0 secs Computing kpt #: 158 total cpu time spent up to now is 114.4 secs Computing kpt #: 159 total cpu time spent up to now is 114.8 secs Computing kpt #: 160 total cpu time spent up to now is 115.2 secs Computing kpt #: 161 total cpu time spent up to now is 115.6 secs Computing kpt #: 162 total cpu time spent up to now is 116.0 secs Computing kpt #: 163 total cpu time spent up to now is 116.4 secs Computing kpt #: 164 total cpu time spent up to now is 116.9 secs Computing kpt #: 165 total cpu time spent up to now is 117.3 secs Computing kpt #: 166 total cpu time spent up to now is 117.8 secs Computing kpt #: 167 total cpu time spent up to now is 118.2 secs Computing kpt #: 168 total cpu time spent up to now is 118.6 secs Computing kpt #: 169 total cpu time spent up to now is 119.0 secs Computing kpt #: 170 total cpu time spent up to now is 119.5 secs Computing kpt #: 171 total cpu time spent up to now is 119.8 secs Computing kpt #: 172 total cpu time spent up to now is 120.2 secs Computing kpt #: 173 total cpu time spent up to now is 120.6 secs Computing kpt #: 174 total cpu time spent up to now is 120.9 secs Computing kpt #: 175 total cpu time spent up to now is 121.3 secs Computing kpt #: 176 total cpu time spent up to now is 121.7 secs Computing kpt #: 177 total cpu time spent up to now is 122.0 secs Computing kpt #: 178 total cpu time spent up to now is 122.4 secs Computing kpt #: 179 total cpu time spent up to now is 122.7 secs Computing kpt #: 180 total cpu time spent up to now is 123.1 secs Computing kpt #: 181 total cpu time spent up to now is 123.5 secs Computing kpt #: 182 total cpu time spent up to now is 123.9 secs Computing kpt #: 183 total cpu time spent up to now is 124.2 secs Computing kpt #: 184 total cpu time spent up to now is 124.7 secs Computing kpt #: 185 total cpu time spent up to now is 125.1 secs Computing kpt #: 186 total cpu time spent up to now is 125.5 secs Computing kpt #: 187 total cpu time spent up to now is 125.9 secs Computing kpt #: 188 total cpu time spent up to now is 126.2 secs Computing kpt #: 189 total cpu time spent up to now is 126.7 secs Computing kpt #: 190 total cpu time spent up to now is 127.1 secs Computing kpt #: 191 total cpu time spent up to now is 127.6 secs Computing kpt #: 192 total cpu time spent up to now is 128.0 secs Computing kpt #: 193 total cpu time spent up to now is 128.3 secs Computing kpt #: 194 total cpu time spent up to now is 128.6 secs Computing kpt #: 195 total cpu time spent up to now is 129.0 secs Computing kpt #: 196 total cpu time spent up to now is 129.3 secs Computing kpt #: 197 total cpu time spent up to now is 129.6 secs Computing kpt #: 198 total cpu time spent up to now is 130.0 secs Computing kpt #: 199 total cpu time spent up to now is 130.3 secs Computing kpt #: 200 total cpu time spent up to now is 130.7 secs Computing kpt #: 201 total cpu time spent up to now is 131.1 secs Computing kpt #: 202 total cpu time spent up to now is 131.4 secs Computing kpt #: 203 total cpu time spent up to now is 131.8 secs Computing kpt #: 204 total cpu time spent up to now is 132.2 secs Computing kpt #: 205 total cpu time spent up to now is 132.6 secs Computing kpt #: 206 total cpu time spent up to now is 132.9 secs Computing kpt #: 207 total cpu time spent up to now is 133.5 secs Computing kpt #: 208 total cpu time spent up to now is 134.2 secs Computing kpt #: 209 total cpu time spent up to now is 135.1 secs Computing kpt #: 210 total cpu time spent up to now is 135.5 secs Computing kpt #: 211 total cpu time spent up to now is 135.9 secs Computing kpt #: 212 total cpu time spent up to now is 136.3 secs Computing kpt #: 213 total cpu time spent up to now is 136.7 secs Computing kpt #: 214 total cpu time spent up to now is 137.0 secs Computing kpt #: 215 total cpu time spent up to now is 137.4 secs Computing kpt #: 216 total cpu time spent up to now is 137.8 secs Computing kpt #: 217 total cpu time spent up to now is 138.1 secs Computing kpt #: 218 total cpu time spent up to now is 138.5 secs Computing kpt #: 219 total cpu time spent up to now is 139.0 secs Computing kpt #: 220 total cpu time spent up to now is 139.4 secs Computing kpt #: 221 total cpu time spent up to now is 139.9 secs Computing kpt #: 222 total cpu time spent up to now is 140.4 secs Computing kpt #: 223 total cpu time spent up to now is 141.0 secs Computing kpt #: 224 total cpu time spent up to now is 141.5 secs Computing kpt #: 225 total cpu time spent up to now is 142.1 secs Computing kpt #: 226 total cpu time spent up to now is 142.7 secs Computing kpt #: 227 total cpu time spent up to now is 143.1 secs Computing kpt #: 228 total cpu time spent up to now is 143.5 secs Computing kpt #: 229 total cpu time spent up to now is 143.9 secs Computing kpt #: 230 total cpu time spent up to now is 144.4 secs Computing kpt #: 231 total cpu time spent up to now is 144.8 secs Computing kpt #: 232 total cpu time spent up to now is 145.1 secs Computing kpt #: 233 total cpu time spent up to now is 145.5 secs Computing kpt #: 234 total cpu time spent up to now is 146.0 secs Computing kpt #: 235 total cpu time spent up to now is 146.4 secs Computing kpt #: 236 total cpu time spent up to now is 147.0 secs Computing kpt #: 237 total cpu time spent up to now is 147.6 secs Computing kpt #: 238 total cpu time spent up to now is 148.1 secs Computing kpt #: 239 total cpu time spent up to now is 148.5 secs Computing kpt #: 240 total cpu time spent up to now is 148.9 secs Computing kpt #: 241 total cpu time spent up to now is 149.3 secs Computing kpt #: 242 total cpu time spent up to now is 149.7 secs Computing kpt #: 243 total cpu time spent up to now is 150.1 secs Computing kpt #: 244 total cpu time spent up to now is 150.5 secs Computing kpt #: 245 total cpu time spent up to now is 151.0 secs Computing kpt #: 246 total cpu time spent up to now is 151.4 secs Computing kpt #: 247 total cpu time spent up to now is 151.9 secs Computing kpt #: 248 total cpu time spent up to now is 152.3 secs Computing kpt #: 249 total cpu time spent up to now is 152.7 secs Computing kpt #: 250 total cpu time spent up to now is 153.1 secs Computing kpt #: 251 total cpu time spent up to now is 153.5 secs Computing kpt #: 252 total cpu time spent up to now is 153.9 secs Computing kpt #: 253 total cpu time spent up to now is 154.4 secs Computing kpt #: 254 total cpu time spent up to now is 154.8 secs Computing kpt #: 255 total cpu time spent up to now is 155.2 secs Computing kpt #: 256 total cpu time spent up to now is 155.6 secs Computing kpt #: 257 total cpu time spent up to now is 156.1 secs Computing kpt #: 258 total cpu time spent up to now is 156.6 secs Computing kpt #: 259 total cpu time spent up to now is 157.1 secs Computing kpt #: 260 total cpu time spent up to now is 157.6 secs Computing kpt #: 261 total cpu time spent up to now is 158.1 secs Computing kpt #: 262 total cpu time spent up to now is 158.9 secs Computing kpt #: 263 total cpu time spent up to now is 159.4 secs Computing kpt #: 264 total cpu time spent up to now is 159.8 secs Computing kpt #: 265 total cpu time spent up to now is 160.3 secs Computing kpt #: 266 total cpu time spent up to now is 160.8 secs Computing kpt #: 267 total cpu time spent up to now is 161.3 secs Computing kpt #: 268 total cpu time spent up to now is 161.9 secs Computing kpt #: 269 total cpu time spent up to now is 162.4 secs Computing kpt #: 270 total cpu time spent up to now is 162.9 secs Computing kpt #: 271 total cpu time spent up to now is 163.4 secs Computing kpt #: 272 total cpu time spent up to now is 163.9 secs Computing kpt #: 273 total cpu time spent up to now is 164.3 secs Computing kpt #: 274 total cpu time spent up to now is 164.8 secs Computing kpt #: 275 total cpu time spent up to now is 165.2 secs Computing kpt #: 276 total cpu time spent up to now is 165.6 secs Computing kpt #: 277 total cpu time spent up to now is 166.1 secs Computing kpt #: 278 total cpu time spent up to now is 166.6 secs Computing kpt #: 279 total cpu time spent up to now is 167.0 secs Computing kpt #: 280 total cpu time spent up to now is 167.5 secs Computing kpt #: 281 total cpu time spent up to now is 168.1 secs Computing kpt #: 282 total cpu time spent up to now is 168.5 secs Computing kpt #: 283 total cpu time spent up to now is 169.0 secs Computing kpt #: 284 total cpu time spent up to now is 169.6 secs Computing kpt #: 285 total cpu time spent up to now is 170.1 secs Computing kpt #: 286 total cpu time spent up to now is 170.5 secs Computing kpt #: 287 total cpu time spent up to now is 170.9 secs Computing kpt #: 288 total cpu time spent up to now is 171.4 secs Computing kpt #: 289 total cpu time spent up to now is 171.8 secs Computing kpt #: 290 total cpu time spent up to now is 172.3 secs Computing kpt #: 291 total cpu time spent up to now is 172.7 secs Computing kpt #: 292 total cpu time spent up to now is 173.1 secs Computing kpt #: 293 total cpu time spent up to now is 173.6 secs Computing kpt #: 294 total cpu time spent up to now is 174.0 secs Computing kpt #: 295 total cpu time spent up to now is 174.5 secs Computing kpt #: 296 total cpu time spent up to now is 175.1 secs Computing kpt #: 297 total cpu time spent up to now is 175.6 secs Computing kpt #: 298 total cpu time spent up to now is 176.0 secs Computing kpt #: 299 total cpu time spent up to now is 176.5 secs Computing kpt #: 300 total cpu time spent up to now is 176.9 secs Computing kpt #: 301 total cpu time spent up to now is 177.4 secs Computing kpt #: 302 total cpu time spent up to now is 177.9 secs Computing kpt #: 303 total cpu time spent up to now is 178.4 secs Computing kpt #: 304 total cpu time spent up to now is 178.9 secs Computing kpt #: 305 total cpu time spent up to now is 179.4 secs Computing kpt #: 306 total cpu time spent up to now is 179.8 secs Computing kpt #: 307 total cpu time spent up to now is 180.4 secs Computing kpt #: 308 total cpu time spent up to now is 180.8 secs Computing kpt #: 309 total cpu time spent up to now is 181.3 secs Computing kpt #: 310 total cpu time spent up to now is 181.7 secs Computing kpt #: 311 total cpu time spent up to now is 182.1 secs Computing kpt #: 312 total cpu time spent up to now is 182.5 secs Computing kpt #: 313 total cpu time spent up to now is 183.0 secs Computing kpt #: 314 total cpu time spent up to now is 183.4 secs Computing kpt #: 315 total cpu time spent up to now is 183.8 secs Computing kpt #: 316 total cpu time spent up to now is 184.3 secs Computing kpt #: 317 total cpu time spent up to now is 184.7 secs Computing kpt #: 318 total cpu time spent up to now is 185.2 secs Computing kpt #: 319 total cpu time spent up to now is 185.6 secs Computing kpt #: 320 total cpu time spent up to now is 186.0 secs Computing kpt #: 321 total cpu time spent up to now is 186.4 secs Computing kpt #: 322 total cpu time spent up to now is 186.8 secs Computing kpt #: 323 total cpu time spent up to now is 187.2 secs Computing kpt #: 324 total cpu time spent up to now is 187.6 secs Computing kpt #: 325 total cpu time spent up to now is 187.9 secs Computing kpt #: 326 total cpu time spent up to now is 188.3 secs Computing kpt #: 327 total cpu time spent up to now is 188.7 secs Computing kpt #: 328 total cpu time spent up to now is 189.1 secs Computing kpt #: 329 total cpu time spent up to now is 189.6 secs Computing kpt #: 330 total cpu time spent up to now is 190.1 secs Computing kpt #: 331 total cpu time spent up to now is 190.5 secs Computing kpt #: 332 total cpu time spent up to now is 191.0 secs Computing kpt #: 333 total cpu time spent up to now is 191.5 secs Computing kpt #: 334 total cpu time spent up to now is 191.9 secs Computing kpt #: 335 total cpu time spent up to now is 192.4 secs Computing kpt #: 336 total cpu time spent up to now is 192.8 secs Computing kpt #: 337 total cpu time spent up to now is 193.3 secs Computing kpt #: 338 total cpu time spent up to now is 193.7 secs Computing kpt #: 339 total cpu time spent up to now is 194.1 secs Computing kpt #: 340 total cpu time spent up to now is 194.6 secs Computing kpt #: 341 total cpu time spent up to now is 195.1 secs Computing kpt #: 342 total cpu time spent up to now is 195.6 secs Computing kpt #: 343 total cpu time spent up to now is 196.2 secs Computing kpt #: 344 total cpu time spent up to now is 196.8 secs Computing kpt #: 345 total cpu time spent up to now is 197.4 secs Computing kpt #: 346 total cpu time spent up to now is 198.1 secs Computing kpt #: 347 total cpu time spent up to now is 198.6 secs Computing kpt #: 348 total cpu time spent up to now is 199.3 secs Computing kpt #: 349 total cpu time spent up to now is 199.7 secs Computing kpt #: 350 total cpu time spent up to now is 200.2 secs Computing kpt #: 351 total cpu time spent up to now is 200.6 secs Computing kpt #: 352 total cpu time spent up to now is 201.1 secs Computing kpt #: 353 total cpu time spent up to now is 201.5 secs Computing kpt #: 354 total cpu time spent up to now is 202.0 secs Computing kpt #: 355 total cpu time spent up to now is 202.5 secs Computing kpt #: 356 total cpu time spent up to now is 203.1 secs Computing kpt #: 357 total cpu time spent up to now is 203.5 secs Computing kpt #: 358 total cpu time spent up to now is 203.9 secs Computing kpt #: 359 total cpu time spent up to now is 204.3 secs Computing kpt #: 360 total cpu time spent up to now is 204.8 secs Computing kpt #: 361 total cpu time spent up to now is 205.3 secs Computing kpt #: 362 total cpu time spent up to now is 205.7 secs Computing kpt #: 363 total cpu time spent up to now is 206.1 secs Computing kpt #: 364 total cpu time spent up to now is 206.5 secs Computing kpt #: 365 total cpu time spent up to now is 207.0 secs Computing kpt #: 366 total cpu time spent up to now is 207.4 secs Computing kpt #: 367 total cpu time spent up to now is 207.9 secs Computing kpt #: 368 total cpu time spent up to now is 208.4 secs Computing kpt #: 369 total cpu time spent up to now is 209.0 secs Computing kpt #: 370 total cpu time spent up to now is 209.6 secs Computing kpt #: 371 total cpu time spent up to now is 210.1 secs Computing kpt #: 372 total cpu time spent up to now is 210.5 secs Computing kpt #: 373 total cpu time spent up to now is 210.9 secs Computing kpt #: 374 total cpu time spent up to now is 211.3 secs Computing kpt #: 375 total cpu time spent up to now is 211.8 secs Computing kpt #: 376 total cpu time spent up to now is 212.2 secs Computing kpt #: 377 total cpu time spent up to now is 212.6 secs Computing kpt #: 378 total cpu time spent up to now is 213.1 secs Computing kpt #: 379 total cpu time spent up to now is 213.7 secs Computing kpt #: 380 total cpu time spent up to now is 214.1 secs Computing kpt #: 381 total cpu time spent up to now is 214.5 secs Computing kpt #: 382 total cpu time spent up to now is 214.9 secs Computing kpt #: 383 total cpu time spent up to now is 215.3 secs Computing kpt #: 384 total cpu time spent up to now is 215.6 secs Computing kpt #: 385 total cpu time spent up to now is 216.0 secs Computing kpt #: 386 total cpu time spent up to now is 216.4 secs Computing kpt #: 387 total cpu time spent up to now is 216.7 secs Computing kpt #: 388 total cpu time spent up to now is 217.1 secs Computing kpt #: 389 total cpu time spent up to now is 217.5 secs Computing kpt #: 390 total cpu time spent up to now is 217.9 secs Computing kpt #: 391 total cpu time spent up to now is 218.3 secs Computing kpt #: 392 total cpu time spent up to now is 218.8 secs Computing kpt #: 393 total cpu time spent up to now is 219.3 secs Computing kpt #: 394 total cpu time spent up to now is 219.7 secs Computing kpt #: 395 total cpu time spent up to now is 220.2 secs Computing kpt #: 396 total cpu time spent up to now is 220.7 secs Computing kpt #: 397 total cpu time spent up to now is 221.2 secs Computing kpt #: 398 total cpu time spent up to now is 221.7 secs Computing kpt #: 399 total cpu time spent up to now is 222.1 secs Computing kpt #: 400 total cpu time spent up to now is 222.5 secs Computing kpt #: 401 total cpu time spent up to now is 222.9 secs Computing kpt #: 402 total cpu time spent up to now is 223.3 secs Computing kpt #: 403 total cpu time spent up to now is 223.8 secs Computing kpt #: 404 total cpu time spent up to now is 224.2 secs Computing kpt #: 405 total cpu time spent up to now is 224.6 secs Computing kpt #: 406 total cpu time spent up to now is 225.0 secs Computing kpt #: 407 total cpu time spent up to now is 225.4 secs Computing kpt #: 408 total cpu time spent up to now is 225.8 secs Computing kpt #: 409 total cpu time spent up to now is 226.3 secs Computing kpt #: 410 total cpu time spent up to now is 226.7 secs Computing kpt #: 411 total cpu time spent up to now is 227.1 secs Computing kpt #: 412 total cpu time spent up to now is 227.6 secs Computing kpt #: 413 total cpu time spent up to now is 228.0 secs Computing kpt #: 414 total cpu time spent up to now is 228.4 secs Computing kpt #: 415 total cpu time spent up to now is 228.8 secs Computing kpt #: 416 total cpu time spent up to now is 229.2 secs Computing kpt #: 417 total cpu time spent up to now is 229.6 secs Computing kpt #: 418 total cpu time spent up to now is 230.0 secs Computing kpt #: 419 total cpu time spent up to now is 230.4 secs Computing kpt #: 420 total cpu time spent up to now is 230.8 secs Computing kpt #: 421 total cpu time spent up to now is 231.3 secs Computing kpt #: 422 total cpu time spent up to now is 231.8 secs Computing kpt #: 423 total cpu time spent up to now is 232.3 secs Computing kpt #: 424 total cpu time spent up to now is 232.7 secs Computing kpt #: 425 total cpu time spent up to now is 233.2 secs Computing kpt #: 426 total cpu time spent up to now is 233.7 secs Computing kpt #: 427 total cpu time spent up to now is 234.2 secs Computing kpt #: 428 total cpu time spent up to now is 234.7 secs Computing kpt #: 429 total cpu time spent up to now is 235.2 secs Computing kpt #: 430 total cpu time spent up to now is 235.6 secs Computing kpt #: 431 total cpu time spent up to now is 236.1 secs Computing kpt #: 432 total cpu time spent up to now is 236.5 secs Computing kpt #: 433 total cpu time spent up to now is 237.0 secs Computing kpt #: 434 total cpu time spent up to now is 237.5 secs Computing kpt #: 435 total cpu time spent up to now is 238.4 secs Computing kpt #: 436 total cpu time spent up to now is 238.9 secs Computing kpt #: 437 total cpu time spent up to now is 239.6 secs Computing kpt #: 438 total cpu time spent up to now is 240.4 secs Computing kpt #: 439 total cpu time spent up to now is 240.9 secs Computing kpt #: 440 total cpu time spent up to now is 241.4 secs Computing kpt #: 441 total cpu time spent up to now is 242.1 secs Computing kpt #: 442 total cpu time spent up to now is 242.6 secs Computing kpt #: 443 total cpu time spent up to now is 243.0 secs Computing kpt #: 444 total cpu time spent up to now is 243.5 secs Computing kpt #: 445 total cpu time spent up to now is 244.0 secs Computing kpt #: 446 total cpu time spent up to now is 244.5 secs Computing kpt #: 447 total cpu time spent up to now is 244.9 secs Computing kpt #: 448 total cpu time spent up to now is 245.4 secs Computing kpt #: 449 total cpu time spent up to now is 245.9 secs Computing kpt #: 450 total cpu time spent up to now is 246.5 secs Computing kpt #: 451 total cpu time spent up to now is 247.0 secs Computing kpt #: 452 total cpu time spent up to now is 247.6 secs Computing kpt #: 453 total cpu time spent up to now is 248.1 secs Computing kpt #: 454 total cpu time spent up to now is 248.5 secs Computing kpt #: 455 total cpu time spent up to now is 248.8 secs Computing kpt #: 456 total cpu time spent up to now is 249.2 secs Computing kpt #: 457 total cpu time spent up to now is 249.6 secs Computing kpt #: 458 total cpu time spent up to now is 250.1 secs Computing kpt #: 459 total cpu time spent up to now is 250.5 secs Computing kpt #: 460 total cpu time spent up to now is 250.8 secs Computing kpt #: 461 total cpu time spent up to now is 251.3 secs Computing kpt #: 462 total cpu time spent up to now is 251.8 secs Computing kpt #: 463 total cpu time spent up to now is 252.2 secs Computing kpt #: 464 total cpu time spent up to now is 252.6 secs Computing kpt #: 465 total cpu time spent up to now is 252.9 secs Computing kpt #: 466 total cpu time spent up to now is 253.3 secs Computing kpt #: 467 total cpu time spent up to now is 253.7 secs Computing kpt #: 468 total cpu time spent up to now is 254.0 secs Computing kpt #: 469 total cpu time spent up to now is 254.5 secs Computing kpt #: 470 total cpu time spent up to now is 255.1 secs Computing kpt #: 471 total cpu time spent up to now is 255.5 secs Computing kpt #: 472 total cpu time spent up to now is 255.9 secs Computing kpt #: 473 total cpu time spent up to now is 256.3 secs Computing kpt #: 474 total cpu time spent up to now is 256.7 secs Computing kpt #: 475 total cpu time spent up to now is 257.0 secs Computing kpt #: 476 total cpu time spent up to now is 257.4 secs Computing kpt #: 477 total cpu time spent up to now is 257.9 secs Computing kpt #: 478 total cpu time spent up to now is 258.4 secs Computing kpt #: 479 total cpu time spent up to now is 259.0 secs Computing kpt #: 480 total cpu time spent up to now is 259.6 secs Computing kpt #: 481 total cpu time spent up to now is 260.0 secs Computing kpt #: 482 total cpu time spent up to now is 260.5 secs Computing kpt #: 483 total cpu time spent up to now is 261.0 secs Computing kpt #: 484 total cpu time spent up to now is 261.4 secs ethr = 5.00E-11, avg # of iterations = 20.2 total cpu time spent up to now is 261.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1657 PWs) bands (ev): -6.1758 -6.1758 -2.2715 -2.2715 2.4601 2.4601 4.5877 4.5877 5.7898 5.7898 6.2304 6.2304 6.3317 6.3317 6.7136 6.7136 9.6430 9.6430 11.2952 11.2952 13.9441 13.9441 16.0867 16.0867 16.7844 16.7844 16.8893 16.8893 k = 0.0057 0.0150-0.0000 ( 1657 PWs) bands (ev): -6.1745 -6.1745 -2.2710 -2.2710 2.4611 2.4611 4.5662 4.5662 5.8110 5.8110 6.0678 6.0678 6.4958 6.4958 6.7150 6.7150 9.6437 9.6437 11.2949 11.2949 13.9479 13.9479 16.0764 16.0764 16.7801 16.7801 16.8933 16.8933 k = 0.0115 0.0300-0.0000 ( 1653 PWs) bands (ev): -6.1707 -6.1707 -2.2695 -2.2695 2.4639 2.4639 4.5060 4.5060 5.8544 5.8544 5.8814 5.8814 6.6994 6.6994 6.7223 6.7223 9.6458 9.6458 11.2942 11.2942 13.9595 13.9595 16.0462 16.0462 16.7672 16.7672 16.9049 16.9049 k = 0.0172 0.0450-0.0000 ( 1653 PWs) bands (ev): -6.1643 -6.1643 -2.2669 -2.2669 2.4687 2.4687 4.4163 4.4163 5.6603 5.6603 5.9616 5.9616 6.7248 6.7248 6.9135 6.9135 9.6492 9.6492 11.2929 11.2929 13.9787 13.9787 15.9979 15.9979 16.7456 16.7456 16.9230 16.9230 k = 0.0229 0.0600-0.0000 ( 1653 PWs) bands (ev): -6.1553 -6.1553 -2.2634 -2.2634 2.4752 2.4752 4.3066 4.3066 5.4587 5.4587 6.0707 6.0707 6.7342 6.7342 7.1245 7.1245 9.6540 9.6540 11.2910 11.2910 14.0057 14.0057 15.9335 15.9335 16.7149 16.7149 16.9466 16.9466 k = 0.0287 0.0750-0.0000 ( 1651 PWs) bands (ev): -6.1438 -6.1438 -2.2590 -2.2590 2.4835 2.4835 4.1837 4.1837 5.2589 5.2589 6.1927 6.1927 6.7463 6.7463 7.3365 7.3365 9.6601 9.6601 11.2884 11.2884 14.0405 14.0405 15.8554 15.8554 16.6747 16.6747 16.9749 16.9749 k = 0.0344 0.0900-0.0000 ( 1651 PWs) bands (ev): -6.1297 -6.1297 -2.2536 -2.2536 2.4932 2.4932 4.0527 4.0527 5.0614 5.0614 6.3228 6.3228 6.7611 6.7611 7.5490 7.5490 9.6674 9.6674 11.2852 11.2852 14.0831 14.0831 15.7658 15.7658 16.6244 16.6244 17.0071 17.0071 k = 0.0401 0.1049-0.0000 ( 1643 PWs) bands (ev): -6.1130 -6.1130 -2.2475 -2.2475 2.5043 2.5043 3.9167 3.9167 4.8666 4.8666 6.4573 6.4573 6.7790 6.7790 7.7618 7.7618 9.6760 9.6760 11.2811 11.2811 14.1337 14.1337 15.6668 15.6668 16.5637 16.5637 17.0428 17.0428 k = 0.0458 0.1199-0.0000 ( 1639 PWs) bands (ev): -6.0939 -6.0939 -2.2406 -2.2406 2.5162 2.5162 3.7779 3.7779 4.6750 4.6750 6.5933 6.5933 6.8010 6.8010 7.9745 7.9745 9.6858 9.6858 11.2761 11.2761 14.1921 14.1921 15.5600 15.5600 16.4923 16.4923 17.0813 17.0813 k = 0.0516 0.1349-0.0000 ( 1641 PWs) bands (ev): -6.0721 -6.0721 -2.2331 -2.2331 2.5287 2.5287 3.6377 3.6377 4.4872 4.4872 6.7245 6.7245 6.8317 6.8317 8.1869 8.1869 9.6967 9.6967 11.2702 11.2702 14.2586 14.2586 15.4470 15.4470 16.4102 16.4102 17.1213 17.1213 k = 0.0573 0.1499-0.0000 ( 1641 PWs) bands (ev): -6.0479 -6.0479 -2.2252 -2.2252 2.5409 2.5409 3.4974 3.4974 4.3040 4.3040 6.8164 6.8164 6.9048 6.9048 8.3987 8.3987 9.7086 9.7086 11.2632 11.2632 14.3330 14.3330 15.3289 15.3289 16.3178 16.3178 17.1577 17.1577 k = 0.0630 0.1649-0.0000 ( 1641 PWs) bands (ev): -6.0211 -6.0211 -2.2168 -2.2168 2.5518 2.5518 3.3578 3.3578 4.1265 4.1265 6.8570 6.8570 7.0313 7.0313 8.6097 8.6097 9.7215 9.7215 11.2551 11.2551 14.4153 14.4153 15.2070 15.2070 16.2156 16.2156 17.1412 17.1412 k = 0.0688 0.1799-0.0000 ( 1643 PWs) bands (ev): -5.9919 -5.9919 -2.2083 -2.2083 2.5600 2.5600 3.2195 3.2195 3.9562 3.9562 6.8898 6.8898 7.1673 7.1673 8.8194 8.8194 9.7353 9.7353 11.2458 11.2458 14.5055 14.5055 15.0822 15.0822 16.1044 16.1044 17.0074 17.0074 k = 0.0745 0.1949-0.0000 ( 1649 PWs) bands (ev): -5.9601 -5.9601 -2.1997 -2.1997 2.5630 2.5630 3.0832 3.0832 3.7957 3.7957 6.9230 6.9230 7.3039 7.3039 9.0275 9.0275 9.7500 9.7500 11.2354 11.2354 14.6033 14.6033 14.9555 14.9555 15.9853 15.9853 16.8523 16.8523 k = 0.0802 0.2099-0.0000 ( 1653 PWs) bands (ev): -5.9259 -5.9259 -2.1912 -2.1912 2.5573 2.5573 2.9495 2.9495 3.6484 3.6484 6.9579 6.9579 7.4395 7.4395 9.2335 9.2335 9.7655 9.7655 11.2237 11.2237 14.7077 14.7077 14.8287 14.8287 15.8593 15.8593 16.6958 16.6958 k = 0.0860 0.2249-0.0000 ( 1653 PWs) bands (ev): -5.8891 -5.8891 -2.1832 -2.1832 2.5382 2.5382 2.8189 2.8189 3.5193 3.5193 6.9950 6.9950 7.5734 7.5734 9.4363 9.4363 9.7821 9.7821 11.2109 11.2109 14.6963 14.6963 14.8247 14.8247 15.7275 15.7275 16.5411 16.5411 k = 0.0917 0.2399-0.0000 ( 1649 PWs) bands (ev): -5.8500 -5.8500 -2.1757 -2.1757 2.4998 2.4998 2.6917 2.6917 3.4143 3.4143 7.0342 7.0342 7.7051 7.7051 9.6331 9.6331 9.8023 9.8023 11.1969 11.1969 14.5694 14.5694 14.9434 14.9434 15.5910 15.5910 16.3891 16.3891 k = 0.0974 0.2549-0.0000 ( 1651 PWs) bands (ev): -5.8084 -5.8084 -2.1691 -2.1691 2.4370 2.4370 2.5686 2.5686 3.3384 3.3384 7.0758 7.0758 7.8344 7.8344 9.7840 9.7840 9.8650 9.8650 11.1819 11.1819 14.4427 14.4427 15.0696 15.0696 15.4507 15.4507 16.2405 16.2405 k = 0.1031 0.2699-0.0000 ( 1647 PWs) bands (ev): -5.7644 -5.7644 -2.1637 -2.1637 2.3488 2.3488 2.4500 2.4500 3.2928 3.2928 7.1196 7.1196 7.9610 7.9610 9.8181 9.8181 10.0402 10.0402 11.1660 11.1660 14.3179 14.3179 15.2014 15.2014 15.3080 15.3080 16.0958 16.0958 k = 0.1089 0.2848-0.0000 ( 1647 PWs) bands (ev): -5.7180 -5.7180 -2.1598 -2.1598 2.2385 2.2385 2.3363 2.3363 3.2741 3.2741 7.1656 7.1656 8.0846 8.0846 9.8361 9.8361 10.2261 10.2261 11.1495 11.1495 14.1960 14.1960 15.1619 15.1619 15.3391 15.3391 15.9556 15.9556 k = 0.1146 0.2998-0.0000 ( 1647 PWs) bands (ev): -5.6692 -5.6692 -2.1576 -2.1576 2.1121 2.1121 2.2279 2.2279 3.2766 3.2766 7.2139 7.2139 8.2050 8.2050 9.8518 9.8518 10.4077 10.4077 11.1326 11.1326 14.0780 14.0780 15.0156 15.0156 15.4785 15.4785 15.8204 15.8204 k = 0.1203 0.3148-0.0000 ( 1651 PWs) bands (ev): -5.6181 -5.6181 -2.1576 -2.1576 1.9750 1.9750 2.1253 2.1253 3.2948 3.2948 7.2643 7.2643 8.3220 8.3220 9.8662 9.8662 10.5824 10.5824 11.1156 11.1156 13.9655 13.9655 14.8685 14.8685 15.6166 15.6166 15.6919 15.6919 k = 0.1261 0.3298-0.0000 ( 1645 PWs) bands (ev): -5.5647 -5.5647 -2.1601 -2.1601 1.8314 1.8314 2.0289 2.0289 3.3247 3.3247 7.3169 7.3169 8.4353 8.4353 9.8794 9.8794 10.7479 10.7479 11.0993 11.0993 13.8599 13.8599 14.7212 14.7212 15.5641 15.5641 15.7548 15.7548 k = 0.1318 0.3448-0.0000 ( 1649 PWs) bands (ev): -5.5091 -5.5091 -2.1654 -2.1654 1.6841 1.6841 1.9394 1.9394 3.3633 3.3633 7.3715 7.3715 8.5445 8.5445 9.8912 9.8912 10.9012 10.9012 11.0853 11.0853 13.7632 13.7632 14.5742 14.5742 15.4458 15.4458 15.8757 15.8757 k = 0.1375 0.3598-0.0000 ( 1649 PWs) bands (ev): -5.4512 -5.4512 -2.1739 -2.1739 1.5351 1.5351 1.8570 1.8570 3.4088 3.4088 7.4282 7.4282 8.6493 8.6493 9.9013 9.9013 11.0252 11.0252 11.0884 11.0884 13.6779 13.6779 14.4281 14.4281 15.3336 15.3336 15.9681 15.9681 k = 0.1433 0.3748-0.0000 ( 1649 PWs) bands (ev): -5.3911 -5.3911 -2.1860 -2.1860 1.3857 1.3857 1.7822 1.7822 3.4598 3.4598 7.4868 7.4868 8.7491 8.7491 9.9094 9.9094 11.0438 11.0438 11.1826 11.1826 13.6069 13.6069 14.2831 14.2831 15.2280 15.2280 16.0123 16.0123 k = 0.1490 0.3898-0.0000 ( 1653 PWs) bands (ev): -5.3289 -5.3289 -2.2019 -2.2019 1.2368 1.2368 1.7154 1.7154 3.5157 3.5157 7.5472 7.5472 8.8435 8.8435 9.9154 9.9154 11.0360 11.0360 11.2862 11.2862 13.5534 13.5534 14.1398 14.1398 15.1294 15.1294 15.9991 15.9991 k = 0.1547 0.4048-0.0000 ( 1649 PWs) bands (ev): -5.2647 -5.2647 -2.2219 -2.2219 1.0891 1.0891 1.6569 1.6569 3.5756 3.5756 7.6095 7.6095 8.9318 8.9318 9.9189 9.9189 11.0293 11.0293 11.3692 11.3692 13.5208 13.5208 13.9984 13.9984 15.0383 15.0383 15.9393 15.9393 k = 0.1605 0.4198-0.0000 ( 1651 PWs) bands (ev): -5.1984 -5.1984 -2.2462 -2.2462 0.9431 0.9431 1.6069 1.6069 3.6393 3.6393 7.6734 7.6734 9.0132 9.0132 9.9196 9.9196 11.0264 11.0264 11.4271 11.4271 13.5116 13.5116 13.8595 13.8595 14.9549 14.9549 15.8503 15.8503 k = 0.1662 0.4348-0.0000 ( 1651 PWs) bands (ev): -5.1303 -5.1303 -2.2751 -2.2751 0.7992 0.7992 1.5658 1.5658 3.7063 3.7063 7.7388 7.7388 9.0871 9.0871 9.9172 9.9172 11.0285 11.0285 11.4581 11.4581 13.5264 13.5264 13.7244 13.7244 14.8796 14.8796 15.7448 15.7448 k = 0.1719 0.4498-0.0000 ( 1651 PWs) bands (ev): -5.0603 -5.0603 -2.3085 -2.3085 0.6576 0.6576 1.5336 1.5336 3.7765 3.7765 7.8057 7.8057 9.1525 9.1525 9.9116 9.9116 11.0368 11.0368 11.4625 11.4625 13.5491 13.5491 13.6089 13.6089 14.8127 14.8127 15.6300 15.6300 k = 0.1776 0.4647-0.0000 ( 1655 PWs) bands (ev): -4.9885 -4.9885 -2.3465 -2.3465 0.5187 0.5187 1.5104 1.5104 3.8496 3.8496 7.8738 7.8738 9.2087 9.2087 9.9024 9.9024 11.0524 11.0524 11.4426 11.4426 13.4496 13.4496 13.6409 13.6409 14.7544 14.7544 15.5098 15.5098 k = 0.1834 0.4797-0.0000 ( 1651 PWs) bands (ev): -4.9151 -4.9151 -2.3890 -2.3890 0.3827 0.3827 1.4961 1.4961 3.9255 3.9255 7.9430 7.9430 9.2552 9.2552 9.8894 9.8894 11.0760 11.0760 11.4021 11.4021 13.3240 13.3240 13.7215 13.7215 14.7051 14.7051 15.3864 15.3864 k = 0.1891 0.4947-0.0000 ( 1651 PWs) bands (ev): -4.8403 -4.8403 -2.4359 -2.4359 0.2497 0.2497 1.4907 1.4907 4.0041 4.0041 8.0131 8.0131 9.2914 9.2914 9.8726 9.8726 11.1079 11.1079 11.3452 11.3452 13.2002 13.2002 13.8187 13.8187 14.6648 14.6648 15.2614 15.2614 k = 0.1948 0.5097-0.0000 ( 1655 PWs) bands (ev): -4.7640 -4.7640 -2.4871 -2.4871 0.1202 0.1202 1.4940 1.4940 4.0853 4.0853 8.0840 8.0840 9.3173 9.3173 9.8518 9.8518 11.1465 11.1465 11.2774 11.2774 13.0799 13.0799 13.9275 13.9275 14.6337 14.6337 15.1354 15.1354 k = 0.2006 0.5247-0.0000 ( 1659 PWs) bands (ev): -4.6866 -4.6866 -2.5421 -2.5421 -0.0058 -0.0058 1.5058 1.5058 4.1689 4.1689 8.1552 8.1552 9.3331 9.3331 9.8269 9.8269 11.1645 11.1645 11.2295 11.2295 12.9637 12.9637 14.0442 14.0442 14.6118 14.6118 15.0093 15.0093 k = 0.2063 0.5397-0.0000 ( 1659 PWs) bands (ev): -4.6082 -4.6082 -2.6008 -2.6008 -0.1279 -0.1279 1.5257 1.5257 4.2548 4.2548 8.2266 8.2266 9.3392 9.3392 9.7980 9.7980 11.0929 11.0929 11.2727 11.2727 12.8520 12.8520 14.1656 14.1656 14.5987 14.5987 14.8833 14.8833 k = 0.2120 0.5547-0.0000 ( 1663 PWs) bands (ev): -4.5291 -4.5291 -2.6628 -2.6628 -0.2460 -0.2460 1.5535 1.5535 4.3430 4.3430 8.2978 8.2978 9.3364 9.3364 9.7651 9.7651 11.0006 11.0006 11.3396 11.3396 12.7452 12.7452 14.2877 14.2877 14.5927 14.5927 14.7584 14.7584 k = 0.2178 0.5697-0.0000 ( 1659 PWs) bands (ev): -4.4494 -4.4494 -2.7278 -2.7278 -0.3596 -0.3596 1.5888 1.5888 4.4334 4.4334 8.3685 8.3685 9.3254 9.3254 9.7283 9.7283 10.9026 10.9026 11.4163 11.4163 12.6437 12.6437 14.4023 14.4023 14.5784 14.5784 14.6381 14.6381 k = 0.2235 0.5847-0.0000 ( 1657 PWs) bands (ev): -4.3696 -4.3696 -2.7953 -2.7953 -0.4684 -0.4684 1.6313 1.6313 4.5258 4.5258 8.4382 8.4382 9.3074 9.3074 9.6879 9.6879 10.8010 10.8010 11.5006 11.5006 12.5481 12.5481 14.4535 14.4535 14.5020 14.5020 14.5608 14.5608 k = 0.2292 0.5997-0.0000 ( 1649 PWs) bands (ev): -4.2901 -4.2901 -2.8651 -2.8651 -0.5721 -0.5721 1.6807 1.6807 4.6203 4.6203 8.5065 8.5065 9.2831 9.2831 9.6439 9.6439 10.6974 10.6974 11.5917 11.5917 12.4588 12.4588 14.3490 14.3490 14.3861 14.3861 14.6028 14.6028 k = 0.2350 0.6147-0.0000 ( 1649 PWs) bands (ev): -4.2111 -4.2111 -2.9367 -2.9367 -0.6702 -0.6702 1.7365 1.7365 4.7166 4.7166 8.5728 8.5728 9.2536 9.2536 9.5968 9.5968 10.5923 10.5923 11.6885 11.6885 12.3766 12.3766 14.2189 14.2189 14.2644 14.2644 14.6479 14.6479 k = 0.2407 0.6297-0.0000 ( 1641 PWs) bands (ev): -4.1333 -4.1333 -3.0099 -3.0099 -0.7622 -0.7622 1.7984 1.7984 4.8147 4.8147 8.6367 8.6367 9.2195 9.2195 9.5466 9.5466 10.4864 10.4864 11.7902 11.7902 12.3022 12.3022 14.0856 14.0856 14.1431 14.1431 14.6932 14.6932 k = 0.2464 0.6447-0.0000 ( 1641 PWs) bands (ev): -4.0573 -4.0573 -3.0842 -3.0842 -0.8475 -0.8475 1.8661 1.8661 4.9144 4.9144 8.6974 8.6974 9.1817 9.1817 9.4939 9.4939 10.3803 10.3803 11.8956 11.8956 12.2368 12.2368 13.9520 13.9520 14.0230 14.0230 14.7434 14.7434 k = 0.2521 0.6596-0.0000 ( 1641 PWs) bands (ev): -3.9836 -3.9836 -3.1594 -3.1594 -0.9255 -0.9255 1.9393 1.9393 5.0158 5.0158 8.7544 8.7544 9.1409 9.1409 9.4387 9.4387 10.2742 10.2742 12.0012 12.0012 12.1840 12.1840 13.8190 13.8190 13.9043 13.9043 14.8000 14.8000 k = 0.2579 0.6746-0.0000 ( 1647 PWs) bands (ev): -3.9131 -3.9131 -3.2352 -3.2352 -0.9953 -0.9953 2.0177 2.0177 5.1185 5.1185 8.8069 8.8069 9.0975 9.0975 9.3816 9.3816 10.1685 10.1685 12.0797 12.0797 12.1713 12.1713 13.6868 13.6868 13.7869 13.7869 14.8632 14.8632 k = 0.2636 0.6896-0.0000 ( 1647 PWs) bands (ev): -3.8466 -3.8466 -3.3113 -3.3113 -1.0561 -1.0561 2.1010 2.1010 5.2224 5.2224 8.8542 8.8542 9.0523 9.0523 9.3227 9.3227 10.0635 10.0635 12.0709 12.0709 12.2593 12.2593 13.5558 13.5558 13.6710 13.6710 14.9331 14.9331 k = 0.2693 0.7046-0.0000 ( 1643 PWs) bands (ev): -3.7851 -3.7851 -3.3874 -3.3874 -1.1071 -1.1071 2.1889 2.1889 5.3274 5.3274 8.8954 8.8954 9.0058 9.0058 9.2624 9.2624 9.9594 9.9594 12.0474 12.0474 12.3754 12.3754 13.4260 13.4260 13.5566 13.5566 15.0094 15.0094 k = 0.2751 0.7196-0.0000 ( 1641 PWs) bands (ev): -3.7294 -3.7294 -3.4634 -3.4634 -1.1472 -1.1472 2.2813 2.2813 5.4332 5.4332 8.9270 8.9270 8.9614 8.9614 9.2009 9.2009 9.8564 9.8564 12.0316 12.0316 12.4972 12.4972 13.2975 13.2975 13.4440 13.4440 15.0920 15.0920 k = 0.2808 0.7346-0.0000 ( 1641 PWs) bands (ev): -3.6806 -3.6806 -3.5390 -3.5390 -1.1756 -1.1756 2.3778 2.3778 5.5397 5.5397 8.9041 8.9041 8.9640 8.9640 9.1386 9.1386 9.7548 9.7548 12.0264 12.0264 12.6212 12.6212 13.1704 13.1704 13.3339 13.3339 15.1805 15.1805 k = 0.2865 0.7496-0.0000 ( 1639 PWs) bands (ev): -3.6395 -3.6395 -3.6140 -3.6140 -1.1914 -1.1914 2.4782 2.4782 5.6464 5.6464 8.8558 8.8558 8.9843 8.9843 9.0758 9.0758 9.6547 9.6547 12.0325 12.0325 12.7447 12.7447 13.0452 13.0452 13.2278 13.2278 15.2748 15.2748 k = 0.2865 0.7496-0.0000 ( 1639 PWs) bands (ev): -3.6395 -3.6395 -3.6140 -3.6140 -1.1914 -1.1914 2.4782 2.4782 5.6464 5.6464 8.8558 8.8558 8.9843 8.9843 9.0758 9.0758 9.6547 9.6547 12.0325 12.0325 12.7447 12.7447 13.0452 13.0452 13.2278 13.2278 15.2748 15.2748 k = 0.2706 0.7496-0.0000 ( 1640 PWs) bands (ev): -3.6679 -3.6679 -3.5731 -3.5731 -1.1847 -1.1847 2.4368 2.4368 5.6163 5.6163 8.8456 8.8456 8.9715 8.9715 9.1037 9.1037 9.7132 9.7132 12.0306 12.0306 12.7008 12.7008 13.0443 13.0443 13.3171 13.3171 15.2385 15.2385 k = 0.2547 0.7496-0.0000 ( 1639 PWs) bands (ev): -3.6994 -3.6994 -3.5308 -3.5308 -1.1712 -1.1712 2.3852 2.3852 5.6017 5.6017 8.7901 8.7901 8.9526 8.9526 9.1362 9.1362 9.8084 9.8084 12.0333 12.0333 12.6574 12.6574 13.0059 13.0059 13.4578 13.4578 15.1985 15.1985 k = 0.2388 0.7496-0.0000 ( 1642 PWs) bands (ev): -3.7295 -3.7295 -3.4918 -3.4918 -1.1509 -1.1509 2.3241 2.3241 5.6022 5.6022 8.7050 8.7050 8.9322 8.9322 9.1686 9.1686 9.9239 9.9239 12.0404 12.0404 12.6160 12.6160 12.9643 12.9643 13.6135 13.6135 15.1553 15.1553 k = 0.2229 0.7496-0.0000 ( 1644 PWs) bands (ev): -3.7579 -3.7579 -3.4564 -3.4564 -1.1241 -1.1241 2.2544 2.2544 5.6170 5.6170 8.6019 8.6019 8.9122 8.9122 9.1994 9.1994 10.0479 10.0479 12.0516 12.0516 12.5769 12.5769 12.9263 12.9263 13.7761 13.7761 15.1091 15.1091 k = 0.2069 0.7496-0.0000 ( 1650 PWs) bands (ev): -3.7845 -3.7845 -3.4247 -3.4247 -1.0911 -1.0911 2.1774 2.1774 5.6454 5.6454 8.4876 8.4876 8.8930 8.8930 9.2281 9.2281 10.1734 10.1734 12.0666 12.0666 12.5405 12.5405 12.8937 12.8937 13.9426 13.9426 15.0607 15.0607 k = 0.1910 0.7496-0.0000 ( 1649 PWs) bands (ev): -3.8093 -3.8093 -3.3967 -3.3967 -1.0523 -1.0523 2.0946 2.0946 5.6861 5.6861 8.3660 8.3660 8.8749 8.8749 9.2544 9.2544 10.2962 10.2962 12.0851 12.0851 12.5066 12.5066 12.8673 12.8673 14.1102 14.1102 15.0108 15.0108 k = 0.1751 0.7496-0.0000 ( 1649 PWs) bands (ev): -3.8323 -3.8323 -3.3721 -3.3721 -1.0085 -1.0085 2.0075 2.0075 5.7382 5.7382 8.2397 8.2397 8.8581 8.8581 9.2783 9.2783 10.4137 10.4137 12.1064 12.1064 12.4755 12.4755 12.8473 12.8473 14.2756 14.2756 14.9604 14.9604 k = 0.1592 0.7496-0.0000 ( 1650 PWs) bands (ev): -3.8533 -3.8533 -3.3509 -3.3509 -0.9604 -0.9604 1.9177 1.9177 5.8006 5.8006 8.1101 8.1101 8.8426 8.8426 9.2996 9.2996 10.5241 10.5241 12.1301 12.1301 12.4470 12.4470 12.8337 12.8337 14.4335 14.4335 14.9109 14.9109 k = 0.1433 0.7496-0.0000 ( 1656 PWs) bands (ev): -3.8724 -3.8724 -3.3328 -3.3328 -0.9089 -0.9089 1.8269 1.8269 5.8723 5.8723 7.9785 7.9785 8.8284 8.8284 9.3186 9.3186 10.6259 10.6259 12.1554 12.1554 12.4213 12.4213 12.8263 12.8263 14.5742 14.5742 14.8653 14.8653 k = 0.1273 0.7496-0.0000 ( 1654 PWs) bands (ev): -3.8895 -3.8895 -3.3175 -3.3175 -0.8553 -0.8553 1.7368 1.7368 5.9522 5.9522 7.8456 7.8456 8.8156 8.8156 9.3351 9.3351 10.7182 10.7182 12.1815 12.1815 12.3982 12.3982 12.8247 12.8247 14.6774 14.6774 14.8334 14.8334 k = 0.1114 0.7496-0.0000 ( 1660 PWs) bands (ev): -3.9047 -3.9047 -3.3048 -3.3048 -0.8010 -0.8010 1.6495 1.6495 6.0395 6.0395 7.7122 7.7122 8.8043 8.8043 9.3494 9.3494 10.8003 10.8003 12.2078 12.2078 12.3779 12.3779 12.8283 12.8283 14.7069 14.7069 14.8395 14.8395 k = 0.0955 0.7496-0.0000 ( 1664 PWs) bands (ev): -3.9179 -3.9179 -3.2944 -3.2944 -0.7475 -0.7475 1.5668 1.5668 6.1334 6.1334 7.5788 7.5788 8.7944 8.7944 9.3615 9.3615 10.8716 10.8716 12.2332 12.2332 12.3603 12.3603 12.8360 12.8360 14.6831 14.6831 14.8599 14.8599 k = 0.0796 0.7496-0.0000 ( 1664 PWs) bands (ev): -3.9290 -3.9290 -3.2861 -3.2861 -0.6968 -0.6968 1.4909 1.4909 6.2332 6.2332 7.4459 7.4459 8.7860 8.7860 9.3716 9.3716 10.9317 10.9317 12.2568 12.2568 12.3454 12.3454 12.8466 12.8466 14.6494 14.6494 14.8615 14.8615 k = 0.0637 0.7496-0.0000 ( 1666 PWs) bands (ev): -3.9382 -3.9382 -3.2796 -3.2796 -0.6507 -0.6507 1.4240 1.4240 6.3383 6.3383 7.3140 7.3140 8.7791 8.7791 9.3796 9.3796 10.9807 10.9807 12.2776 12.2776 12.3333 12.3333 12.8586 12.8586 14.6175 14.6175 14.8482 14.8482 k = 0.0478 0.7496-0.0000 ( 1666 PWs) bands (ev): -3.9453 -3.9453 -3.2747 -3.2747 -0.6117 -0.6117 1.3686 1.3686 6.4480 6.4480 7.1836 7.1836 8.7737 8.7737 9.3858 9.3858 11.0186 11.0186 12.2946 12.2946 12.3243 12.3243 12.8704 12.8704 14.5906 14.5906 14.8294 14.8294 k = 0.0318 0.7496-0.0000 ( 1666 PWs) bands (ev): -3.9504 -3.9504 -3.2714 -3.2714 -0.5818 -0.5818 1.3270 1.3270 6.5617 6.5617 7.0553 7.0553 8.7699 8.7699 9.3902 9.3902 11.0455 11.0455 12.3059 12.3059 12.3192 12.3192 12.8802 12.8802 14.5704 14.5704 14.8118 14.8118 k = 0.0159 0.7496-0.0000 ( 1670 PWs) bands (ev): -3.9535 -3.9535 -3.2694 -3.2694 -0.5629 -0.5629 1.3010 1.3010 6.6780 6.6780 6.9302 6.9302 8.7676 8.7676 9.3928 9.3928 11.0615 11.0615 12.3087 12.3087 12.3204 12.3204 12.8867 12.8867 14.5579 14.5579 14.7998 14.7998 k = 0.0000 0.7496-0.0000 ( 1668 PWs) bands (ev): -3.9545 -3.9545 -3.2688 -3.2688 -0.5565 -0.5565 1.2922 1.2922 6.7740 6.7740 6.8313 6.8313 8.7668 8.7668 9.3936 9.3936 11.0668 11.0668 12.3084 12.3084 12.3222 12.3222 12.8890 12.8890 14.5536 14.5536 14.7956 14.7956 k = 0.0000 0.7496-0.0000 ( 1668 PWs) bands (ev): -3.9545 -3.9545 -3.2688 -3.2688 -0.5565 -0.5565 1.2922 1.2922 6.7740 6.7740 6.8313 6.8313 8.7668 8.7668 9.3936 9.3936 11.0668 11.0668 12.3084 12.3084 12.3222 12.3222 12.8890 12.8890 14.5536 14.5536 14.7956 14.7956 k = 0.0000 0.7496 0.0160 ( 1670 PWs) bands (ev): -3.9534 -3.9534 -3.2678 -3.2678 -0.5552 -0.5552 1.2936 1.2936 6.7731 6.7731 6.8320 6.8320 8.7531 8.7531 9.3838 9.3838 11.0672 11.0672 12.1354 12.1354 12.4915 12.4915 12.8985 12.8985 14.5479 14.5479 14.8090 14.8090 k = 0.0000 0.7496 0.0319 ( 1666 PWs) bands (ev): -3.9503 -3.9503 -3.2649 -3.2649 -0.5514 -0.5514 1.2976 1.2976 6.7703 6.7703 6.8340 6.8340 8.7128 8.7128 9.3550 9.3550 11.0672 11.0672 11.9516 11.9516 12.6641 12.6641 12.9274 12.9274 14.5294 14.5294 14.8507 14.8507 k = 0.0000 0.7496 0.0479 ( 1664 PWs) bands (ev): -3.9450 -3.9450 -3.2601 -3.2601 -0.5450 -0.5450 1.3043 1.3043 6.7656 6.7656 6.8373 6.8373 8.6479 8.6479 9.3084 9.3084 11.0647 11.0647 11.7636 11.7636 12.8319 12.8319 12.9784 12.9784 14.4976 14.4976 14.9217 14.9217 k = 0.0000 0.7496 0.0639 ( 1662 PWs) bands (ev): -3.9377 -3.9377 -3.2534 -3.2534 -0.5361 -0.5361 1.3136 1.3136 6.7586 6.7586 6.8419 6.8419 8.5616 8.5616 9.2460 9.2460 11.0564 11.0564 11.5716 11.5716 12.9824 12.9824 13.0652 13.0652 14.4545 14.4545 15.0196 15.0196 k = 0.0000 0.7496 0.0799 ( 1664 PWs) bands (ev): -3.9283 -3.9283 -3.2447 -3.2447 -0.5247 -0.5247 1.3257 1.3257 6.7490 6.7490 6.8476 6.8476 8.4573 8.4573 9.1705 9.1705 11.0392 11.0392 11.3759 11.3759 13.0943 13.0943 13.2099 13.2099 14.4040 14.4040 15.1406 15.1406 k = 0.0000 0.7496 0.0958 ( 1662 PWs) bands (ev): -3.9168 -3.9168 -3.2342 -3.2342 -0.5108 -0.5108 1.3404 1.3404 6.7362 6.7362 6.8543 6.8543 8.3382 8.3382 9.0845 9.0845 11.0107 11.0107 11.1773 11.1773 13.2009 13.2009 13.3789 13.3789 14.3496 14.3496 15.2802 15.2802 k = 0.0000 0.7496 0.1118 ( 1658 PWs) bands (ev): -3.9032 -3.9032 -3.2218 -3.2218 -0.4943 -0.4943 1.3577 1.3577 6.7196 6.7196 6.8617 6.8617 8.2077 8.2077 8.9911 8.9911 10.9634 10.9634 10.9823 10.9823 13.3190 13.3190 13.5541 13.5541 14.2944 14.2944 15.4342 15.4342 k = 0.0000 0.7496 0.1278 ( 1656 PWs) bands (ev): -3.8876 -3.8876 -3.2075 -3.2075 -0.4753 -0.4753 1.3778 1.3778 6.6985 6.6985 6.8696 6.8696 8.0684 8.0684 8.8930 8.8930 10.7714 10.7714 10.9168 10.9168 13.4496 13.4496 13.7325 13.7325 14.2409 14.2409 15.5987 15.5987 k = 0.0000 0.7496 0.1437 ( 1658 PWs) bands (ev): -3.8700 -3.8700 -3.1915 -3.1915 -0.4538 -0.4538 1.4005 1.4005 6.6719 6.6719 6.8775 6.8775 7.9231 7.9231 8.7931 8.7931 10.5669 10.5669 10.8497 10.8497 13.5900 13.5900 13.9124 13.9124 14.1922 14.1922 15.7698 15.7698 k = 0.0000 0.7496 0.1597 ( 1658 PWs) bands (ev): -3.8504 -3.8504 -3.1737 -3.1737 -0.4298 -0.4298 1.4259 1.4259 6.6387 6.6387 6.8845 6.8845 7.7740 7.7740 8.6942 8.6942 10.3613 10.3613 10.7707 10.7707 13.7348 13.7348 14.0888 14.0888 14.1574 14.1574 15.9437 15.9437 k = 0.0000 0.7496 0.1757 ( 1654 PWs) bands (ev): -3.8287 -3.8287 -3.1541 -3.1541 -0.4033 -0.4033 1.4539 1.4539 6.5979 6.5979 6.8894 6.8894 7.6241 7.6241 8.5986 8.5986 10.1552 10.1552 10.6810 10.6810 13.8674 13.8674 14.1306 14.1306 14.2815 14.2815 16.1158 16.1158 k = 0.0000 0.7496 0.1917 ( 1656 PWs) bands (ev): -3.8052 -3.8052 -3.1328 -3.1328 -0.3743 -0.3743 1.4845 1.4845 6.5485 6.5485 6.8894 6.8894 7.4770 7.4770 8.5087 8.5087 9.9491 9.9491 10.5817 10.5817 13.9383 13.9383 14.1873 14.1873 14.4617 14.4617 16.2800 16.2800 k = 0.0000 0.7496 0.2076 ( 1658 PWs) bands (ev): -3.7796 -3.7796 -3.1099 -3.1099 -0.3429 -0.3429 1.5179 1.5179 6.4894 6.4894 6.8787 6.8787 7.3392 7.3392 8.4264 8.4264 9.7434 9.7434 10.4744 10.4744 13.9360 13.9360 14.3242 14.3242 14.6412 14.6412 16.4276 16.4276 k = 0.0000 0.7496 0.2236 ( 1656 PWs) bands (ev): -3.7522 -3.7522 -3.0853 -3.0853 -0.3090 -0.3090 1.5538 1.5538 6.4201 6.4201 6.8455 6.8455 7.2233 7.2233 8.3533 8.3533 9.5385 9.5385 10.3604 10.3604 13.9100 13.9100 14.4907 14.4907 14.8174 14.8174 16.5466 16.5466 k = 0.0000 0.7496 0.2396 ( 1652 PWs) bands (ev): -3.7230 -3.7230 -3.0593 -3.0593 -0.2727 -0.2727 1.5924 1.5924 6.3401 6.3401 6.7738 6.7738 7.1456 7.1456 8.2903 8.2903 9.3345 9.3345 10.2412 10.2412 13.8789 13.8789 14.6664 14.6664 14.9879 14.9879 16.6253 16.6253 k = 0.0000 0.7496 0.2556 ( 1648 PWs) bands (ev): -3.6919 -3.6919 -3.0317 -3.0317 -0.2340 -0.2340 1.6336 1.6336 6.2496 6.2496 6.6625 6.6625 7.1076 7.1076 8.2379 8.2379 9.1320 9.1320 10.1181 10.1181 13.8470 13.8470 14.8451 14.8451 15.1495 15.1495 16.6618 16.6618 k = 0.0000 0.7496 0.2715 ( 1648 PWs) bands (ev): -3.6590 -3.6590 -3.0028 -3.0028 -0.1930 -0.1930 1.6774 1.6774 6.1492 6.1492 6.5273 6.5273 7.0935 7.0935 8.1960 8.1960 8.9312 8.9312 9.9925 9.9925 13.8153 13.8153 15.0236 15.0236 15.2978 15.2978 16.6677 16.6677 k = 0.0000 0.7496 0.2875 ( 1648 PWs) bands (ev): -3.6244 -3.6244 -2.9725 -2.9725 -0.1495 -0.1495 1.7239 1.7239 6.0396 6.0396 6.3815 6.3815 7.0900 7.0900 8.1638 8.1638 8.7326 8.7326 9.8657 9.8657 13.7840 13.7840 15.1997 15.1997 15.4263 15.4263 16.6609 16.6609 k = 0.0000 0.7496 0.3035 ( 1652 PWs) bands (ev): -3.5881 -3.5881 -2.9410 -2.9410 -0.1038 -0.1038 1.7729 1.7729 5.9219 5.9219 6.2315 6.2315 7.0905 7.0905 8.1397 8.1397 8.5374 8.5374 9.7391 9.7391 13.7529 13.7529 15.3708 15.3708 15.5269 15.5269 16.6592 16.6592 k = 0.0000 0.7496 0.3194 ( 1654 PWs) bands (ev): -3.5502 -3.5502 -2.9084 -2.9084 -0.0557 -0.0557 1.8245 1.8245 5.7975 5.7975 6.0806 6.0806 7.0913 7.0913 8.1190 8.1190 8.3494 8.3494 9.6141 9.6141 13.7218 13.7218 15.5291 15.5291 15.5961 15.5961 16.6780 16.6780 k = 0.0000 0.7496 0.3354 ( 1650 PWs) bands (ev): -3.5107 -3.5107 -2.8747 -2.8747 -0.0054 -0.0054 1.8787 1.8787 5.6674 5.6674 5.9304 5.9304 7.0903 7.0903 8.0720 8.0720 8.1978 8.1978 9.4920 9.4920 13.6904 13.6904 15.5926 15.5926 15.7086 15.7086 16.7265 16.7265 k = 0.0000 0.7496 0.3514 ( 1654 PWs) bands (ev): -3.4698 -3.4698 -2.8401 -2.8401 0.0472 0.0472 1.9354 1.9354 5.5327 5.5327 5.7821 5.7821 7.0856 7.0856 7.9257 7.9257 8.1546 8.1546 9.3744 9.3744 13.6584 13.6584 15.5711 15.5711 15.8551 15.8551 16.8048 16.8048 k = 0.0000 0.7496 0.3674 ( 1652 PWs) bands (ev): -3.4274 -3.4274 -2.8048 -2.8048 0.1020 0.1020 1.9947 1.9947 5.3947 5.3947 5.6363 5.6363 7.0757 7.0757 7.7451 7.7451 8.1542 8.1542 9.2627 9.2627 13.6256 13.6256 15.5132 15.5132 15.9944 15.9944 16.9058 16.9058 k = 0.0000 0.7496 0.3833 ( 1652 PWs) bands (ev): -3.3837 -3.3837 -2.7688 -2.7688 0.1589 0.1589 2.0564 2.0564 5.2541 5.2541 5.4937 5.4937 7.0591 7.0591 7.5616 7.5616 8.1647 8.1647 9.1586 9.1586 13.5917 13.5917 15.4308 15.4308 16.1230 16.1230 17.0209 17.0209 k = 0.0000 0.7496 0.3993 ( 1656 PWs) bands (ev): -3.3388 -3.3388 -2.7323 -2.7323 0.2179 0.2179 2.1207 2.1207 5.1118 5.1118 5.3547 5.3547 7.0340 7.0340 7.3794 7.3794 8.1814 8.1814 9.0636 9.0636 13.5567 13.5567 15.3320 15.3320 16.2398 16.2398 17.1432 17.1432 k = 0.0000 0.7496 0.4153 ( 1658 PWs) bands (ev): -3.2927 -3.2927 -2.6955 -2.6955 0.2790 0.2790 2.1874 2.1874 4.9686 4.9686 5.2197 5.2197 6.9988 6.9988 7.2002 7.2002 8.2026 8.2026 8.9790 8.9790 13.5203 13.5203 15.2223 15.2223 16.3448 16.3448 17.2675 17.2675 k = 0.0000 0.7496 0.4312 ( 1656 PWs) bands (ev): -3.2455 -3.2455 -2.6586 -2.6586 0.3420 0.3420 2.2565 2.2565 4.8250 4.8250 5.0891 5.0891 6.9480 6.9480 7.0287 7.0287 8.2276 8.2276 8.9060 8.9060 13.4827 13.4827 15.1056 15.1056 16.4384 16.4384 17.3904 17.3904 k = 0.0000 0.7496 0.4472 ( 1658 PWs) bands (ev): -3.1974 -3.1974 -2.6217 -2.6217 0.4070 0.4070 2.3280 2.3280 4.6816 4.6816 4.9634 4.9634 6.8328 6.8328 6.9136 6.9136 8.2556 8.2556 8.8452 8.8452 13.4439 13.4439 14.9845 14.9845 16.5216 16.5216 17.5095 17.5095 k = 0.0000 0.7496 0.4632 ( 1654 PWs) bands (ev): -3.1486 -3.1486 -2.5850 -2.5850 0.4739 0.4739 2.4017 2.4017 4.5389 4.5389 4.8429 4.8429 6.6667 6.6667 6.8414 6.8414 8.2862 8.2862 8.7968 8.7968 13.4040 13.4040 14.8608 14.8608 16.5956 16.5956 17.6227 17.6227 k = 0.0000 0.7496 0.4792 ( 1654 PWs) bands (ev): -3.0990 -3.0990 -2.5489 -2.5489 0.5426 0.5426 2.4777 2.4777 4.3974 4.3974 4.7280 4.7280 6.4993 6.4993 6.7629 6.7629 8.3189 8.3189 8.7604 8.7604 13.3631 13.3631 14.7359 14.7359 16.6622 16.6622 17.7286 17.7286 k = 0.0000 0.7496 0.4951 ( 1652 PWs) bands (ev): -3.0489 -3.0489 -2.5134 -2.5134 0.6130 0.6130 2.5557 2.5557 4.2574 4.2574 4.6190 4.6190 6.3345 6.3345 6.6752 6.6752 8.3534 8.3534 8.7352 8.7352 13.3217 13.3217 14.6110 14.6110 16.7229 16.7229 17.8259 17.8259 k = 0.0000 0.7496 0.5111 ( 1650 PWs) bands (ev): -2.9984 -2.9984 -2.4789 -2.4789 0.6851 0.6851 2.6357 2.6357 4.1195 4.1195 4.5164 4.5164 6.1731 6.1731 6.5789 6.5789 8.3892 8.3892 8.7201 8.7201 13.2799 13.2799 14.4869 14.4869 16.7793 16.7793 17.9134 17.9134 k = 0.0000 0.7496 0.5271 ( 1654 PWs) bands (ev): -2.9477 -2.9477 -2.4456 -2.4456 0.7587 0.7587 2.7173 2.7173 3.9840 3.9840 4.4205 4.4205 6.0154 6.0154 6.4751 6.4751 8.4260 8.4260 8.7136 8.7136 13.2382 13.2382 14.3644 14.3644 16.8327 16.8327 17.9899 17.9899 k = 0.0000 0.7496 0.5431 ( 1658 PWs) bands (ev): -2.8970 -2.8970 -2.4139 -2.4139 0.8339 0.8339 2.8001 2.8001 3.8517 3.8517 4.3317 4.3317 5.8617 5.8617 6.3650 6.3650 8.4634 8.4634 8.7144 8.7144 13.1971 13.1971 14.2440 14.2440 16.8843 16.8843 18.0544 18.0544 k = 0.0000 0.7496 0.5590 ( 1658 PWs) bands (ev): -2.8465 -2.8465 -2.3839 -2.3839 0.9104 0.9104 2.8831 2.8831 3.7235 3.7235 4.2505 4.2505 5.7122 5.7122 6.2499 6.2499 8.5012 8.5012 8.7211 8.7211 13.1569 13.1569 14.1263 14.1263 16.9352 16.9352 18.1062 18.1062 k = 0.0000 0.7496 0.5750 ( 1656 PWs) bands (ev): -2.7963 -2.7963 -2.3560 -2.3560 0.9882 0.9882 2.9645 2.9645 3.6014 3.6014 4.1771 4.1771 5.5674 5.5674 6.1308 6.1308 8.5390 8.5390 8.7323 8.7323 13.1184 13.1184 14.0119 14.0119 16.9860 16.9860 18.1447 18.1447 k = 0.0000 0.7496 0.5910 ( 1652 PWs) bands (ev): -2.7467 -2.7467 -2.3304 -2.3304 1.0673 1.0673 3.0390 3.0390 3.4907 3.4907 4.1119 4.1119 5.4275 5.4275 6.0088 6.0088 8.5764 8.5764 8.7468 8.7468 13.0819 13.0819 13.9013 13.9013 17.0373 17.0373 18.1698 18.1698 k = 0.0000 0.7496 0.6069 ( 1652 PWs) bands (ev): -2.6979 -2.6979 -2.3075 -2.3075 1.1475 1.1475 3.0906 3.0906 3.4074 3.4074 4.0553 4.0553 5.2929 5.2929 5.8847 5.8847 8.6131 8.6131 8.7635 8.7635 13.0480 13.0480 13.7948 13.7948 17.0896 17.0896 18.1815 18.1815 k = 0.0000 0.7496 0.6229 ( 1652 PWs) bands (ev): -2.6503 -2.6503 -2.2875 -2.2875 1.2289 1.2289 3.0826 3.0826 3.3880 3.3880 4.0076 4.0076 5.1642 5.1642 5.7594 5.7594 8.6488 8.6488 8.7815 8.7815 13.0175 13.0175 13.6929 13.6929 17.1432 17.1432 18.1807 18.1807 k = 0.0000 0.7496 0.6389 ( 1658 PWs) bands (ev): -2.6039 -2.6039 -2.2708 -2.2708 1.3112 1.3112 3.0110 3.0110 3.4363 3.4363 3.9690 3.9690 5.0418 5.0418 5.6335 5.6335 8.6832 8.6832 8.7998 8.7998 12.9908 12.9908 13.5960 13.5960 17.1982 17.1982 18.1684 18.1684 k = 0.0000 0.7496 0.6549 ( 1660 PWs) bands (ev): -2.5591 -2.5591 -2.2574 -2.2574 1.3946 1.3946 2.9136 2.9136 3.5138 3.5138 3.9397 3.9397 4.9266 4.9266 5.5077 5.5077 8.7158 8.7158 8.8177 8.8177 12.9685 12.9685 13.5045 13.5045 17.2546 17.2546 18.1457 18.1457 k = 0.0000 0.7496 0.6708 ( 1660 PWs) bands (ev): -2.5162 -2.5162 -2.2477 -2.2477 1.4790 1.4790 2.8091 2.8091 3.6012 3.6012 3.9197 3.9197 4.8198 4.8198 5.3825 5.3825 8.7463 8.7463 8.8345 8.8345 12.9512 12.9512 13.4189 13.4189 17.3126 17.3126 18.1140 18.1140 k = 0.0000 0.7496 0.6868 ( 1662 PWs) bands (ev): -2.4755 -2.4755 -2.2418 -2.2418 1.5644 1.5644 2.7035 2.7035 3.6912 3.6912 3.9089 3.9089 4.7229 4.7229 5.2586 5.2586 8.7745 8.7745 8.8494 8.8494 12.9394 12.9394 13.3394 13.3394 17.3719 17.3719 18.0748 18.0748 k = 0.0000 0.7496 0.7028 ( 1662 PWs) bands (ev): -2.4372 -2.4372 -2.2398 -2.2398 1.6509 1.6509 2.5986 2.5986 3.7794 3.7794 3.9071 3.9071 4.6386 4.6386 5.1366 5.1366 8.7999 8.7999 8.8621 8.8621 12.9336 12.9336 13.2663 13.2663 17.4325 17.4325 18.0292 18.0292 k = 0.0000 0.7496 0.7187 ( 1662 PWs) bands (ev): -2.4016 -2.4016 -2.2419 -2.2419 1.7384 1.7384 2.4954 2.4954 3.8609 3.8609 3.9139 3.9139 4.5711 4.5711 5.0175 5.0175 8.8223 8.8223 8.8719 8.8719 12.9342 12.9342 13.2001 13.2001 17.4941 17.4941 17.9786 17.9786 k = 0.0000 0.7496 0.7347 ( 1658 PWs) bands (ev): -2.3690 -2.3690 -2.2482 -2.2482 1.8273 1.8273 2.3941 2.3941 3.9237 3.9237 3.9329 3.9329 4.5276 4.5276 4.9025 4.9025 8.8414 8.8414 8.8786 8.8786 12.9417 12.9417 13.1409 13.1409 17.5564 17.5564 17.9239 17.9239 k = 0.0000 0.7496 0.7507 ( 1662 PWs) bands (ev): -2.3396 -2.3396 -2.2585 -2.2585 1.9175 1.9175 2.2949 2.2949 3.9460 3.9460 3.9753 3.9753 4.5171 4.5171 4.7933 4.7933 8.8570 8.8570 8.8818 8.8818 12.9563 12.9563 13.0890 13.0890 17.6193 17.6193 17.8662 17.8662 k = 0.0000 0.7496 0.7667 ( 1662 PWs) bands (ev): -2.3136 -2.3136 -2.2730 -2.2730 2.0092 2.0092 2.1978 2.1978 3.9679 3.9679 3.9923 3.9923 4.5453 4.5453 4.6931 4.6931 8.8689 8.8689 8.8813 8.8813 12.9782 12.9782 13.0445 13.0445 17.6821 17.6821 17.8062 17.8062 k = 0.0000 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2914 -2.2914 -2.2914 -2.2914 2.1026 2.1026 2.1026 2.1026 3.9863 3.9863 3.9863 3.9863 4.6075 4.6075 4.6075 4.6075 8.8770 8.8770 8.8770 8.8770 13.0076 13.0076 13.0076 13.0076 17.7446 17.7446 17.7446 17.7446 k = 0.0000 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2914 -2.2914 -2.2914 -2.2914 2.1026 2.1026 2.1026 2.1026 3.9863 3.9863 3.9863 3.9863 4.6075 4.6075 4.6075 4.6075 8.8770 8.8770 8.8770 8.8770 13.0076 13.0076 13.0076 13.0076 17.7446 17.7446 17.7446 17.7446 k = 0.0159 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2914 -2.2914 -2.2912 -2.2912 2.1031 2.1031 2.1036 2.1036 3.9603 3.9603 3.9665 3.9665 4.6289 4.6289 4.6366 4.6366 8.8727 8.8727 8.8745 8.8745 13.0122 13.0122 13.0141 13.0141 17.7295 17.7295 17.7367 17.7367 k = 0.0318 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2911 -2.2911 -2.2908 -2.2908 2.1053 2.1053 2.1062 2.1062 3.8983 3.8983 3.9086 3.9086 4.6930 4.6930 4.7062 4.7062 8.8616 8.8616 8.8651 8.8651 13.0279 13.0279 13.0316 13.0316 17.6919 17.6919 17.7059 17.7059 k = 0.0478 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2907 -2.2907 -2.2902 -2.2902 2.1090 2.1090 2.1104 2.1104 3.8161 3.8161 3.8284 3.8284 4.7839 4.7839 4.8007 4.8007 8.8440 8.8440 8.8493 8.8493 13.0541 13.0541 13.0597 13.0597 17.6331 17.6331 17.6531 17.6531 k = 0.0637 0.7496 0.7826 ( 1662 PWs) bands (ev): -2.2900 -2.2900 -2.2894 -2.2894 2.1142 2.1142 2.1161 2.1161 3.7244 3.7244 3.7375 3.7375 4.8900 4.8900 4.9092 4.9092 8.8206 8.8206 8.8276 8.8276 13.0904 13.0904 13.0979 13.0979 17.5550 17.5550 17.5799 17.5799 k = 0.0796 0.7496 0.7826 ( 1658 PWs) bands (ev): -2.2892 -2.2892 -2.2884 -2.2884 2.1207 2.1207 2.1230 2.1230 3.6292 3.6292 3.6426 3.6426 5.0046 5.0046 5.0256 5.0256 8.7919 8.7919 8.8008 8.8008 13.1359 13.1359 13.1453 13.1453 17.4598 17.4598 17.4884 17.4884 k = 0.0955 0.7496 0.7826 ( 1662 PWs) bands (ev): -2.2883 -2.2883 -2.2873 -2.2873 2.1283 2.1283 2.1311 2.1311 3.5338 3.5338 3.5471 3.5471 5.1240 5.1240 5.1466 5.1466 8.7590 8.7590 8.7696 8.7696 13.1895 13.1895 13.2008 13.2008 17.3501 17.3501 17.3812 17.3812 k = 0.1114 0.7496 0.7826 ( 1662 PWs) bands (ev): -2.2873 -2.2873 -2.2862 -2.2862 2.1367 2.1367 2.1400 2.1400 3.4403 3.4403 3.4535 3.4535 5.2457 5.2457 5.2698 5.2698 8.7227 8.7227 8.7352 8.7352 13.2501 13.2501 13.2633 13.2633 17.2286 17.2286 17.2611 17.2611 k = 0.1273 0.7496 0.7826 ( 1658 PWs) bands (ev): -2.2863 -2.2863 -2.2850 -2.2850 2.1457 2.1457 2.1494 2.1494 3.3503 3.3503 3.3631 3.3631 5.3680 5.3680 5.3936 5.3936 8.6844 8.6844 8.6986 8.6986 13.3161 13.3161 13.3313 13.3313 17.0982 17.0982 17.1311 17.1311 k = 0.1433 0.7496 0.7826 ( 1656 PWs) bands (ev): -2.2853 -2.2853 -2.2839 -2.2839 2.1547 2.1547 2.1589 2.1589 3.2648 3.2648 3.2773 3.2773 5.4896 5.4896 5.5166 5.5166 8.6452 8.6452 8.6613 8.6613 13.3860 13.3860 13.4032 13.4032 16.9619 16.9619 16.9943 16.9943 k = 0.1592 0.7496 0.7826 ( 1658 PWs) bands (ev): -2.2845 -2.2845 -2.2830 -2.2830 2.1632 2.1632 2.1678 2.1678 3.1851 3.1851 3.1972 3.1972 5.6089 5.6089 5.6375 5.6375 8.6065 8.6065 8.6245 8.6245 13.4577 13.4577 13.4770 13.4770 16.8227 16.8227 16.8540 16.8540 k = 0.1751 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2838 -2.2838 -2.2822 -2.2822 2.1704 2.1704 2.1754 2.1754 3.1123 3.1123 3.1239 3.1239 5.7248 5.7248 5.7549 5.7549 8.5698 8.5698 8.5897 8.5897 13.5291 13.5291 13.5507 13.5507 16.6839 16.6839 16.7135 16.7135 k = 0.1910 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2834 -2.2834 -2.2816 -2.2816 2.1754 2.1754 2.1809 2.1809 3.0476 3.0476 3.0588 3.0588 5.8356 5.8356 5.8673 5.8673 8.5367 8.5367 8.5584 8.5584 13.5975 13.5975 13.6214 13.6214 16.5490 16.5490 16.5766 16.5766 k = 0.2069 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2833 -2.2833 -2.2815 -2.2815 2.1773 2.1773 2.1831 2.1831 2.9923 2.9923 3.0031 3.0031 5.9399 5.9399 5.9732 5.9732 8.5087 8.5087 8.5324 8.5324 13.6599 13.6599 13.6862 13.6862 16.4218 16.4218 16.4472 16.4472 k = 0.2229 0.7496 0.7826 ( 1658 PWs) bands (ev): -2.2836 -2.2836 -2.2818 -2.2818 2.1750 2.1750 2.1811 2.1811 2.9477 2.9477 2.9581 2.9581 6.0360 6.0360 6.0709 6.0709 8.4878 8.4878 8.5132 8.5132 13.7129 13.7129 13.7416 13.7416 16.3066 16.3066 16.3296 16.3296 k = 0.2388 0.7496 0.7826 ( 1656 PWs) bands (ev): -2.2845 -2.2845 -2.2826 -2.2826 2.1677 2.1677 2.1741 2.1741 2.9146 2.9146 2.9248 2.9248 6.1222 6.1222 6.1585 6.1585 8.4754 8.4754 8.5024 8.5024 13.7526 13.7526 13.7837 13.7837 16.2075 16.2075 16.2281 16.2281 k = 0.2547 0.7496 0.7826 ( 1658 PWs) bands (ev): -2.2859 -2.2859 -2.2840 -2.2840 2.1551 2.1551 2.1616 2.1616 2.8937 2.8937 2.9038 2.9038 6.1970 6.1970 6.2345 6.2345 8.4731 8.4731 8.5016 8.5016 13.7755 13.7755 13.8088 13.8088 16.1287 16.1287 16.1473 16.1473 k = 0.2706 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2881 -2.2881 -2.2862 -2.2862 2.1375 2.1375 2.1439 2.1439 2.8849 2.8849 2.8949 2.8949 6.2590 6.2590 6.2973 6.2973 8.4822 8.4822 8.5116 8.5116 13.7786 13.7786 13.8137 13.8137 16.0736 16.0736 16.0907 16.0907 k = 0.2865 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2911 -2.2911 -2.2891 -2.2891 2.1156 2.1156 2.1220 2.1220 2.8874 2.8874 2.8974 2.8974 6.3073 6.3073 6.3461 6.3461 8.5031 8.5031 8.5332 8.5332 13.7604 13.7604 13.7966 13.7966 16.0441 16.0441 16.0604 16.0604 k = 0.2865 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2911 -2.2911 -2.2891 -2.2891 2.1156 2.1156 2.1220 2.1220 2.8874 2.8874 2.8974 2.8974 6.3073 6.3073 6.3461 6.3461 8.5031 8.5031 8.5332 8.5332 13.7604 13.7604 13.7966 13.7966 16.0441 16.0441 16.0604 16.0604 k = 0.2808 0.7346 0.7826 ( 1660 PWs) bands (ev): -2.2830 -2.2830 -2.2810 -2.2810 2.1776 2.1776 2.1845 2.1845 2.8746 2.8746 2.8843 2.8843 6.1923 6.1923 6.2304 6.2304 8.4271 8.4271 8.4561 8.4561 13.8420 13.8420 13.8758 13.8758 16.0932 16.0932 16.1107 16.1107 k = 0.2751 0.7196 0.7826 ( 1664 PWs) bands (ev): -2.2779 -2.2779 -2.2759 -2.2759 2.2287 2.2287 2.2362 2.2362 2.8820 2.8820 2.8913 2.8913 6.0805 6.0805 6.1180 6.1180 8.3511 8.3511 8.3790 8.3790 13.9237 13.9237 13.9551 13.9551 16.1467 16.1467 16.1656 16.1656 k = 0.2693 0.7046 0.7826 ( 1664 PWs) bands (ev): -2.2760 -2.2760 -2.2740 -2.2740 2.2672 2.2672 2.2754 2.2754 2.9112 2.9112 2.9201 2.9201 5.9720 5.9720 6.0090 6.0090 8.2751 8.2751 8.3020 8.3020 14.0053 14.0053 14.0345 14.0345 16.2042 16.2042 16.2244 16.2244 k = 0.2636 0.6896 0.7826 ( 1660 PWs) bands (ev): -2.2774 -2.2774 -2.2753 -2.2753 2.2939 2.2939 2.3026 2.3026 2.9614 2.9614 2.9700 2.9700 5.8672 5.8672 5.9037 5.9037 8.1994 8.1994 8.2252 8.2252 14.0870 14.0870 14.1140 14.1140 16.2653 16.2653 16.2866 16.2866 k = 0.2579 0.6746 0.7826 ( 1652 PWs) bands (ev): -2.2820 -2.2820 -2.2800 -2.2800 2.3115 2.3115 2.3207 2.3207 3.0296 3.0296 3.0381 3.0381 5.7663 5.7663 5.8023 5.8023 8.1241 8.1241 8.1489 8.1489 14.1687 14.1687 14.1935 14.1935 16.3294 16.3294 16.3518 16.3518 k = 0.2521 0.6596 0.7826 ( 1656 PWs) bands (ev): -2.2900 -2.2900 -2.2879 -2.2879 2.3236 2.3236 2.3331 2.3331 3.1120 3.1120 3.1205 3.1205 5.6697 5.6697 5.7053 5.7053 8.0493 8.0493 8.0732 8.0732 14.2503 14.2503 14.2731 14.2731 16.3958 16.3958 16.4191 16.4191 k = 0.2464 0.6447 0.7826 ( 1656 PWs) bands (ev): -2.3012 -2.3012 -2.2992 -2.2992 2.3333 2.3333 2.3430 2.3430 3.2051 3.2051 3.2138 3.2138 5.5775 5.5775 5.6128 5.6128 7.9753 7.9753 7.9983 7.9983 14.3316 14.3316 14.3526 14.3526 16.4638 16.4638 16.4879 16.4879 k = 0.2407 0.6297 0.7826 ( 1656 PWs) bands (ev): -2.3157 -2.3157 -2.3136 -2.3136 2.3428 2.3428 2.3526 2.3526 3.3062 3.3062 3.3151 3.3151 5.4904 5.4904 5.5253 5.5253 7.9023 7.9023 7.9243 7.9243 14.4126 14.4126 14.4318 14.4318 16.5326 16.5326 16.5572 16.5572 k = 0.2350 0.6147 0.7826 ( 1656 PWs) bands (ev): -2.3333 -2.3333 -2.3312 -2.3312 2.3535 2.3535 2.3634 2.3634 3.4134 3.4134 3.4226 3.4226 5.4086 5.4086 5.4432 5.4432 7.8303 7.8303 7.8515 7.8515 14.4930 14.4930 14.5104 14.5104 16.6011 16.6011 16.6261 16.6261 k = 0.2292 0.5997 0.7826 ( 1656 PWs) bands (ev): -2.3538 -2.3538 -2.3518 -2.3518 2.3661 2.3661 2.3760 2.3760 3.5251 3.5251 3.5348 3.5348 5.3327 5.3327 5.3671 5.3671 7.7597 7.7597 7.7799 7.7799 14.5724 14.5724 14.5883 14.5883 16.6683 16.6683 16.6931 16.6931 k = 0.2235 0.5847 0.7826 ( 1652 PWs) bands (ev): -2.3771 -2.3771 -2.3751 -2.3751 2.3808 2.3808 2.3907 2.3907 3.6403 3.6403 3.6504 3.6504 5.2634 5.2634 5.2975 5.2975 7.6906 7.6906 7.7099 7.7099 14.6507 14.6507 14.6651 14.6651 16.7325 16.7325 16.7567 16.7567 k = 0.2178 0.5697 0.7826 ( 1652 PWs) bands (ev): -2.4030 -2.4030 -2.4011 -2.4011 2.3977 2.3977 2.4074 2.4074 3.7578 3.7578 3.7685 3.7685 5.2016 5.2016 5.2354 5.2354 7.6231 7.6231 7.6416 7.6416 14.7272 14.7272 14.7403 14.7403 16.7920 16.7920 16.8151 16.8151 k = 0.2120 0.5547 0.7826 ( 1648 PWs) bands (ev): -2.4313 -2.4313 -2.4294 -2.4294 2.4163 2.4163 2.4260 2.4260 3.8767 3.8767 3.8879 3.8879 5.1483 5.1483 5.1818 5.1818 7.5576 7.5576 7.5751 7.5751 14.8013 14.8013 14.8133 14.8133 16.8448 16.8448 16.8659 16.8659 k = 0.2063 0.5397 0.7826 ( 1652 PWs) bands (ev): -2.4617 -2.4617 -2.4599 -2.4599 2.4363 2.4363 2.4458 2.4458 3.9957 3.9957 4.0072 4.0072 5.1048 5.1048 5.1379 5.1379 7.4943 7.4943 7.5108 7.5108 14.8725 14.8725 14.8835 14.8835 16.8884 16.8884 16.9065 16.9065 k = 0.2006 0.5247 0.7826 ( 1652 PWs) bands (ev): -2.4940 -2.4940 -2.4923 -2.4923 2.4570 2.4570 2.4663 2.4663 4.1131 4.1131 4.1248 4.1248 5.0733 5.0733 5.1056 5.1056 7.4334 7.4334 7.4488 7.4488 14.9397 14.9397 14.9499 14.9499 16.9201 16.9201 16.9339 16.9339 k = 0.1948 0.5097 0.7826 ( 1652 PWs) bands (ev): -2.5280 -2.5280 -2.5263 -2.5263 2.4778 2.4778 2.4869 2.4869 4.2266 4.2266 4.2382 4.2382 5.0564 5.0564 5.0874 5.0874 7.3751 7.3751 7.3894 7.3894 15.0017 15.0017 15.0115 15.0115 16.9371 16.9371 16.9453 16.9453 k = 0.1891 0.4947 0.7826 ( 1648 PWs) bands (ev): -2.5634 -2.5634 -2.5618 -2.5618 2.4979 2.4979 2.5068 2.5068 4.3333 4.3333 4.3437 4.3437 5.0578 5.0578 5.0865 5.0865 7.3199 7.3199 7.3330 7.3330 15.0572 15.0572 15.0668 15.0668 16.9371 16.9371 16.9381 16.9381 k = 0.1834 0.4797 0.7826 ( 1650 PWs) bands (ev): -2.6000 -2.6000 -2.5984 -2.5984 2.5167 2.5167 2.5252 2.5252 4.4293 4.4293 4.4374 4.4374 5.0819 5.0819 5.1068 5.1068 7.2680 7.2680 7.2798 7.2798 15.1043 15.1043 15.1142 15.1142 16.9108 16.9108 16.9182 16.9182 k = 0.1776 0.4647 0.7826 ( 1654 PWs) bands (ev): -2.6374 -2.6374 -2.6359 -2.6359 2.5335 2.5335 2.5415 2.5415 4.5114 4.5114 4.5157 4.5157 5.1321 5.1321 5.1516 5.1516 7.2199 7.2199 7.2303 7.2303 15.1409 15.1409 15.1514 15.1514 16.8632 16.8632 16.8801 16.8801 k = 0.1719 0.4498 0.7826 ( 1654 PWs) bands (ev): -2.6756 -2.6756 -2.6742 -2.6742 2.5475 2.5475 2.5551 2.5551 4.5785 4.5785 4.5788 4.5788 5.2085 5.2085 5.2216 5.2216 7.1762 7.1762 7.1849 7.1849 15.1642 15.1642 15.1758 15.1758 16.7967 16.7967 16.8239 16.8239 k = 0.1662 0.4348 0.7826 ( 1650 PWs) bands (ev): -2.7142 -2.7142 -2.7128 -2.7128 2.5584 2.5584 2.5655 2.5655 4.6294 4.6294 4.6340 4.6340 5.3074 5.3074 5.3140 5.3140 7.1375 7.1375 7.1442 7.1442 15.1713 15.1713 15.1846 15.1846 16.7141 16.7141 16.7519 16.7519 k = 0.1605 0.4198 0.7826 ( 1650 PWs) bands (ev): -2.7531 -2.7531 -2.7518 -2.7518 2.5658 2.5658 2.5723 2.5723 4.6735 4.6735 4.6817 4.6817 5.4228 5.4228 5.4233 5.4233 7.1044 7.1044 7.1090 7.1090 15.1591 15.1591 15.1744 15.1744 16.6188 16.6188 16.6669 16.6669 k = 0.1547 0.4048 0.7826 ( 1654 PWs) bands (ev): -2.7921 -2.7921 -2.7908 -2.7908 2.5695 2.5695 2.5754 2.5754 4.7154 4.7154 4.7261 4.7261 5.5443 5.5443 5.5493 5.5493 7.0782 7.0782 7.0801 7.0801 15.1249 15.1249 15.1424 15.1424 16.5138 16.5138 16.5714 16.5714 k = 0.1490 0.3898 0.7826 ( 1658 PWs) bands (ev): -2.8309 -2.8309 -2.8297 -2.8297 2.5694 2.5694 2.5747 2.5747 4.7579 4.7579 4.7705 4.7705 5.6724 5.6724 5.6826 5.6826 7.0588 7.0588 7.0600 7.0600 15.0667 15.0667 15.0864 15.0864 16.4007 16.4007 16.4664 16.4664 k = 0.1433 0.3748 0.7826 ( 1650 PWs) bands (ev): -2.8694 -2.8694 -2.8683 -2.8683 2.5657 2.5657 2.5704 2.5704 4.8025 4.8025 4.8163 4.8163 5.8039 5.8039 5.8195 5.8195 7.0465 7.0465 7.0516 7.0516 14.9840 14.9840 15.0054 15.0054 16.2799 16.2799 16.3515 16.3515 k = 0.1375 0.3598 0.7826 ( 1654 PWs) bands (ev): -2.9075 -2.9075 -2.9064 -2.9064 2.5585 2.5585 2.5626 2.5626 4.8497 4.8497 4.8642 4.8642 5.9356 5.9356 5.9567 5.9567 7.0454 7.0454 7.0551 7.0551 14.8780 14.8780 14.9006 14.9006 16.1499 16.1499 16.2250 16.2250 k = 0.1318 0.3448 0.7826 ( 1654 PWs) bands (ev): -2.9449 -2.9449 -2.9439 -2.9439 2.5483 2.5483 2.5518 2.5518 4.8992 4.8992 4.9141 4.9141 6.0644 6.0644 6.0914 6.0914 7.0582 7.0582 7.0732 7.0732 14.7511 14.7511 14.7741 14.7741 16.0090 16.0090 16.0848 16.0848 k = 0.1261 0.3298 0.7826 ( 1650 PWs) bands (ev): -2.9816 -2.9816 -2.9806 -2.9806 2.5353 2.5353 2.5383 2.5383 4.9503 4.9503 4.9653 4.9653 6.1870 6.1870 6.2202 6.2202 7.0883 7.0883 7.1091 7.1091 14.6064 14.6064 14.6293 14.6293 15.8556 15.8556 15.9300 15.9300 k = 0.1203 0.3148 0.7826 ( 1648 PWs) bands (ev): -3.0174 -3.0174 -3.0165 -3.0165 2.5201 2.5201 2.5226 2.5226 5.0020 5.0020 5.0169 5.0169 6.3008 6.3008 6.3398 6.3398 7.1393 7.1393 7.1658 7.1658 14.4473 14.4473 14.4696 14.4696 15.6894 15.6894 15.7607 15.7607 k = 0.1146 0.2998 0.7826 ( 1652 PWs) bands (ev): -3.0522 -3.0522 -3.0513 -3.0513 2.5030 2.5030 2.5050 2.5050 5.0531 5.0531 5.0677 5.0677 6.4042 6.4042 6.4476 6.4476 7.2140 7.2140 7.2452 7.2452 14.2770 14.2770 14.2985 14.2985 15.5108 15.5108 15.5782 15.5782 k = 0.1089 0.2848 0.7826 ( 1656 PWs) bands (ev): -3.0859 -3.0859 -3.0851 -3.0851 2.4846 2.4846 2.4861 2.4861 5.1024 5.1024 5.1166 5.1166 6.4976 6.4976 6.5435 6.5435 7.3133 7.3133 7.3475 7.3475 14.0983 14.0983 14.1187 14.1187 15.3212 15.3212 15.3843 15.3843 k = 0.1031 0.2699 0.7826 ( 1640 PWs) bands (ev): -3.1183 -3.1183 -3.1176 -3.1176 2.4651 2.4651 2.4663 2.4663 5.1489 5.1489 5.1623 5.1623 6.5836 6.5836 6.6298 6.6298 7.4349 7.4349 7.4703 7.4703 13.9136 13.9136 13.9329 13.9329 15.1224 15.1224 15.1812 15.1812 k = 0.0974 0.2549 0.7826 ( 1640 PWs) bands (ev): -3.1495 -3.1495 -3.1488 -3.1488 2.4450 2.4450 2.4459 2.4459 5.1914 5.1914 5.2040 5.2040 6.6657 6.6657 6.7107 6.7107 7.5752 7.5752 7.6104 7.6104 13.7248 13.7248 13.7431 13.7431 14.9159 14.9159 14.9706 14.9706 k = 0.0917 0.2399 0.7826 ( 1644 PWs) bands (ev): -3.1793 -3.1793 -3.1786 -3.1786 2.4246 2.4246 2.4252 2.4252 5.2294 5.2294 5.2410 5.2410 6.7473 6.7473 6.7902 6.7902 7.7299 7.7299 7.7642 7.7642 13.5338 13.5338 13.5509 13.5509 14.7034 14.7034 14.7542 14.7542 k = 0.0860 0.2249 0.7826 ( 1644 PWs) bands (ev): -3.2075 -3.2075 -3.2069 -3.2069 2.4042 2.4042 2.4046 2.4046 5.2624 5.2624 5.2729 5.2729 6.8311 6.8311 6.8713 6.8713 7.8956 7.8956 7.9286 7.9286 13.3420 13.3420 13.3580 13.3580 14.4861 14.4861 14.5334 14.5334 k = 0.0802 0.2099 0.7826 ( 1636 PWs) bands (ev): -3.2343 -3.2343 -3.2337 -3.2337 2.3841 2.3841 2.3844 2.3844 5.2903 5.2903 5.2997 5.2997 6.9186 6.9186 6.9560 6.9560 8.0696 8.0696 8.1014 8.1014 13.1507 13.1507 13.1657 13.1657 14.2652 14.2652 14.3093 14.3093 k = 0.0745 0.1949 0.7826 ( 1636 PWs) bands (ev): -3.2594 -3.2594 -3.2589 -3.2589 2.3646 2.3646 2.3647 2.3647 5.3133 5.3133 5.3216 5.3216 7.0104 7.0104 7.0450 7.0450 8.2502 8.2502 8.2809 8.2809 12.9613 12.9613 12.9751 12.9751 14.0417 14.0417 14.0828 14.0828 k = 0.0688 0.1799 0.7826 ( 1636 PWs) bands (ev): -3.2829 -3.2829 -3.2825 -3.2825 2.3457 2.3457 2.3458 2.3458 5.3317 5.3317 5.3390 5.3390 7.1063 7.1063 7.1382 7.1382 8.4360 8.4360 8.4657 8.4657 12.7749 12.7749 12.7876 12.7876 13.8164 13.8164 13.8549 13.8549 k = 0.0630 0.1649 0.7826 ( 1636 PWs) bands (ev): -3.3047 -3.3047 -3.3043 -3.3043 2.3278 2.3278 2.3279 2.3279 5.3462 5.3462 5.3524 5.3524 7.2058 7.2058 7.2350 7.2350 8.6259 8.6259 8.6548 8.6548 12.5929 12.5929 12.6043 12.6043 13.5902 13.5902 13.6261 13.6261 k = 0.0573 0.1499 0.7826 ( 1640 PWs) bands (ev): -3.3248 -3.3248 -3.3244 -3.3244 2.3110 2.3110 2.3112 2.3112 5.3571 5.3571 5.3624 5.3624 7.3075 7.3075 7.3342 7.3342 8.8192 8.8192 8.8475 8.8475 12.4164 12.4164 12.4266 12.4266 13.3636 13.3636 13.3972 13.3972 k = 0.0516 0.1349 0.7826 ( 1644 PWs) bands (ev): -3.3430 -3.3430 -3.3427 -3.3427 2.2954 2.2954 2.2956 2.2956 5.3653 5.3653 5.3697 5.3697 7.4103 7.4103 7.4345 7.4345 9.0152 9.0152 9.0430 9.0430 12.2470 12.2470 12.2557 12.2557 13.1375 13.1375 13.1688 13.1688 k = 0.0458 0.1199 0.7826 ( 1644 PWs) bands (ev): -3.3594 -3.3594 -3.3591 -3.3591 2.2812 2.2812 2.2814 2.2814 5.3711 5.3711 5.3748 5.3748 7.5123 7.5123 7.5342 7.5342 9.2131 9.2131 9.2405 9.2405 12.0862 12.0862 12.0933 12.0933 12.9125 12.9125 12.9416 12.9416 k = 0.0401 0.1049 0.7826 ( 1644 PWs) bands (ev): -3.3740 -3.3740 -3.3737 -3.3737 2.2684 2.2684 2.2687 2.2687 5.3751 5.3751 5.3782 5.3782 7.6116 7.6116 7.6311 7.6311 9.4122 9.4122 9.4394 9.4394 11.9360 11.9360 11.9411 11.9411 12.6896 12.6896 12.7164 12.7164 k = 0.0344 0.0900 0.7826 ( 1640 PWs) bands (ev): -3.3866 -3.3866 -3.3864 -3.3864 2.2573 2.2573 2.2575 2.2575 5.3778 5.3778 5.3803 5.3803 7.7060 7.7060 7.7231 7.7231 9.6114 9.6114 9.6384 9.6384 11.7983 11.7983 11.8011 11.8011 12.4699 12.4699 12.4943 12.4943 k = 0.0287 0.0750 0.7826 ( 1640 PWs) bands (ev): -3.3974 -3.3974 -3.3972 -3.3972 2.2477 2.2477 2.2479 2.2479 5.3795 5.3795 5.3814 5.3814 7.7930 7.7930 7.8076 7.8076 9.8092 9.8092 9.8359 9.8359 11.6754 11.6754 11.6755 11.6755 12.2553 12.2553 12.2769 12.2769 k = 0.0229 0.0600 0.7826 ( 1640 PWs) bands (ev): -3.4062 -3.4062 -3.4060 -3.4060 2.2398 2.2398 2.2400 2.2400 5.3805 5.3805 5.3820 5.3820 7.8699 7.8699 7.8820 7.8820 10.0029 10.0029 10.0290 10.0290 11.5666 11.5666 11.5702 11.5702 12.0487 12.0487 12.0668 12.0668 k = 0.0172 0.0450 0.7826 ( 1640 PWs) bands (ev): -3.4131 -3.4131 -3.4130 -3.4130 2.2336 2.2336 2.2338 2.2338 5.3810 5.3810 5.3821 5.3821 7.9340 7.9340 7.9433 7.9433 10.1878 10.1878 10.2126 10.2126 11.4769 11.4769 11.4848 11.4848 11.8557 11.8557 11.8691 11.8691 k = 0.0115 0.0300 0.7826 ( 1640 PWs) bands (ev): -3.4180 -3.4180 -3.4179 -3.4179 2.2292 2.2292 2.2293 2.2293 5.3814 5.3814 5.3821 5.3821 7.9827 7.9827 7.9890 7.9890 10.3543 10.3543 10.3758 10.3758 11.4090 11.4090 11.4212 11.4212 11.6871 11.6871 11.6940 11.6940 k = 0.0057 0.0150 0.7826 ( 1644 PWs) bands (ev): -3.4209 -3.4209 -3.4209 -3.4209 2.2265 2.2265 2.2266 2.2266 5.3816 5.3816 5.3819 5.3819 8.0135 8.0135 8.0167 8.0167 10.4824 10.4824 10.4963 10.4963 11.3667 11.3667 11.3791 11.3791 11.5637 11.5637 11.5638 11.5638 k = 0.0000 0.0000 0.7826 ( 1644 PWs) bands (ev): -3.4219 -3.4219 -3.4219 -3.4219 2.2257 2.2257 2.2257 2.2257 5.3818 5.3818 5.3818 5.3818 8.0251 8.0251 8.0251 8.0251 10.5381 10.5381 10.5381 10.5381 11.3574 11.3574 11.3574 11.3574 11.5153 11.5153 11.5153 11.5153 k = 0.0000 0.0000 0.7826 ( 1644 PWs) bands (ev): -3.4219 -3.4219 -3.4219 -3.4219 2.2257 2.2257 2.2257 2.2257 5.3818 5.3818 5.3818 5.3818 8.0251 8.0251 8.0251 8.0251 10.5381 10.5381 10.5381 10.5381 11.3574 11.3574 11.3574 11.3574 11.5153 11.5153 11.5153 11.5153 k = 0.0000 0.0000 0.7667 ( 1644 PWs) bands (ev): -3.5164 -3.5164 -3.3278 -3.3278 2.1450 2.1450 2.3105 2.3105 5.2821 5.2821 5.4818 5.4818 7.9954 7.9954 8.0470 8.0470 10.4696 10.4696 10.5904 10.5904 11.3214 11.3214 11.3982 11.3982 11.5152 11.5152 11.5463 11.5463 k = 0.0000 0.0000 0.7507 ( 1644 PWs) bands (ev): -3.6110 -3.6110 -3.2343 -3.2343 2.0688 2.0688 2.3992 2.3992 5.1832 5.1832 5.5818 5.5818 7.9585 7.9585 8.0608 8.0608 10.3912 10.3912 10.6190 10.6190 11.3096 11.3096 11.4194 11.4194 11.5636 11.5636 11.5956 11.5956 k = 0.0000 0.0000 0.7347 ( 1640 PWs) bands (ev): -3.7054 -3.7054 -3.1419 -3.1419 1.9975 1.9975 2.4913 2.4913 5.0851 5.0851 5.6817 5.6817 7.9151 7.9151 8.0662 8.0662 10.3074 10.3074 10.6202 10.6202 11.3294 11.3294 11.4320 11.4320 11.6432 11.6432 11.6615 11.6615 k = 0.0000 0.0000 0.7187 ( 1640 PWs) bands (ev): -3.7995 -3.7995 -3.0507 -3.0507 1.9314 1.9314 2.5865 2.5865 4.9882 4.9882 5.7810 5.7810 7.8660 7.8660 8.0632 8.0632 10.2209 10.2209 10.5971 10.5971 11.3779 11.3779 11.4525 11.4525 11.7258 11.7258 11.7520 11.7520 k = 0.0000 0.0000 0.7028 ( 1640 PWs) bands (ev): -3.8930 -3.8930 -2.9613 -2.9613 1.8711 1.8711 2.6845 2.6845 4.8928 4.8928 5.8794 5.8794 7.8119 7.8119 8.0519 8.0519 10.1336 10.1336 10.5574 10.5574 11.4433 11.4433 11.4897 11.4897 11.8120 11.8120 11.8588 11.8588 k = 0.0000 0.0000 0.6868 ( 1636 PWs) bands (ev): -3.9858 -3.9858 -2.8740 -2.8740 1.8169 1.8169 2.7847 2.7847 4.7992 4.7992 5.9765 5.9765 7.7536 7.7536 8.0328 8.0328 10.0465 10.0465 10.5089 10.5089 11.5041 11.5041 11.5592 11.5592 11.9066 11.9066 11.9736 11.9736 k = 0.0000 0.0000 0.6708 ( 1636 PWs) bands (ev): -4.0777 -4.0777 -2.7892 -2.7892 1.7691 1.7691 2.8868 2.8868 4.7077 4.7077 6.0719 6.0719 7.6918 7.6918 8.0064 8.0064 9.9604 9.9604 10.4569 10.4569 11.5617 11.5617 11.6543 11.6543 12.0097 12.0097 12.0940 12.0940 k = 0.0000 0.0000 0.6549 ( 1636 PWs) bands (ev): -4.1686 -4.1686 -2.7074 -2.7074 1.7284 1.7284 2.9901 2.9901 4.6188 4.6188 6.1651 6.1651 7.6271 7.6271 7.9733 7.9733 9.8758 9.8758 10.4050 10.4050 11.6272 11.6272 11.7604 11.7604 12.1208 12.1208 12.2192 12.2192 k = 0.0000 0.0000 0.6389 ( 1638 PWs) bands (ev): -4.2583 -4.2583 -2.6289 -2.6289 1.6950 1.6950 3.0939 3.0939 4.5332 4.5332 6.2558 6.2558 7.5603 7.5603 7.9344 7.9344 9.7933 9.7933 10.3555 10.3555 11.7023 11.7023 11.8728 11.8728 12.2392 12.2392 12.3485 12.3485 k = 0.0000 0.0000 0.6229 ( 1634 PWs) bands (ev): -4.3466 -4.3466 -2.5544 -2.5544 1.6695 1.6695 3.1972 3.1972 4.4517 4.4517 6.3432 6.3432 7.4918 7.4918 7.8905 7.8905 9.7130 9.7130 10.3102 10.3102 11.7869 11.7869 11.9898 11.9898 12.3644 12.3644 12.4814 12.4814 k = 0.0000 0.0000 0.6069 ( 1630 PWs) bands (ev): -4.4336 -4.4336 -2.4841 -2.4841 1.6522 1.6522 3.2983 3.2983 4.3759 4.3759 6.4271 6.4271 7.4221 7.4221 7.8422 7.8422 9.6352 9.6352 10.2700 10.2700 11.8804 11.8804 12.1101 12.1101 12.4959 12.4959 12.6177 12.6177 k = 0.0000 0.0000 0.5910 ( 1630 PWs) bands (ev): -4.5190 -4.5190 -2.4186 -2.4186 1.6435 1.6435 3.3947 3.3947 4.3080 4.3080 6.5067 6.5067 7.3517 7.3517 7.7903 7.7903 9.5602 9.5602 10.2361 10.2361 11.9822 11.9822 12.2331 12.2331 12.6332 12.6332 12.7570 12.7570 k = 0.0000 0.0000 0.5750 ( 1630 PWs) bands (ev): -4.6029 -4.6029 -2.3581 -2.3581 1.6438 1.6438 3.4822 3.4822 4.2522 4.2522 6.5816 6.5816 7.2811 7.2811 7.7356 7.7356 9.4883 9.4883 10.2090 10.2090 12.0915 12.0915 12.3582 12.3582 12.7761 12.7761 12.8993 12.8993 k = 0.0000 0.0000 0.5590 ( 1634 PWs) bands (ev): -4.6850 -4.6850 -2.3030 -2.3030 1.6534 1.6534 3.5539 3.5539 4.2150 4.2150 6.6512 6.6512 7.2104 7.2104 7.6787 7.6787 9.4195 9.4195 10.1893 10.1893 12.2077 12.2077 12.4851 12.4851 12.9240 12.9240 13.0443 13.0443 k = 0.0000 0.0000 0.5431 ( 1638 PWs) bands (ev): -4.7654 -4.7654 -2.2535 -2.2535 1.6723 1.6723 3.6008 3.6008 4.2055 4.2055 6.7151 6.7151 7.1401 7.1401 7.6201 7.6201 9.3542 9.3542 10.1776 10.1776 12.3302 12.3302 12.6134 12.6134 13.0768 13.0768 13.1917 13.1917 k = 0.0000 0.0000 0.5271 ( 1634 PWs) bands (ev): -4.8440 -4.8440 -2.2098 -2.2098 1.7006 1.7006 3.6158 3.6158 4.2302 4.2302 6.7726 6.7726 7.0706 7.0706 7.5604 7.5604 9.2924 9.2924 10.1742 10.1742 12.4584 12.4584 12.7428 12.7428 13.2341 13.2341 13.3416 13.3416 k = 0.0000 0.0000 0.5111 ( 1638 PWs) bands (ev): -4.9206 -4.9206 -2.1719 -2.1719 1.7384 1.7384 3.6012 3.6012 4.2870 4.2870 6.8232 6.8232 7.0025 7.0025 7.5001 7.5001 9.2345 9.2345 10.1793 10.1793 12.5918 12.5918 12.8729 12.8729 13.3957 13.3957 13.4936 13.4936 k = 0.0000 0.0000 0.4951 ( 1636 PWs) bands (ev): -4.9953 -4.9953 -2.1398 -2.1398 1.7855 1.7855 3.5656 3.5656 4.3666 4.3666 6.8641 6.8641 6.9384 6.9384 7.4395 7.4395 9.1806 9.1806 10.1928 10.1928 12.7299 12.7299 13.0037 13.0037 13.5614 13.5614 13.6477 13.6477 k = 0.0000 0.0000 0.4792 ( 1640 PWs) bands (ev): -5.0680 -5.0680 -2.1134 -2.1134 1.8417 1.8417 3.5177 3.5177 4.4602 4.4602 6.8561 6.8561 6.9175 6.9175 7.3791 7.3791 9.1309 9.1309 10.2147 10.2147 12.8722 12.8722 13.1347 13.1347 13.7310 13.7310 13.8037 13.8037 k = 0.0000 0.0000 0.4632 ( 1640 PWs) bands (ev): -5.1387 -5.1387 -2.0923 -2.0923 1.9066 1.9066 3.4633 3.4633 4.5616 4.5616 6.7958 6.7958 6.9436 6.9436 7.3192 7.3192 9.0857 9.0857 10.2447 10.2447 13.0184 13.0184 13.2658 13.2658 13.9041 13.9041 13.9616 13.9616 k = 0.0000 0.0000 0.4472 ( 1648 PWs) bands (ev): -5.2073 -5.2073 -2.0763 -2.0763 1.9797 1.9797 3.4056 3.4056 4.6672 4.6672 6.7327 6.7327 6.9673 6.9673 7.2602 7.2602 9.0453 9.0453 10.2823 10.2823 13.1681 13.1681 13.3966 13.3966 14.0804 14.0804 14.1213 14.1213 k = 0.0000 0.0000 0.4312 ( 1648 PWs) bands (ev): -5.2737 -5.2737 -2.0650 -2.0650 2.0606 2.0606 3.3468 3.3468 4.7747 4.7747 6.6705 6.6705 6.9850 6.9850 7.2025 7.2025 9.0098 9.0098 10.3270 10.3270 13.3207 13.3207 13.5270 13.5270 14.2585 14.2585 14.2840 14.2840 k = 0.0000 0.0000 0.4153 ( 1648 PWs) bands (ev): -5.3379 -5.3379 -2.0580 -2.0580 2.1487 2.1487 3.2880 3.2880 4.8824 4.8824 6.6097 6.6097 6.9962 6.9962 7.1469 7.1469 8.9796 8.9796 10.3781 10.3781 13.4759 13.4759 13.6565 13.6565 14.4330 14.4330 14.4546 14.4546 k = 0.0000 0.0000 0.3993 ( 1648 PWs) bands (ev): -5.4000 -5.4000 -2.0549 -2.0549 2.2434 2.2434 3.2298 3.2298 4.9893 4.9893 6.5506 6.5506 6.9994 6.9994 7.0954 7.0954 8.9548 8.9548 10.4346 10.4346 13.6331 13.6331 13.7852 13.7852 14.5994 14.5994 14.6374 14.6374 k = 0.0000 0.0000 0.3833 ( 1648 PWs) bands (ev): -5.4598 -5.4598 -2.0553 -2.0553 2.3441 2.3441 3.1727 3.1727 5.0943 5.0943 6.4934 6.4934 6.9890 6.9890 7.0543 7.0543 8.9359 8.9359 10.4958 10.4958 13.7915 13.7915 13.9129 13.9129 14.7633 14.7633 14.8261 14.8261 k = 0.0000 0.0000 0.3674 ( 1648 PWs) bands (ev): -5.5174 -5.5174 -2.0586 -2.0586 2.4500 2.4500 3.1172 3.1172 5.1967 5.1967 6.4380 6.4380 6.9567 6.9567 7.0323 7.0323 8.9229 8.9229 10.5605 10.5605 13.9492 13.9492 14.0405 14.0405 14.9267 14.9267 15.0184 15.0184 k = 0.0000 0.0000 0.3514 ( 1644 PWs) bands (ev): -5.5726 -5.5726 -2.0644 -2.0644 2.5605 2.5605 3.0634 3.0634 5.2958 5.2958 6.3846 6.3846 6.9120 6.9120 7.0206 7.0206 8.9161 8.9161 10.6278 10.6278 14.1013 14.1013 14.1717 14.1717 15.0896 15.0896 15.2136 15.2136 k = 0.0000 0.0000 0.3354 ( 1645 PWs) bands (ev): -5.6256 -5.6256 -2.0725 -2.0725 2.6749 2.6749 3.0114 3.0114 5.3910 5.3910 6.3332 6.3332 6.8648 6.8648 7.0100 7.0100 8.9158 8.9158 10.6967 10.6967 14.2373 14.2373 14.3154 14.3154 15.2517 15.2517 15.4115 15.4115 k = 0.0000 0.0000 0.3194 ( 1649 PWs) bands (ev): -5.6762 -5.6762 -2.0822 -2.0822 2.7926 2.7926 2.9615 2.9615 5.4817 5.4817 6.2840 6.2840 6.8181 6.8181 6.9981 6.9981 8.9220 8.9220 10.7660 10.7660 14.3546 14.3546 14.4722 14.4722 15.4125 15.4125 15.6116 15.6116 k = 0.0000 0.0000 0.3035 ( 1647 PWs) bands (ev): -5.7244 -5.7244 -2.0934 -2.0934 2.9095 2.9095 2.9169 2.9169 5.5675 5.5675 6.2369 6.2369 6.7727 6.7727 6.9846 6.9846 8.9347 8.9347 10.8348 10.8348 14.4574 14.4574 14.6347 14.6347 15.5711 15.5711 15.8134 15.8134 k = 0.0000 0.0000 0.2875 ( 1649 PWs) bands (ev): -5.7703 -5.7703 -2.1056 -2.1056 2.8679 2.8679 3.0349 3.0349 5.6480 5.6480 6.1920 6.1920 6.7290 6.7290 6.9695 6.9695 8.9540 8.9540 10.9020 10.9020 14.5453 14.5453 14.7992 14.7992 15.7264 15.7264 16.0120 16.0120 k = 0.0000 0.0000 0.2715 ( 1649 PWs) bands (ev): -5.8138 -5.8138 -2.1185 -2.1185 2.8246 2.8246 3.1580 3.1580 5.7228 5.7228 6.1494 6.1494 6.6873 6.6873 6.9532 6.9532 8.9796 8.9796 10.9666 10.9666 14.6141 14.6141 14.9640 14.9640 15.8766 15.8766 16.0322 16.0322 k = 0.0000 0.0000 0.2556 ( 1653 PWs) bands (ev): -5.8549 -5.8549 -2.1319 -2.1319 2.7835 2.7835 3.2814 3.2814 5.7918 5.7918 6.1091 6.1091 6.6476 6.6476 6.9358 6.9358 9.0113 9.0113 11.0275 11.0275 14.6572 14.6572 15.1283 15.1283 15.9371 15.9371 16.0218 16.0218 k = 0.0000 0.0000 0.2396 ( 1649 PWs) bands (ev): -5.8935 -5.8935 -2.1455 -2.1455 2.7448 2.7448 3.4044 3.4044 5.8548 5.8548 6.0712 6.0712 6.6100 6.6100 6.9176 6.9176 9.0486 9.0486 11.0840 11.0840 14.6688 14.6688 15.2910 15.2910 15.8798 15.8798 16.1545 16.1545 k = 0.0000 0.0000 0.2236 ( 1655 PWs) bands (ev): -5.9297 -5.9297 -2.1592 -2.1592 2.7084 2.7084 3.5263 3.5263 5.9117 5.9117 6.0359 6.0359 6.5747 6.5747 6.8990 6.8990 9.0909 9.0909 11.1351 11.1351 14.6470 14.6470 15.4515 15.4515 15.8638 15.8638 16.2728 16.2728 k = 0.0000 0.0000 0.2076 ( 1659 PWs) bands (ev): -5.9635 -5.9635 -2.1726 -2.1726 2.6745 2.6745 3.6462 3.6462 5.9612 5.9612 6.0043 6.0043 6.5416 6.5416 6.8801 6.8801 9.1375 9.1375 11.1802 11.1802 14.5965 14.5965 15.6086 15.6086 15.8861 15.8861 16.3696 16.3696 k = 0.0000 0.0000 0.1917 ( 1657 PWs) bands (ev): -5.9948 -5.9948 -2.1857 -2.1857 2.6430 2.6430 3.7632 3.7632 5.9679 5.9679 6.0123 6.0123 6.5109 6.5109 6.8612 6.8612 9.1875 9.1875 11.2187 11.2187 14.5268 14.5268 15.7611 15.7611 15.9388 15.9388 16.4371 16.4371 k = 0.0000 0.0000 0.1757 ( 1649 PWs) bands (ev): -6.0236 -6.0236 -2.1982 -2.1982 2.6139 2.6139 3.8764 3.8764 5.9410 5.9410 6.0511 6.0511 6.4825 6.4825 6.8424 6.8424 9.2399 9.2399 11.2503 11.2503 14.4473 14.4473 15.9066 15.9066 16.0141 16.0141 16.4700 16.4700 k = 0.0000 0.0000 0.1597 ( 1649 PWs) bands (ev): -6.0500 -6.0500 -2.2100 -2.2100 2.5873 2.5873 3.9849 3.9849 5.9151 5.9151 6.0860 6.0860 6.4565 6.4565 6.8241 6.8241 9.2936 9.2936 11.2750 11.2750 14.3656 14.3656 16.0400 16.0400 16.1082 16.1082 16.4693 16.4693 k = 0.0000 0.0000 0.1437 ( 1647 PWs) bands (ev): -6.0738 -6.0738 -2.2211 -2.2211 2.5632 2.5632 4.0877 4.0877 5.8916 5.8916 6.1165 6.1165 6.4329 6.4329 6.8063 6.8063 9.3474 9.3474 11.2929 11.2929 14.2868 14.2868 16.1556 16.1556 16.2195 16.2195 16.4432 16.4432 k = 0.0000 0.0000 0.1278 ( 1643 PWs) bands (ev): -6.0952 -6.0952 -2.2312 -2.2312 2.5417 2.5417 4.1838 4.1838 5.8703 5.8703 6.1426 6.1426 6.4117 6.4117 6.7894 6.7894 9.4001 9.4001 11.3045 11.3045 14.2141 14.2141 16.2581 16.2581 16.3294 16.3294 16.4099 16.4099 k = 0.0000 0.0000 0.1118 ( 1651 PWs) bands (ev): -6.1141 -6.1141 -2.2404 -2.2404 2.5226 2.5226 4.2721 4.2721 5.8516 5.8516 6.1647 6.1647 6.3930 6.3930 6.7735 6.7735 9.4504 9.4504 11.3106 11.3106 14.1492 14.1492 16.3206 16.3206 16.3698 16.3698 16.4680 16.4680 k = 0.0000 0.0000 0.0958 ( 1651 PWs) bands (ev): -6.1304 -6.1304 -2.2485 -2.2485 2.5060 2.5060 4.3515 4.3515 5.8352 5.8352 6.1831 6.1831 6.3768 6.3768 6.7589 6.7589 9.4971 9.4971 11.3123 11.3123 14.0933 14.0933 16.2761 16.2761 16.4574 16.4574 16.5699 16.5699 k = 0.0000 0.0000 0.0799 ( 1651 PWs) bands (ev): -6.1443 -6.1443 -2.2554 -2.2554 2.4920 2.4920 4.4210 4.4210 5.8214 5.8214 6.1981 6.1981 6.3631 6.3631 6.7459 6.7459 9.5390 9.5390 11.3107 11.3107 14.0465 14.0465 16.2248 16.2248 16.5447 16.5447 16.6627 16.6627 k = 0.0000 0.0000 0.0639 ( 1659 PWs) bands (ev): -6.1556 -6.1556 -2.2612 -2.2612 2.4805 2.4805 4.4795 4.4795 5.8100 5.8100 6.2100 6.2100 6.3518 6.3518 6.7347 6.7347 9.5750 9.5750 11.3071 11.3071 14.0089 14.0089 16.1782 16.1782 16.6235 16.6235 16.7420 16.7420 k = 0.0000 0.0000 0.0479 ( 1659 PWs) bands (ev): -6.1645 -6.1645 -2.2657 -2.2657 2.4716 2.4716 4.5262 4.5262 5.8012 5.8012 6.2191 6.2191 6.3430 6.3430 6.7257 6.7257 9.6041 9.6041 11.3028 11.3028 13.9802 13.9802 16.1394 16.1394 16.6902 16.6902 16.8055 16.8055 k = 0.0000 0.0000 0.0319 ( 1653 PWs) bands (ev): -6.1708 -6.1708 -2.2689 -2.2689 2.4652 2.4652 4.5601 4.5601 5.7949 5.7949 6.2254 6.2254 6.3367 6.3367 6.7190 6.7190 9.6255 9.6255 11.2989 11.2989 13.9600 13.9600 16.1105 16.1105 16.7412 16.7412 16.8518 16.8518 k = 0.0000 0.0000 0.0160 ( 1657 PWs) bands (ev): -6.1746 -6.1746 -2.2709 -2.2709 2.4614 2.4614 4.5808 4.5808 5.7911 5.7911 6.2292 6.2292 6.3330 6.3330 6.7149 6.7149 9.6386 9.6386 11.2962 11.2962 13.9481 13.9481 16.0927 16.0927 16.7734 16.7734 16.8799 16.8799 k = 0.0000 0.0000 0.0000 ( 1657 PWs) bands (ev): -6.1758 -6.1758 -2.2715 -2.2715 2.4601 2.4601 4.5877 4.5877 5.7898 5.7898 6.2304 6.2304 6.3317 6.3317 6.7136 6.7136 9.6430 9.6430 11.2952 11.2952 13.9441 13.9441 16.0867 16.0867 16.7844 16.7844 16.8893 16.8893 k = 0.0000 0.0000 0.0000 ( 1657 PWs) bands (ev): -6.1758 -6.1758 -2.2715 -2.2715 2.4601 2.4601 4.5877 4.5877 5.7898 5.7898 6.2304 6.2304 6.3317 6.3317 6.7136 6.7136 9.6430 9.6430 11.2952 11.2952 13.9441 13.9441 16.0867 16.0867 16.7844 16.7844 16.8893 16.8893 k =-0.0152 0.0058 0.0000 ( 1657 PWs) bands (ev): -6.1746 -6.1746 -2.2762 -2.2762 2.4629 2.4629 4.5905 4.5905 5.7815 5.7815 6.2335 6.2335 6.3414 6.3414 6.7147 6.7147 9.6405 9.6405 11.2931 11.2931 13.9399 13.9399 16.0895 16.0895 16.7799 16.7799 16.8869 16.8869 k =-0.0303 0.0116 0.0000 ( 1655 PWs) bands (ev): -6.1708 -6.1708 -2.2900 -2.2900 2.4714 2.4714 4.5990 4.5990 5.7583 5.7583 6.2426 6.2426 6.3687 6.3687 6.7182 6.7182 9.6331 9.6331 11.2869 11.2869 13.9278 13.9278 16.0973 16.0973 16.7667 16.7667 16.8795 16.8795 k =-0.0455 0.0174 0.0000 ( 1655 PWs) bands (ev): -6.1646 -6.1646 -2.3128 -2.3128 2.4851 2.4851 4.6134 4.6134 5.7239 5.7239 6.2580 6.2580 6.4099 6.4099 6.7240 6.7240 9.6209 9.6209 11.2765 11.2765 13.9087 13.9087 16.1072 16.1072 16.7458 16.7458 16.8668 16.8668 k =-0.0606 0.0232 0.0000 ( 1655 PWs) bands (ev): -6.1560 -6.1560 -2.3442 -2.3442 2.5034 2.5034 4.6339 4.6339 5.6819 5.6819 6.2796 6.2796 6.4609 6.4609 6.7322 6.7322 9.6038 9.6038 11.2617 11.2617 13.8839 13.8839 16.1147 16.1147 16.7186 16.7186 16.8490 16.8490 k =-0.0758 0.0290 0.0000 ( 1651 PWs) bands (ev): -6.1448 -6.1448 -2.3838 -2.3838 2.5257 2.5257 4.6609 4.6609 5.6354 5.6354 6.3073 6.3073 6.5189 6.5189 6.7427 6.7427 9.5821 9.5821 11.2423 11.2423 13.8553 13.8553 16.1135 16.1135 16.6863 16.6863 16.8259 16.8259 k =-0.0909 0.0347 0.0000 ( 1655 PWs) bands (ev): -6.1312 -6.1312 -2.4309 -2.4309 2.5509 2.5509 4.6946 4.6946 5.5864 5.5864 6.3411 6.3411 6.5815 6.5815 6.7558 6.7558 9.5559 9.5559 11.2182 11.2182 13.8247 13.8247 16.0954 16.0954 16.6503 16.6503 16.7979 16.7979 k =-0.1061 0.0405 0.0000 ( 1654 PWs) bands (ev): -6.1152 -6.1152 -2.4850 -2.4850 2.5782 2.5782 4.7354 4.7354 5.5362 5.5362 6.3808 6.3808 6.6470 6.6470 6.7718 6.7718 9.5253 9.5253 11.1892 11.1892 13.7939 13.7939 16.0513 16.0513 16.6115 16.6115 16.7654 16.7654 k =-0.1212 0.0463 0.0000 ( 1650 PWs) bands (ev): -6.0967 -6.0967 -2.5453 -2.5453 2.6066 2.6066 4.7837 4.7837 5.4859 5.4859 6.4265 6.4265 6.7131 6.7131 6.7917 6.7917 9.4906 9.4906 11.1552 11.1552 13.7646 13.7646 15.9734 15.9734 16.5706 16.5706 16.7285 16.7285 k =-0.1364 0.0521 0.0000 ( 1650 PWs) bands (ev): -6.0758 -6.0758 -2.6113 -2.6113 2.6351 2.6351 4.8397 4.8397 5.4359 5.4359 6.4780 6.4780 6.7735 6.7735 6.8215 6.8215 9.4521 9.4521 11.1160 11.1160 13.7383 13.7383 15.8574 15.8574 16.5280 16.5280 16.6877 16.6877 k =-0.1515 0.0579 0.0000 ( 1650 PWs) bands (ev): -6.0525 -6.0525 -2.6822 -2.6822 2.6629 2.6629 4.9033 4.9033 5.3868 5.3868 6.5354 6.5354 6.8135 6.8135 6.8749 6.8749 9.4099 9.4099 11.0716 11.0716 13.7162 13.7162 15.7044 15.7044 16.4845 16.4845 16.6432 16.6432 k =-0.1667 0.0637 0.0000 ( 1654 PWs) bands (ev): -6.0268 -6.0268 -2.7574 -2.7574 2.6893 2.6893 4.9746 4.9746 5.3388 5.3388 6.5985 6.5985 6.8420 6.8420 6.9430 6.9430 9.3642 9.3642 11.0222 11.0222 13.6993 13.6993 15.5196 15.5196 16.4406 16.4406 16.5955 16.5955 k =-0.1818 0.0695 0.0000 ( 1652 PWs) bands (ev): -5.9988 -5.9988 -2.8362 -2.8362 2.7137 2.7137 5.0532 5.0532 5.2923 5.2923 6.6675 6.6675 6.8695 6.8695 7.0145 7.0145 9.3155 9.3155 10.9678 10.9678 13.6884 13.6884 15.3098 15.3098 16.3970 16.3970 16.5451 16.5451 k =-0.1970 0.0753 0.0000 ( 1652 PWs) bands (ev): -5.9685 -5.9685 -2.9180 -2.9180 2.7358 2.7358 5.1386 5.1386 5.2474 5.2474 6.7424 6.7424 6.8983 6.8983 7.0870 7.0870 9.2639 9.2639 10.9089 10.9089 13.6841 13.6841 15.0814 15.0814 16.3541 16.3541 16.4925 16.4925 k =-0.2121 0.0811 0.0000 ( 1648 PWs) bands (ev): -5.9359 -5.9359 -3.0023 -3.0023 2.7554 2.7554 5.2026 5.2026 5.2317 5.2317 6.8229 6.8229 6.9293 6.9293 7.1595 7.1595 9.2098 9.2098 10.8457 10.8457 13.6866 13.6866 14.8396 14.8396 16.3120 16.3120 16.4381 16.4381 k =-0.2273 0.0869 0.0000 ( 1648 PWs) bands (ev): -5.9011 -5.9011 -3.0885 -3.0885 2.7724 2.7724 5.1620 5.1620 5.3277 5.3277 6.9076 6.9076 6.9645 6.9645 7.2315 7.2315 9.1533 9.1533 10.7789 10.7789 13.6961 13.6961 14.5883 14.5883 16.2708 16.2708 16.3826 16.3826 k =-0.2424 0.0927 0.0000 ( 1648 PWs) bands (ev): -5.8642 -5.8642 -3.1761 -3.1761 2.7867 2.7867 5.1225 5.1225 5.4289 5.4289 6.9799 6.9799 7.0205 7.0205 7.3026 7.3026 9.0949 9.0949 10.7090 10.7090 13.7127 13.7127 14.3304 14.3304 16.2304 16.2304 16.3266 16.3266 k =-0.2576 0.0985 0.0000 ( 1652 PWs) bands (ev): -5.8251 -5.8251 -3.2647 -3.2647 2.7986 2.7986 5.0849 5.0849 5.5332 5.5332 7.0230 7.0230 7.1147 7.1147 7.3726 7.3726 9.0348 9.0348 10.6366 10.6366 13.7360 13.7360 14.0682 14.0682 16.1902 16.1902 16.2713 16.2713 k =-0.2727 0.1042 0.0000 ( 1648 PWs) bands (ev): -5.7841 -5.7841 -3.3538 -3.3538 2.8083 2.8083 5.0493 5.0493 5.6393 5.6393 7.0618 7.0618 7.2222 7.2222 7.4411 7.4411 8.9733 8.9733 10.5624 10.5624 13.7621 13.7621 13.8073 13.8073 16.1490 16.1490 16.2186 16.2186 k =-0.2879 0.1100 0.0000 ( 1650 PWs) bands (ev): -5.7411 -5.7411 -3.4429 -3.4429 2.8159 2.8159 5.0158 5.0158 5.7458 5.7458 7.1013 7.1013 7.3381 7.3381 7.5080 7.5080 8.9107 8.9107 10.4871 10.4871 13.5346 13.5346 13.8049 13.8049 16.1047 16.1047 16.1709 16.1709 k =-0.3030 0.1158 0.0000 ( 1648 PWs) bands (ev): -5.6963 -5.6963 -3.5318 -3.5318 2.8217 2.8217 4.9845 4.9845 5.8515 5.8515 7.1421 7.1421 7.4613 7.4613 7.5737 7.5737 8.8473 8.8473 10.4116 10.4116 13.2673 13.2673 13.8480 13.8480 16.0560 16.0560 16.1301 16.1301 k =-0.3182 0.1216 0.0000 ( 1648 PWs) bands (ev): -5.6500 -5.6500 -3.6198 -3.6198 2.8260 2.8260 4.9553 4.9553 5.9551 5.9551 7.1842 7.1842 7.5860 7.5860 7.6439 7.6439 8.7835 8.7835 10.3366 10.3366 13.0000 13.0000 13.8974 13.8974 16.0043 16.0043 16.0955 16.0955 k =-0.3333 0.1274 0.0000 ( 1648 PWs) bands (ev): -5.6021 -5.6021 -3.7067 -3.7067 2.8291 2.8291 4.9284 4.9284 6.0551 6.0551 7.2275 7.2275 7.6763 7.6763 7.7541 7.7541 8.7195 8.7195 10.2628 10.2628 12.7334 12.7334 13.9527 13.9527 15.9516 15.9516 16.0656 16.0656 k =-0.3485 0.1332 0.0000 ( 1652 PWs) bands (ev): -5.5532 -5.5532 -3.7920 -3.7920 2.8310 2.8310 4.9037 4.9037 6.1506 6.1506 7.2719 7.2719 7.7360 7.7360 7.9001 7.9001 8.6559 8.6559 10.1912 10.1912 12.4684 12.4684 14.0135 14.0135 15.8998 15.8998 16.0389 16.0389 k =-0.3636 0.1390 0.0000 ( 1648 PWs) bands (ev): -5.5033 -5.5033 -3.8752 -3.8752 2.8322 2.8322 4.8813 4.8813 6.2405 6.2405 7.3172 7.3172 7.7878 7.7878 8.0585 8.0585 8.5930 8.5930 10.1225 10.1225 12.2053 12.2053 14.0796 14.0796 15.8498 15.8498 15.9908 15.9908 k =-0.3788 0.1448 0.0000 ( 1640 PWs) bands (ev): -5.4531 -5.4531 -3.9556 -3.9556 2.8327 2.8327 4.8612 4.8612 6.3237 6.3237 7.3630 7.3630 7.8345 7.8345 8.2257 8.2257 8.5317 8.5317 10.0577 10.0577 11.9450 11.9450 14.1506 14.1506 15.8019 15.8019 15.8679 15.8679 k =-0.3939 0.1506 0.0000 ( 1644 PWs) bands (ev): -5.4031 -5.4031 -4.0326 -4.0326 2.8328 2.8328 4.8435 4.8435 6.3995 6.3995 7.4088 7.4088 7.8761 7.8761 8.3964 8.3964 8.4768 8.4768 9.9976 9.9976 11.6880 11.6880 14.2262 14.2262 15.7359 15.7359 15.7669 15.7669 k =-0.4091 0.1564 0.0000 ( 1644 PWs) bands (ev): -5.3540 -5.3540 -4.1052 -4.1052 2.8326 2.8326 4.8280 4.8280 6.4671 6.4671 7.4541 7.4541 7.9125 7.9125 8.4093 8.4093 8.5894 8.5894 9.9431 9.9431 11.4351 11.4351 14.3060 14.3060 15.6179 15.6179 15.7241 15.7241 k =-0.4242 0.1622 0.0000 ( 1640 PWs) bands (ev): -5.3071 -5.3071 -4.1722 -4.1722 2.8322 2.8322 4.8150 4.8150 6.5257 6.5257 7.4979 7.4979 7.9434 7.9434 8.3569 8.3569 8.7766 8.7766 9.8950 9.8950 11.1877 11.1877 14.3894 14.3894 15.4988 15.4988 15.6898 15.6898 k =-0.4394 0.1680 0.0000 ( 1640 PWs) bands (ev): -5.2637 -5.2637 -4.2321 -4.2321 2.8317 2.8317 4.8042 4.8042 6.5747 6.5747 7.5391 7.5391 7.9683 7.9683 8.3085 8.3085 8.9688 8.9688 9.8542 9.8542 10.9474 10.9474 14.4757 14.4757 15.3830 15.3830 15.6614 15.6614 k =-0.4545 0.1737 0.0000 ( 1638 PWs) bands (ev): -5.2259 -5.2259 -4.2828 -4.2828 2.8312 2.8312 4.7959 4.7959 6.6135 6.6135 7.5757 7.5757 7.9871 7.9871 8.2669 8.2669 9.1614 9.1614 9.8215 9.8215 10.7179 10.7179 14.5634 14.5634 15.2722 15.2722 15.6389 15.6389 k =-0.4697 0.1795 0.0000 ( 1642 PWs) bands (ev): -5.1961 -5.1961 -4.3219 -4.3219 2.8309 2.8309 4.7899 4.7899 6.6416 6.6416 7.6053 7.6053 7.9997 7.9997 8.2346 8.2346 9.3459 9.3459 9.7972 9.7972 10.5074 10.5074 14.6490 14.6490 15.1700 15.1700 15.6226 15.6226 k =-0.4848 0.1853 0.0000 ( 1642 PWs) bands (ev): -5.1767 -5.1767 -4.3468 -4.3468 2.8306 2.8306 4.7863 4.7863 6.6586 6.6586 7.6249 7.6249 8.0065 8.0065 8.2141 8.2141 9.5006 9.5006 9.7817 9.7817 10.3380 10.3380 14.7227 14.7227 15.0863 15.0863 15.6128 15.6128 k =-0.5000 0.1911 0.0000 ( 1644 PWs) bands (ev): -5.1700 -5.1700 -4.3554 -4.3554 2.8305 2.8305 4.7852 4.7852 6.6644 6.6644 7.6318 7.6318 8.0086 8.0086 8.2071 8.2071 9.5693 9.5693 9.7757 9.7757 10.2653 10.2653 14.7565 14.7565 15.0491 15.0491 15.6095 15.6095 k =-0.5000 0.1911 0.0000 ( 1644 PWs) bands (ev): -5.1700 -5.1700 -4.3554 -4.3554 2.8305 2.8305 4.7852 4.7852 6.6644 6.6644 7.6318 7.6318 8.0086 8.0086 8.2071 8.2071 9.5693 9.5693 9.7757 9.7757 10.2653 10.2653 14.7565 14.7565 15.0491 15.0491 15.6095 15.6095 k =-0.4942 0.2062-0.0000 ( 1644 PWs) bands (ev): -5.1688 -5.1688 -4.3543 -4.3543 2.8143 2.8143 4.8003 4.8003 6.6571 6.6571 7.6330 7.6330 8.0052 8.0052 8.2077 8.2077 9.5799 9.5799 9.7751 9.7751 10.2639 10.2639 14.7514 14.7514 15.0535 15.0535 15.6233 15.6233 k =-0.4885 0.2213-0.0000 ( 1648 PWs) bands (ev): -5.1651 -5.1651 -4.3508 -4.3508 2.7672 2.7672 4.8444 4.8444 6.6352 6.6352 7.6365 7.6365 7.9956 7.9956 8.2097 8.2097 9.6111 9.6111 9.7727 9.7727 10.2604 10.2604 14.7373 14.7373 15.0664 15.0664 15.6635 15.6635 k =-0.4827 0.2364-0.0000 ( 1646 PWs) bands (ev): -5.1590 -5.1590 -4.3450 -4.3450 2.6931 2.6931 4.9134 4.9134 6.5989 6.5989 7.6425 7.6425 7.9813 7.9813 8.2135 8.2135 9.6607 9.6607 9.7679 9.7679 10.2557 10.2557 14.7177 14.7177 15.0877 15.0877 15.7262 15.7262 k =-0.4769 0.2515-0.0000 ( 1643 PWs) bands (ev): -5.1504 -5.1504 -4.3369 -4.3369 2.5970 2.5970 5.0021 5.0021 6.5483 6.5483 7.6509 7.6509 7.9644 7.9644 8.2195 8.2195 9.7240 9.7240 9.7608 9.7608 10.2518 10.2518 14.6967 14.6967 15.1172 15.1172 15.7551 15.7551 k =-0.4712 0.2666-0.0000 ( 1645 PWs) bands (ev): -5.1394 -5.1394 -4.3266 -4.3266 2.4839 2.4839 5.1057 5.1057 6.4842 6.4842 7.6617 7.6617 7.9471 7.9471 8.2280 8.2280 9.7398 9.7398 9.8078 9.8078 10.2510 10.2510 14.6775 14.6775 15.1545 15.1545 15.6699 15.6699 k =-0.4654 0.2817-0.0000 ( 1647 PWs) bands (ev): -5.1260 -5.1260 -4.3139 -4.3139 2.3579 2.3579 5.2197 5.2197 6.4071 6.4071 7.6748 7.6748 7.9315 7.9315 8.2389 8.2389 9.7169 9.7169 9.8952 9.8952 10.2559 10.2559 14.6630 14.6630 15.1989 15.1989 15.5704 15.5704 k =-0.4596 0.2968-0.0000 ( 1647 PWs) bands (ev): -5.1101 -5.1101 -4.2991 -4.2991 2.2224 2.2224 5.3407 5.3407 6.3183 6.3183 7.6903 7.6903 7.9190 7.9190 8.2523 8.2523 9.6835 9.6835 9.9910 9.9910 10.2683 10.2683 14.6550 14.6550 15.2496 15.2496 15.4593 15.4593 k =-0.4538 0.3119-0.0000 ( 1645 PWs) bands (ev): -5.0918 -5.0918 -4.2820 -4.2820 2.0799 2.0799 5.4658 5.4658 6.2190 6.2190 7.7081 7.7081 7.9104 7.9104 8.2680 8.2680 9.6399 9.6399 10.0922 10.0922 10.2895 10.2895 14.6548 14.6548 15.3019 15.3019 15.3422 15.3422 k =-0.4481 0.3270-0.0000 ( 1645 PWs) bands (ev): -5.0711 -5.0711 -4.2628 -4.2628 1.9324 1.9324 5.5930 5.5930 6.1106 6.1106 7.7283 7.7283 7.9062 7.9062 8.2860 8.2860 9.5866 9.5866 10.1970 10.1970 10.3201 10.3201 14.6634 14.6634 15.2072 15.2072 15.3678 15.3678 k =-0.4423 0.3421-0.0000 ( 1637 PWs) bands (ev): -5.0480 -5.0480 -4.2414 -4.2414 1.7815 1.7815 5.7203 5.7203 5.9945 5.9945 7.7507 7.7507 7.9063 7.9063 8.3061 8.3061 9.5248 9.5248 10.3028 10.3028 10.3609 10.3609 14.6811 14.6811 15.0725 15.0725 15.4285 15.4285 k =-0.4365 0.3572-0.0000 ( 1629 PWs) bands (ev): -5.0225 -5.0225 -4.2180 -4.2180 1.6283 1.6283 5.8454 5.8454 5.8729 5.8729 7.7755 7.7755 7.9107 7.9107 8.3283 8.3283 9.4559 9.4559 10.3932 10.3932 10.4266 10.4266 14.7084 14.7084 14.9325 14.9325 15.4876 15.4876 k =-0.4308 0.3722-0.0000 ( 1631 PWs) bands (ev): -4.9946 -4.9946 -4.1925 -4.1925 1.4737 1.4737 5.7438 5.7438 5.9701 5.9701 7.8025 7.8025 7.9191 7.9191 8.3525 8.3525 9.3816 9.3816 10.4537 10.4537 10.5305 10.5305 14.7453 14.7453 14.7889 14.7889 15.5399 15.5399 k =-0.4250 0.3873-0.0000 ( 1631 PWs) bands (ev): -4.9644 -4.9644 -4.1652 -4.1652 1.3185 1.3185 5.6118 5.6118 6.0897 6.0897 7.8317 7.8317 7.9313 7.9313 8.3786 8.3786 9.3034 9.3034 10.5156 10.5156 10.6401 10.6401 14.6423 14.6423 14.7925 14.7925 15.5794 15.5794 k =-0.4192 0.4024-0.0000 ( 1631 PWs) bands (ev): -4.9318 -4.9318 -4.1360 -4.1360 1.1633 1.1633 5.4765 5.4765 6.2043 6.2043 7.8630 7.8630 7.9471 7.9471 8.4064 8.4064 9.2232 9.2232 10.5829 10.5829 10.7502 10.7502 14.4943 14.4943 14.8490 14.8490 15.5986 15.5986 k =-0.4135 0.4175-0.0000 ( 1631 PWs) bands (ev): -4.8969 -4.8969 -4.1050 -4.1050 1.0087 1.0087 5.3386 5.3386 6.3127 6.3127 7.8965 7.8965 7.9661 7.9661 8.4359 8.4359 9.1425 9.1425 10.6556 10.6556 10.8601 10.8601 14.3455 14.3455 14.9152 14.9152 15.5911 15.5911 k =-0.4077 0.4326-0.0000 ( 1635 PWs) bands (ev): -4.8597 -4.8597 -4.0724 -4.0724 0.8552 0.8552 5.1990 5.1990 6.4135 6.4135 7.9319 7.9319 7.9882 7.9882 8.4669 8.4669 9.0633 9.0633 10.7335 10.7335 10.9694 10.9694 14.1965 14.1965 14.9907 14.9907 15.5538 15.5538 k =-0.4019 0.4477-0.0000 ( 1643 PWs) bands (ev): -4.8202 -4.8202 -4.0383 -4.0383 0.7031 0.7031 5.0582 5.0582 6.5053 6.5053 7.9692 7.9692 8.0134 8.0134 8.4992 8.4992 8.9876 8.9876 10.8162 10.8162 11.0780 11.0780 14.0481 14.0481 15.0754 15.0754 15.4881 15.4881 k =-0.3961 0.4628-0.0000 ( 1647 PWs) bands (ev): -4.7784 -4.7784 -4.0029 -4.0029 0.5530 0.5530 4.9166 4.9166 6.5864 6.5864 8.0079 8.0079 8.0417 8.0417 8.5325 8.5325 8.9176 8.9176 10.9032 10.9032 11.1858 11.1858 13.9007 13.9007 15.1687 15.1687 15.3987 15.3987 k =-0.3904 0.4779-0.0000 ( 1653 PWs) bands (ev): -4.7344 -4.7344 -3.9663 -3.9663 0.4052 0.4052 4.7748 4.7748 6.6551 6.6551 8.0473 8.0473 8.0737 8.0737 8.5666 8.5666 8.8556 8.8556 10.9943 10.9943 11.2928 11.2928 13.7550 13.7550 15.2697 15.2697 15.2919 15.2919 k =-0.3846 0.4930-0.0000 ( 1653 PWs) bands (ev): -4.6882 -4.6882 -3.9288 -3.9288 0.2601 0.2601 4.6330 4.6330 6.7095 6.7095 8.0863 8.0863 8.1104 8.1104 8.6010 8.6010 8.8045 8.8045 11.0891 11.0891 11.3990 11.3990 13.6115 13.6115 15.1704 15.1704 15.3800 15.3800 k =-0.3788 0.5081-0.0000 ( 1651 PWs) bands (ev): -4.6399 -4.6399 -3.8906 -3.8906 0.1182 0.1182 4.4918 4.4918 6.7478 6.7478 8.1242 8.1242 8.1521 8.1521 8.6345 8.6345 8.7672 8.7672 11.1873 11.1873 11.5045 11.5045 13.4707 13.4707 15.0407 15.0407 15.4963 15.4963 k =-0.3731 0.5232-0.0000 ( 1655 PWs) bands (ev): -4.5894 -4.5894 -3.8520 -3.8520 -0.0201 -0.0201 4.3512 4.3512 6.7687 6.7687 8.1621 8.1621 8.1977 8.1977 8.6648 8.6648 8.7478 8.7478 11.2884 11.2884 11.6094 11.6094 13.3330 13.3330 14.9045 14.9045 15.6183 15.6183 k =-0.3673 0.5383-0.0000 ( 1655 PWs) bands (ev): -4.5368 -4.5368 -3.8135 -3.8135 -0.1543 -0.1543 4.2117 4.2117 6.7712 6.7712 8.2007 8.2007 8.2461 8.2461 8.6881 8.6881 8.7511 8.7511 11.3923 11.3923 11.7139 11.7139 13.1991 13.1991 14.7640 14.7640 15.7447 15.7447 k =-0.3615 0.5534-0.0000 ( 1651 PWs) bands (ev): -4.4821 -4.4821 -3.7753 -3.7753 -0.2838 -0.2838 4.0735 4.0735 6.7555 6.7555 8.2407 8.2407 8.2967 8.2967 8.7077 8.7077 8.7738 8.7738 11.4986 11.4986 11.8180 11.8180 13.0694 13.0694 14.6207 14.6207 15.8732 15.8732 k =-0.3558 0.5685-0.0000 ( 1655 PWs) bands (ev): -4.4255 -4.4255 -3.7381 -3.7381 -0.4082 -0.4082 3.9368 3.9368 6.7226 6.7226 8.2820 8.2820 8.3492 8.3492 8.7338 8.7338 8.8047 8.8047 11.6071 11.6071 11.9218 11.9218 12.9445 12.9445 14.4755 14.4755 16.0008 16.0008 k =-0.3500 0.5836-0.0000 ( 1655 PWs) bands (ev): -4.3668 -4.3668 -3.7024 -3.7024 -0.5266 -0.5266 3.8017 3.8017 6.6741 6.6741 8.3248 8.3248 8.4034 8.4034 8.7705 8.7705 8.8379 8.8379 11.7175 11.7175 12.0254 12.0254 12.8252 12.8252 14.3295 14.3295 16.1231 16.1231 k =-0.3442 0.5987-0.0000 ( 1651 PWs) bands (ev): -4.3063 -4.3063 -3.6688 -3.6688 -0.6384 -0.6384 3.6685 3.6685 6.6123 6.6123 8.3688 8.3688 8.4594 8.4594 8.8176 8.8176 8.8716 8.8716 11.8294 11.8294 12.1289 12.1289 12.7122 12.7122 14.1831 14.1831 16.2332 16.2332 k =-0.3385 0.6138-0.0000 ( 1649 PWs) bands (ev): -4.2440 -4.2440 -3.6381 -3.6381 -0.7428 -0.7428 3.5374 3.5374 6.5392 6.5392 8.4141 8.4141 8.5168 8.5168 8.8715 8.8715 8.9067 8.9067 11.9424 11.9424 12.2320 12.2320 12.6067 12.6067 14.0370 14.0370 16.3094 16.3094 k =-0.3327 0.6288-0.0000 ( 1643 PWs) bands (ev): -4.1799 -4.1799 -3.6113 -3.6113 -0.8387 -0.8387 3.4086 3.4086 6.4571 6.4571 8.4605 8.4605 8.5756 8.5756 8.9182 8.9182 8.9552 8.9552 12.0558 12.0558 12.3332 12.3332 12.5118 12.5118 13.8915 13.8915 16.2114 16.2114 k =-0.3269 0.6439-0.0000 ( 1643 PWs) bands (ev): -4.1141 -4.1141 -3.5892 -3.5892 -0.9252 -0.9252 3.2821 3.2821 6.3678 6.3678 8.5079 8.5079 8.6356 8.6356 8.9485 8.9485 9.0240 9.0240 12.1663 12.1663 12.3986 12.3986 12.4651 12.4651 13.7471 13.7471 16.0805 16.0805 k =-0.3211 0.6590-0.0000 ( 1643 PWs) bands (ev): -4.0467 -4.0467 -3.5728 -3.5728 -1.0013 -1.0013 3.1582 3.1582 6.2729 6.2729 8.5562 8.5562 8.6967 8.6967 8.9714 8.9714 9.1019 9.1019 12.2491 12.2491 12.3673 12.3673 12.5528 12.5528 13.6042 13.6042 15.9521 15.9521 k =-0.3154 0.6741-0.0000 ( 1639 PWs) bands (ev): -3.9777 -3.9777 -3.5630 -3.5630 -1.0660 -1.0660 3.0371 3.0371 6.1738 6.1738 8.6052 8.6052 8.7587 8.7587 8.9890 8.9890 9.1855 9.1855 12.2263 12.2263 12.4376 12.4376 12.6551 12.6551 13.4636 13.4636 15.8276 15.8276 k =-0.3096 0.6892-0.0000 ( 1639 PWs) bands (ev): -3.9074 -3.9074 -3.5609 -3.5609 -1.1182 -1.1182 2.9188 2.9188 6.0715 6.0715 8.6549 8.6549 8.8215 8.8215 9.0009 9.0009 9.2734 9.2734 12.1711 12.1711 12.5502 12.5502 12.7576 12.7576 13.3266 13.3266 15.7074 15.7074 k =-0.3038 0.7043-0.0000 ( 1643 PWs) bands (ev): -3.8357 -3.8357 -3.5671 -3.5671 -1.1572 -1.1572 2.8036 2.8036 5.9669 5.9669 8.7050 8.7050 8.8847 8.8847 9.0068 9.0068 9.3648 9.3648 12.1207 12.1207 12.6693 12.6693 12.8553 12.8553 13.1977 13.1977 15.5917 15.5917 k =-0.2981 0.7194-0.0000 ( 1643 PWs) bands (ev): -3.7629 -3.7629 -3.5822 -3.5822 -1.1825 -1.1825 2.6917 2.6917 5.8609 5.8609 8.7553 8.7553 8.9483 8.9483 9.0062 9.0062 9.4591 9.4591 12.0801 12.0801 12.7896 12.7896 12.9220 12.9220 13.1042 13.1042 15.4809 15.4809 k =-0.2923 0.7345-0.0000 ( 1641 PWs) bands (ev): -3.6890 -3.6890 -3.6063 -3.6063 -1.1939 -1.1939 2.5831 2.5831 5.7538 5.7538 8.8057 8.8057 8.9987 8.9987 9.0122 9.0122 9.5558 9.5558 12.0505 12.0505 12.8540 12.8540 12.9272 12.9272 13.1331 13.1331 15.3752 15.3752 k =-0.2865 0.7496-0.0000 ( 1639 PWs) bands (ev): -3.6395 -3.6395 -3.6140 -3.6140 -1.1914 -1.1914 2.4782 2.4782 5.6464 5.6464 8.8558 8.8558 8.9843 8.9843 9.0758 9.0758 9.6547 9.6547 12.0325 12.0325 12.7447 12.7447 13.0452 13.0452 13.2278 13.2278 15.2748 15.2748 k =-0.2865 0.7496-0.0000 ( 1639 PWs) bands (ev): -3.6395 -3.6395 -3.6140 -3.6140 -1.1914 -1.1914 2.4782 2.4782 5.6464 5.6464 8.8558 8.8558 8.9843 8.9843 9.0758 9.0758 9.6547 9.6547 12.0325 12.0325 12.7447 12.7447 13.0452 13.0452 13.2278 13.2278 15.2748 15.2748 k =-0.2865 0.7496 0.0160 ( 1639 PWs) bands (ev): -3.6385 -3.6385 -3.6130 -3.6130 -1.1899 -1.1899 2.4793 2.4793 5.6466 5.6466 8.8529 8.8529 8.9736 8.9736 9.0508 9.0508 9.6741 9.6741 11.9746 11.9746 12.7899 12.7899 13.0489 13.0489 13.2550 13.2550 15.2420 15.2420 k =-0.2865 0.7496 0.0319 ( 1639 PWs) bands (ev): -3.6355 -3.6355 -3.6100 -3.6100 -1.1857 -1.1857 2.4824 2.4824 5.6473 5.6473 8.8428 8.8428 8.9426 8.9426 8.9848 8.9848 9.7239 9.7239 11.8347 11.8347 12.8903 12.8903 13.0601 13.0601 13.3371 13.3371 15.1599 15.1599 k =-0.2865 0.7496 0.0479 ( 1643 PWs) bands (ev): -3.6305 -3.6305 -3.6050 -3.6050 -1.1786 -1.1786 2.4875 2.4875 5.6483 5.6483 8.8187 8.8187 8.8851 8.8851 8.9067 8.9067 9.7899 9.7899 11.6576 11.6576 12.9952 12.9952 13.0850 13.0850 13.4705 13.4705 15.0550 15.0550 k =-0.2865 0.7496 0.0639 ( 1644 PWs) bands (ev): -3.6235 -3.6235 -3.5980 -3.5980 -1.1686 -1.1686 2.4947 2.4947 5.6495 5.6495 8.7611 8.7611 8.7833 8.7833 8.8661 8.8661 9.8620 9.8620 11.4658 11.4658 13.0520 13.0520 13.1616 13.1616 13.6427 13.6427 14.9456 14.9456 k =-0.2865 0.7496 0.0799 ( 1642 PWs) bands (ev): -3.6145 -3.6145 -3.5891 -3.5891 -1.1558 -1.1558 2.5039 2.5039 5.6509 5.6509 8.6520 8.6520 8.6883 8.6883 8.8379 8.8379 9.9346 9.9346 11.2694 11.2694 13.0671 13.0671 13.2820 13.2820 13.8392 13.8392 14.8433 14.8433 k =-0.2865 0.7496 0.0958 ( 1640 PWs) bands (ev): -3.6036 -3.6036 -3.5782 -3.5782 -1.1402 -1.1402 2.5151 2.5151 5.6520 5.6520 8.5258 8.5258 8.5830 8.5830 8.8105 8.8105 10.0050 10.0050 11.0738 11.0738 13.0660 13.0660 13.4182 13.4182 14.0495 14.0495 14.7566 14.7566 k =-0.2865 0.7496 0.1118 ( 1642 PWs) bands (ev): -3.5907 -3.5907 -3.5653 -3.5653 -1.1218 -1.1218 2.5283 2.5283 5.6527 5.6527 8.3945 8.3945 8.4644 8.4644 8.7784 8.7784 10.0717 10.0717 10.8827 10.8827 13.0484 13.0484 13.5662 13.5662 14.2674 14.2674 14.6925 14.6925 k =-0.2865 0.7496 0.1278 ( 1644 PWs) bands (ev): -3.5758 -3.5758 -3.5505 -3.5505 -1.1004 -1.1004 2.5434 2.5434 5.6525 5.6525 8.2607 8.2607 8.3354 8.3354 8.7388 8.7388 10.1340 10.1340 10.6991 10.6991 13.0106 13.0106 13.7246 13.7246 14.4888 14.4888 14.6565 14.6565 k =-0.2865 0.7496 0.1437 ( 1644 PWs) bands (ev): -3.5591 -3.5591 -3.5338 -3.5338 -1.0763 -1.0763 2.5603 2.5603 5.6510 5.6510 8.1262 8.1262 8.1986 8.1986 8.6893 8.6893 10.1909 10.1909 10.5263 10.5263 12.9509 12.9509 13.8916 13.8916 14.6478 14.6478 14.7144 14.7144 k =-0.2865 0.7496 0.1597 ( 1639 PWs) bands (ev): -3.5405 -3.5405 -3.5153 -3.5153 -1.0493 -1.0493 2.5790 2.5790 5.6475 5.6475 7.9923 7.9923 8.0559 8.0559 8.6277 8.6277 10.2384 10.2384 10.3708 10.3708 12.8701 12.8701 14.0657 14.0657 14.6718 14.6718 14.9363 14.9363 k =-0.2865 0.7496 0.1757 ( 1640 PWs) bands (ev): -3.5200 -3.5200 -3.4948 -3.4948 -1.0195 -1.0195 2.5995 2.5995 5.6412 5.6412 7.8602 7.8602 7.9094 7.9094 8.5518 8.5518 10.2016 10.2016 10.3094 10.3094 12.7715 12.7715 14.2453 14.2453 14.7207 14.7207 15.1576 15.1576 k =-0.2865 0.7496 0.1917 ( 1640 PWs) bands (ev): -3.4977 -3.4977 -3.4726 -3.4726 -0.9868 -0.9868 2.6216 2.6216 5.6313 5.6313 7.7298 7.7298 7.7621 7.7621 8.4599 8.4599 10.0798 10.0798 10.3447 10.3447 12.6596 12.6596 14.4288 14.4288 14.7909 14.7909 15.3762 15.3762 k =-0.2865 0.7496 0.2076 ( 1638 PWs) bands (ev): -3.4735 -3.4735 -3.4486 -3.4486 -0.9514 -0.9514 2.6452 2.6452 5.6167 5.6167 7.5938 7.5938 7.6242 7.6242 8.3514 8.3514 9.9696 9.9696 10.3803 10.3803 12.5393 12.5393 14.6144 14.6144 14.8780 14.8780 15.5907 15.5907 k =-0.2865 0.7496 0.2236 ( 1640 PWs) bands (ev): -3.4477 -3.4477 -3.4228 -3.4228 -0.9130 -0.9130 2.6702 2.6702 5.5962 5.5962 7.4455 7.4455 7.5049 7.5049 8.2263 8.2263 9.8759 9.8759 10.4102 10.4102 12.4152 12.4152 14.8004 14.8004 14.9782 14.9782 15.7996 15.7996 k =-0.2865 0.7496 0.2396 ( 1642 PWs) bands (ev): -3.4201 -3.4201 -3.3953 -3.3953 -0.8719 -0.8719 2.6965 2.6965 5.5684 5.5684 7.2937 7.2937 7.3981 7.3981 8.0863 8.0863 9.7983 9.7983 10.4322 10.4322 12.2916 12.2916 14.9842 14.9842 15.0891 15.0891 16.0012 16.0012 k =-0.2865 0.7496 0.2556 ( 1640 PWs) bands (ev): -3.3909 -3.3909 -3.3662 -3.3662 -0.8279 -0.8279 2.7239 2.7239 5.5322 5.5322 7.1420 7.1420 7.3026 7.3026 7.9332 7.9332 9.7349 9.7349 10.4444 10.4444 12.1726 12.1726 15.1593 15.1593 15.2125 15.2125 16.1930 16.1930 k =-0.2865 0.7496 0.2715 ( 1640 PWs) bands (ev): -3.3601 -3.3601 -3.3355 -3.3355 -0.7811 -0.7811 2.7522 2.7522 5.4863 5.4863 6.9916 6.9916 7.2195 7.2195 7.7697 7.7697 9.6832 9.6832 10.4446 10.4446 12.0623 12.0623 15.3065 15.3065 15.3635 15.3635 16.3712 16.3712 k =-0.2865 0.7496 0.2875 ( 1642 PWs) bands (ev): -3.3277 -3.3277 -3.3032 -3.3032 -0.7315 -0.7315 2.7813 2.7813 5.4299 5.4299 6.8434 6.8434 7.1494 7.1494 7.5980 7.5980 9.6410 9.6410 10.4300 10.4300 11.9649 11.9649 15.4350 15.4350 15.5290 15.5290 16.5295 16.5295 k =-0.2865 0.7496 0.3035 ( 1644 PWs) bands (ev): -3.2939 -3.2939 -3.2695 -3.2695 -0.6790 -0.6790 2.8108 2.8108 5.3629 5.3629 6.6982 6.6982 7.0928 7.0928 7.4203 7.4203 9.6061 9.6061 10.3982 10.3982 11.8840 11.8840 15.5609 15.5609 15.6886 15.6886 16.6565 16.6565 k =-0.2865 0.7496 0.3194 ( 1639 PWs) bands (ev): -3.2586 -3.2586 -3.2344 -3.2344 -0.6237 -0.6237 2.8404 2.8404 5.2854 5.2854 6.5566 6.5566 7.0488 7.0488 7.2393 7.2393 9.5769 9.5769 10.3475 10.3475 11.8222 11.8222 15.6862 15.6862 15.8364 15.8364 16.7358 16.7358 k =-0.2865 0.7496 0.3354 ( 1641 PWs) bands (ev): -3.2221 -3.2221 -3.1980 -3.1980 -0.5656 -0.5656 2.8698 2.8698 5.1984 5.1984 6.4193 6.4193 7.0067 7.0067 7.0662 7.0662 9.5517 9.5517 10.2773 10.2773 11.7808 11.7808 15.8104 15.8104 15.9685 15.9685 16.7540 16.7540 k =-0.2865 0.7496 0.3514 ( 1642 PWs) bands (ev): -3.1842 -3.1842 -3.1604 -3.1604 -0.5047 -0.5047 2.8986 2.8986 5.1029 5.1029 6.2871 6.2871 6.8573 6.8573 7.0105 7.0105 9.5295 9.5295 10.1890 10.1890 11.7592 11.7592 15.9327 15.9327 16.0816 16.0816 16.7170 16.7170 k =-0.2865 0.7496 0.3674 ( 1648 PWs) bands (ev): -3.1453 -3.1453 -3.1217 -3.1217 -0.4410 -0.4410 2.9264 2.9264 5.0004 5.0004 6.1607 6.1607 6.6711 6.6711 7.0012 7.0012 9.5091 9.5091 10.0850 10.0850 11.7555 11.7555 16.0510 16.0510 16.1739 16.1739 16.6457 16.6457 k =-0.2865 0.7496 0.3833 ( 1644 PWs) bands (ev): -3.1053 -3.1053 -3.0819 -3.0819 -0.3745 -0.3745 2.9526 2.9526 4.8925 4.8925 6.0408 6.0408 6.4829 6.4829 7.0030 7.0030 9.4897 9.4897 9.9684 9.9684 11.7671 11.7671 16.1578 16.1578 16.2487 16.2487 16.5591 16.5591 k =-0.2865 0.7496 0.3993 ( 1644 PWs) bands (ev): -3.0644 -3.0644 -3.0412 -3.0412 -0.3052 -0.3052 2.9767 2.9767 4.7804 4.7804 5.9281 5.9281 6.2945 6.2945 7.0132 7.0132 9.4705 9.4705 9.8423 9.8423 11.7916 11.7916 16.2217 16.2217 16.3309 16.3309 16.4733 16.4733 k =-0.2865 0.7496 0.4153 ( 1650 PWs) bands (ev): -3.0227 -3.0227 -2.9998 -2.9998 -0.2331 -0.2331 2.9980 2.9980 4.6656 4.6656 5.8235 5.8235 6.1068 6.1068 7.0304 7.0304 9.4505 9.4505 9.7100 9.7100 11.8265 11.8265 16.2152 16.2152 16.4060 16.4060 16.4365 16.4365 k =-0.2865 0.7496 0.4312 ( 1650 PWs) bands (ev): -2.9803 -2.9803 -2.9577 -2.9577 -0.1582 -0.1582 3.0159 3.0159 4.5491 4.5491 5.7273 5.7273 5.9208 5.9208 7.0534 7.0534 9.4273 9.4273 9.5754 9.5754 11.8701 11.8701 16.1520 16.1520 16.3670 16.3670 16.5471 16.5471 k =-0.2865 0.7496 0.4472 ( 1652 PWs) bands (ev): -2.9373 -2.9373 -2.9151 -2.9151 -0.0805 -0.0805 3.0297 3.0297 4.4320 4.4320 5.6382 5.6382 5.7391 5.7391 7.0810 7.0810 9.3847 9.3847 9.4563 9.4563 11.9208 11.9208 16.0613 16.0613 16.3357 16.3357 16.6582 16.6582 k =-0.2865 0.7496 0.4632 ( 1654 PWs) bands (ev): -2.8940 -2.8940 -2.8721 -2.8721 -0.0001 -0.0001 3.0387 3.0387 4.3152 4.3152 5.5285 5.5285 5.5903 5.5903 7.1124 7.1124 9.2715 9.2715 9.4052 9.4052 11.9776 11.9776 15.9614 15.9614 16.2999 16.2999 16.7679 16.7679 k =-0.2865 0.7496 0.4792 ( 1654 PWs) bands (ev): -2.8505 -2.8505 -2.8290 -2.8290 0.0831 0.0831 3.0424 3.0424 4.1995 4.1995 5.3582 5.3582 5.5155 5.5155 7.1465 7.1465 9.1334 9.1334 9.3773 9.3773 12.0396 12.0396 15.8585 15.8585 16.2576 16.2576 16.8750 16.8750 k =-0.2865 0.7496 0.4951 ( 1655 PWs) bands (ev): -2.8070 -2.8070 -2.7860 -2.7860 0.1690 0.1690 3.0404 3.0404 4.0854 4.0854 5.1798 5.1798 5.4633 5.4633 7.1824 7.1824 8.9934 8.9934 9.3508 9.3508 12.1061 12.1061 15.7547 15.7547 16.2101 16.2101 16.9786 16.9786 k =-0.2865 0.7496 0.5111 ( 1657 PWs) bands (ev): -2.7636 -2.7636 -2.7431 -2.7431 0.2576 0.2576 3.0324 3.0324 3.9738 3.9738 5.0022 5.0022 5.4252 5.4252 7.2189 7.2189 8.8550 8.8550 9.3230 9.3230 12.1766 12.1766 15.6505 15.6505 16.1597 16.1597 17.0759 17.0759 k =-0.2865 0.7496 0.5271 ( 1657 PWs) bands (ev): -2.7206 -2.7206 -2.7007 -2.7007 0.3490 0.3490 3.0183 3.0183 3.8650 3.8650 4.8265 4.8265 5.4005 5.4005 7.2547 7.2547 8.7204 8.7204 9.2933 9.2933 12.2508 12.2508 15.5460 15.5460 16.1087 16.1087 17.1594 17.1594 k =-0.2865 0.7496 0.5431 ( 1657 PWs) bands (ev): -2.6783 -2.6783 -2.6590 -2.6590 0.4430 0.4430 2.9984 2.9984 3.7596 3.7596 4.6532 4.6532 5.3889 5.3889 7.2880 7.2880 8.5915 8.5915 9.2614 9.2614 12.3283 12.3283 15.4410 15.4410 16.0590 16.0590 17.2048 17.2048 k =-0.2865 0.7496 0.5590 ( 1661 PWs) bands (ev): -2.6367 -2.6367 -2.6182 -2.6182 0.5397 0.5397 2.9731 2.9731 3.6581 3.6581 4.4826 4.4826 5.3900 5.3900 7.3162 7.3162 8.4710 8.4710 9.2271 9.2271 12.4089 12.4089 15.3351 15.3351 16.0125 16.0125 17.1774 17.1774 k =-0.2865 0.7496 0.5750 ( 1659 PWs) bands (ev): -2.5963 -2.5963 -2.5785 -2.5785 0.6391 0.6391 2.9432 2.9432 3.5609 3.5609 4.3150 4.3150 5.4032 5.4032 7.3360 7.3360 8.3624 8.3624 9.1903 9.1903 12.4923 12.4923 15.2282 15.2282 15.9705 15.9705 17.0998 17.0998 k =-0.2865 0.7496 0.5910 ( 1657 PWs) bands (ev): -2.5571 -2.5571 -2.5402 -2.5402 0.7410 0.7410 2.9092 2.9092 3.4686 3.4686 4.1507 4.1507 5.4278 5.4278 7.3427 7.3427 8.2703 8.2703 9.1510 9.1510 12.5785 12.5785 15.1201 15.1201 15.9342 15.9342 17.0064 17.0064 k =-0.2865 0.7496 0.6069 ( 1659 PWs) bands (ev): -2.5197 -2.5197 -2.5037 -2.5037 0.8455 0.8455 2.8720 2.8720 3.3814 3.3814 3.9900 3.9900 5.4629 5.4629 7.3312 7.3312 8.1999 8.1999 9.1091 9.1091 12.6672 12.6672 15.0109 15.0109 15.9043 15.9043 16.9095 16.9095 k =-0.2865 0.7496 0.6229 ( 1657 PWs) bands (ev): -2.4841 -2.4841 -2.4691 -2.4691 0.9524 0.9524 2.8321 2.8321 3.2998 3.2998 3.8337 3.8337 5.5078 5.5078 7.2973 7.2973 8.1551 8.1551 9.0648 9.0648 12.7584 12.7584 14.9004 14.9004 15.8815 15.8815 16.8129 16.8129 k =-0.2865 0.7496 0.6389 ( 1655 PWs) bands (ev): -2.4506 -2.4506 -2.4368 -2.4368 1.0618 1.0618 2.7900 2.7900 3.2243 3.2243 3.6824 3.6824 5.5615 5.5615 7.2406 7.2406 8.1366 8.1366 9.0180 9.0180 12.8518 12.8518 14.7890 14.7890 15.8659 15.8659 16.7184 16.7184 k =-0.2865 0.7496 0.6549 ( 1656 PWs) bands (ev): -2.4197 -2.4197 -2.4071 -2.4071 1.1735 1.1735 2.7456 2.7456 3.1552 3.1552 3.5373 3.5373 5.6232 5.6232 7.1643 7.1643 8.1411 8.1411 8.9689 8.9689 12.9474 12.9474 14.6769 14.6769 15.8578 15.8578 16.6270 16.6270 k =-0.2865 0.7496 0.6708 ( 1658 PWs) bands (ev): -2.3915 -2.3915 -2.3801 -2.3801 1.2874 1.2874 2.6982 2.6982 3.0929 3.0929 3.4002 3.4002 5.6922 5.6922 7.0736 7.0736 8.1631 8.1631 8.9177 8.9177 13.0451 13.0451 14.5641 14.5641 15.8573 15.8573 16.5390 16.5390 k =-0.2865 0.7496 0.6868 ( 1662 PWs) bands (ev): -2.3663 -2.3663 -2.3563 -2.3563 1.4033 1.4033 2.6462 2.6462 3.0379 3.0379 3.2735 3.2735 5.7678 5.7678 6.9735 6.9735 8.1979 8.1979 8.8646 8.8646 13.1448 13.1448 14.4511 14.4511 15.8641 15.8641 16.4551 16.4551 k =-0.2865 0.7496 0.7028 ( 1660 PWs) bands (ev): -2.3443 -2.3443 -2.3358 -2.3358 1.5210 1.5210 2.5870 2.5870 2.9906 2.9906 3.1608 3.1608 5.8492 5.8492 6.8678 6.8678 8.2413 8.2413 8.8097 8.8097 13.2463 13.2463 14.3380 14.3380 15.8783 15.8783 16.3755 16.3755 k =-0.2865 0.7496 0.7187 ( 1658 PWs) bands (ev): -2.3259 -2.3259 -2.3189 -2.3189 1.6402 1.6402 2.5173 2.5173 2.9515 2.9515 3.0662 3.0662 5.9360 5.9360 6.7594 6.7594 8.2908 8.2908 8.7534 8.7534 13.3496 13.3496 14.2250 14.2250 15.8996 15.8996 16.3005 16.3005 k =-0.2865 0.7496 0.7347 ( 1662 PWs) bands (ev): -2.3111 -2.3111 -2.3057 -2.3057 1.7604 1.7604 2.4345 2.4345 2.9212 2.9212 2.9927 2.9927 6.0275 6.0275 6.6500 6.6500 8.3442 8.3442 8.6958 8.6958 13.4544 13.4544 14.1126 14.1126 15.9278 15.9278 16.2305 16.2305 k =-0.2865 0.7496 0.7507 ( 1662 PWs) bands (ev): -2.3002 -2.3002 -2.2963 -2.2963 1.8810 1.8810 2.3388 2.3388 2.9002 2.9002 2.9410 2.9410 6.1231 6.1231 6.5411 6.5411 8.4002 8.4002 8.6375 8.6375 13.5607 13.5607 14.0008 14.0008 15.9627 15.9627 16.1657 16.1657 k =-0.2865 0.7496 0.7667 ( 1656 PWs) bands (ev): -2.2934 -2.2934 -2.2909 -2.2909 2.0009 2.0009 2.2324 2.2324 2.8893 2.8893 2.9094 2.9094 6.2219 6.2219 6.4342 6.4342 8.4573 8.4573 8.5793 8.5793 13.6679 13.6679 13.8903 13.8903 16.0039 16.0039 16.1066 16.1066 k =-0.2865 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2911 -2.2911 -2.2891 -2.2891 2.1156 2.1156 2.1220 2.1220 2.8874 2.8874 2.8974 2.8974 6.3073 6.3073 6.3461 6.3461 8.5031 8.5031 8.5332 8.5332 13.7604 13.7604 13.7966 13.7966 16.0441 16.0441 16.0604 16.0604 k =-0.2865 0.7496 0.7826 ( 1660 PWs) bands (ev): -2.2911 -2.2911 -2.2891 -2.2891 2.1156 2.1156 2.1220 2.1220 2.8874 2.8874 2.8974 2.8974 6.3073 6.3073 6.3461 6.3461 8.5031 8.5031 8.5332 8.5332 13.7604 13.7604 13.7966 13.7966 16.0441 16.0441 16.0604 16.0604 k =-0.2923 0.7345 0.7826 ( 1660 PWs) bands (ev): -2.3021 -2.3021 -2.3002 -2.3002 2.0452 2.0452 2.0510 2.0510 2.9178 2.9178 2.9281 2.9281 6.4261 6.4261 6.4656 6.4656 8.5793 8.5793 8.6106 8.6106 13.6782 13.6782 13.7169 13.7169 15.9998 15.9998 16.0145 16.0145 k =-0.2981 0.7194 0.7826 ( 1664 PWs) bands (ev): -2.3159 -2.3159 -2.3141 -2.3141 1.9694 1.9694 1.9748 1.9748 2.9628 2.9628 2.9733 2.9733 6.5476 6.5476 6.5879 6.5879 8.6551 8.6551 8.6877 8.6877 13.5958 13.5958 13.6372 13.6372 15.9607 15.9607 15.9740 15.9740 k =-0.3038 0.7043 0.7826 ( 1668 PWs) bands (ev): -2.3322 -2.3322 -2.3305 -2.3305 1.8906 1.8906 1.8957 1.8957 3.0201 3.0201 3.0308 3.0308 6.6716 6.6716 6.7128 6.7128 8.7304 8.7304 8.7643 8.7643 13.5132 13.5132 13.5573 13.5573 15.9274 15.9274 15.9392 15.9392 k =-0.3096 0.6892 0.7826 ( 1668 PWs) bands (ev): -2.3508 -2.3508 -2.3491 -2.3491 1.8105 1.8105 1.8153 1.8153 3.0880 3.0880 3.0988 3.0988 6.7979 6.7979 6.8400 6.8400 8.8051 8.8051 8.8404 8.8404 13.4302 13.4302 13.4771 13.4771 15.9001 15.9001 15.9105 15.9105 k =-0.3154 0.6741 0.7826 ( 1668 PWs) bands (ev): -2.3715 -2.3715 -2.3698 -2.3698 1.7302 1.7302 1.7348 1.7348 3.1650 3.1650 3.1760 3.1760 6.9262 6.9262 6.9694 6.9694 8.8790 8.8790 8.9159 8.9159 13.3467 13.3467 13.3964 13.3964 15.8792 15.8792 15.8880 15.8880 k =-0.3211 0.6590 0.7826 ( 1668 PWs) bands (ev): -2.3939 -2.3939 -2.3924 -2.3924 1.6505 1.6505 1.6548 1.6548 3.2503 3.2503 3.2614 3.2614 7.0563 7.0563 7.1006 7.1006 8.9522 8.9522 8.9906 8.9906 13.2624 13.2624 13.3150 13.3150 15.8649 15.8649 15.8721 15.8721 k =-0.3269 0.6439 0.7826 ( 1668 PWs) bands (ev): -2.4180 -2.4180 -2.4165 -2.4165 1.5719 1.5719 1.5760 1.5760 3.3431 3.3431 3.3543 3.3543 7.1878 7.1878 7.2332 7.2332 9.0246 9.0246 9.0647 9.0647 13.1772 13.1772 13.2327 13.2327 15.8575 15.8575 15.8631 15.8631 k =-0.3327 0.6288 0.7826 ( 1668 PWs) bands (ev): -2.4434 -2.4434 -2.4420 -2.4420 1.4949 1.4949 1.4988 1.4988 3.4429 3.4429 3.4541 3.4541 7.3204 7.3204 7.3671 7.3671 9.0962 9.0962 9.1382 9.1382 13.0907 13.0907 13.1493 13.1493 15.8572 15.8572 15.8611 15.8611 k =-0.3385 0.6138 0.7826 ( 1672 PWs) bands (ev): -2.4699 -2.4699 -2.4685 -2.4685 1.4196 1.4196 1.4233 1.4233 3.5490 3.5490 3.5604 3.5604 7.4536 7.4536 7.5017 7.5017 9.1671 9.1671 9.2111 9.2111 13.0028 13.0028 13.0644 13.0644 15.8641 15.8641 15.8661 15.8661 k =-0.3442 0.5987 0.7826 ( 1672 PWs) bands (ev): -2.4972 -2.4972 -2.4959 -2.4959 1.3464 1.3464 1.3499 1.3499 3.6612 3.6612 3.6727 3.6727 7.5870 7.5870 7.6365 7.6365 9.2376 9.2376 9.2837 9.2837 12.9131 12.9131 12.9779 12.9779 15.8780 15.8780 15.8784 15.8784 k =-0.3500 0.5836 0.7826 ( 1672 PWs) bands (ev): -2.5252 -2.5252 -2.5240 -2.5240 1.2753 1.2753 1.2786 1.2786 3.7790 3.7790 3.7907 3.7907 7.7200 7.7200 7.7711 7.7711 9.3078 9.3078 9.3561 9.3561 12.8214 12.8214 12.8893 12.8893 15.8963 15.8963 15.8999 15.8999 k =-0.3558 0.5685 0.7826 ( 1668 PWs) bands (ev): -2.5536 -2.5536 -2.5525 -2.5525 1.2065 1.2065 1.2097 1.2097 3.9022 3.9022 3.9140 3.9140 7.8520 7.8520 7.9046 7.9046 9.3780 9.3780 9.4286 9.4286 12.7274 12.7274 12.7984 12.7984 15.9173 15.9173 15.9284 15.9284 k =-0.3615 0.5534 0.7826 ( 1668 PWs) bands (ev): -2.5823 -2.5823 -2.5812 -2.5812 1.1400 1.1400 1.1431 1.1431 4.0304 4.0304 4.0423 4.0423 7.9823 7.9823 8.0364 8.0364 9.4488 9.4488 9.5018 9.5018 12.6307 12.6307 12.7049 12.7049 15.8993 15.8993 15.9568 15.9568 k =-0.3673 0.5383 0.7826 ( 1680 PWs) bands (ev): -2.6110 -2.6110 -2.6100 -2.6100 1.0761 1.0761 1.0790 1.0790 4.1633 4.1633 4.1754 4.1754 8.1098 8.1098 8.1654 8.1654 9.5205 9.5205 9.5761 9.5761 12.5313 12.5313 12.6085 12.6085 15.7403 15.7403 15.8268 15.8268 k =-0.3731 0.5232 0.7826 ( 1674 PWs) bands (ev): -2.6395 -2.6395 -2.6386 -2.6386 1.0146 1.0146 1.0174 1.0174 4.3008 4.3008 4.3130 4.3130 8.2337 8.2337 8.2907 8.2907 9.5939 9.5939 9.6520 9.6520 12.4289 12.4289 12.5092 12.5092 15.5562 15.5562 15.6397 15.6397 k =-0.3788 0.5081 0.7826 ( 1672 PWs) bands (ev): -2.6678 -2.6678 -2.6669 -2.6669 0.9557 0.9557 0.9583 0.9583 4.4425 4.4425 4.4549 4.4549 8.3527 8.3527 8.4108 8.4108 9.6695 9.6695 9.7301 9.7301 12.3236 12.3236 12.4069 12.4069 15.3761 15.3761 15.4585 15.4585 k =-0.3846 0.4930 0.7826 ( 1668 PWs) bands (ev): -2.6956 -2.6956 -2.6948 -2.6948 0.8994 0.8994 0.9019 0.9019 4.5882 4.5882 4.6009 4.6009 8.4658 8.4658 8.5247 8.5247 9.7479 9.7479 9.8108 9.8108 12.2156 12.2156 12.3019 12.3019 15.2034 15.2034 15.2853 15.2853 k =-0.3904 0.4779 0.7826 ( 1668 PWs) bands (ev): -2.7229 -2.7229 -2.7221 -2.7221 0.8458 0.8458 0.8481 0.8481 4.7377 4.7377 4.7506 4.7506 8.5718 8.5718 8.6309 8.6309 9.8293 9.8293 9.8943 9.8943 12.1055 12.1055 12.1949 12.1949 15.0394 15.0394 15.1210 15.1210 k =-0.3961 0.4628 0.7826 ( 1664 PWs) bands (ev): -2.7494 -2.7494 -2.7486 -2.7486 0.7947 0.7947 0.7969 0.7969 4.8908 4.8908 4.9040 4.9040 8.6694 8.6694 8.7282 8.7282 9.9134 9.9134 9.9804 9.9804 11.9945 11.9945 12.0868 12.0868 14.8850 14.8850 14.9661 14.9661 k =-0.4019 0.4477 0.7826 ( 1672 PWs) bands (ev): -2.7750 -2.7750 -2.7744 -2.7744 0.7464 0.7464 0.7485 0.7485 5.0472 5.0472 5.0607 5.0607 8.7579 8.7579 8.8157 8.8157 9.9992 9.9992 10.0679 10.0679 11.8844 11.8844 11.9798 11.9798 14.7404 14.7404 14.8210 14.8210 k =-0.4077 0.4326 0.7826 ( 1666 PWs) bands (ev): -2.7997 -2.7997 -2.7991 -2.7991 0.7008 0.7008 0.7027 0.7027 5.2068 5.2068 5.2205 5.2205 8.8364 8.8364 8.8927 8.8927 10.0843 10.0843 10.1543 10.1543 11.7784 11.7784 11.8767 11.8767 14.6060 14.6060 14.6859 14.6859 k =-0.4135 0.4175 0.7826 ( 1666 PWs) bands (ev): -2.8234 -2.8234 -2.8228 -2.8228 0.6578 0.6578 0.6596 0.6596 5.3692 5.3692 5.3833 5.3833 8.9046 8.9046 8.9589 8.9589 10.1645 10.1645 10.2354 10.2354 11.6813 11.6813 11.7824 11.7824 14.4818 14.4818 14.5609 14.5609 k =-0.4192 0.4024 0.7826 ( 1666 PWs) bands (ev): -2.8459 -2.8459 -2.8454 -2.8454 0.6176 0.6176 0.6193 0.6193 5.5343 5.5343 5.5488 5.5488 8.9620 8.9620 9.0141 9.0141 10.2335 10.2335 10.3042 10.3042 11.6007 11.6007 11.7034 11.7034 14.3676 14.3676 14.4458 14.4458 k =-0.4250 0.3873 0.7826 ( 1666 PWs) bands (ev): -2.8672 -2.8672 -2.8668 -2.8668 0.5802 0.5802 0.5817 0.5817 5.7018 5.7018 5.7166 5.7166 9.0087 9.0087 9.0583 9.0583 10.2831 10.2831 10.3514 10.3514 11.5463 11.5463 11.6484 11.6484 14.2632 14.2632 14.3405 14.3405 k =-0.4308 0.3722 0.7826 ( 1662 PWs) bands (ev): -2.8872 -2.8872 -2.8868 -2.8868 0.5455 0.5455 0.5469 0.5469 5.8714 5.8714 5.8865 5.8865 9.0442 9.0442 9.0914 9.0914 10.3048 10.3048 10.3672 10.3672 11.5287 11.5287 11.6265 11.6265 14.1682 14.1682 14.2446 14.2446 k =-0.4365 0.3572 0.7826 ( 1654 PWs) bands (ev): -2.9058 -2.9058 -2.9055 -2.9055 0.5135 0.5135 0.5148 0.5148 6.0427 6.0427 6.0583 6.0583 9.0681 9.0681 9.1130 9.1130 10.2936 10.2936 10.3469 10.3469 11.5536 11.5536 11.6436 11.6436 14.0819 14.0819 14.1576 14.1576 k =-0.4423 0.3421 0.7826 ( 1650 PWs) bands (ev): -2.9230 -2.9230 -2.9227 -2.9227 0.4843 0.4843 0.4855 0.4855 6.2154 6.2154 6.2314 6.2314 9.0794 9.0794 9.1221 9.1221 10.2517 10.2517 10.2944 10.2944 11.6184 11.6184 11.6991 11.6991 14.0038 14.0038 14.0789 14.0789 k =-0.4481 0.3270 0.7826 ( 1646 PWs) bands (ev): -2.9387 -2.9387 -2.9384 -2.9384 0.4579 0.4579 0.4589 0.4589 6.3890 6.3890 6.4053 6.4053 9.0767 9.0767 9.1174 9.1174 10.1870 10.1870 10.2201 10.2201 11.7147 11.7147 11.7867 11.7867 13.9331 13.9331 14.0078 14.0078 k =-0.4538 0.3119 0.7826 ( 1646 PWs) bands (ev): -2.9529 -2.9529 -2.9527 -2.9527 0.4342 0.4342 0.4352 0.4352 6.5628 6.5628 6.5795 6.5795 9.0579 9.0579 9.0967 9.0967 10.1105 10.1105 10.1357 10.1357 11.8331 11.8331 11.8982 11.8982 13.8689 13.8689 13.9436 13.9436 k =-0.4596 0.2968 0.7826 ( 1642 PWs) bands (ev): -2.9655 -2.9655 -2.9653 -2.9653 0.4134 0.4134 0.4142 0.4142 6.7361 6.7361 6.7531 6.7531 9.0209 9.0209 9.0577 9.0577 10.0325 10.0325 10.0516 10.0516 11.9656 11.9656 12.0258 12.0258 13.8104 13.8104 13.8852 13.8852 k =-0.4654 0.2817 0.7826 ( 1642 PWs) bands (ev): -2.9765 -2.9765 -2.9763 -2.9763 0.3953 0.3953 0.3960 0.3960 6.9076 6.9076 6.9249 6.9249 8.9643 8.9643 8.9987 8.9987 9.9611 9.9611 9.9756 9.9756 12.1062 12.1062 12.1628 12.1628 13.7566 13.7566 13.8315 13.8315 k =-0.4712 0.2666 0.7826 ( 1640 PWs) bands (ev): -2.9859 -2.9859 -2.9857 -2.9857 0.3800 0.3800 0.3806 0.3806 7.0757 7.0757 7.0931 7.0931 8.8885 8.8885 8.9202 8.9202 9.9016 9.9016 9.9123 9.9123 12.2495 12.2495 12.3033 12.3033 13.7065 13.7065 13.7810 13.7810 k =-0.4769 0.2515 0.7826 ( 1640 PWs) bands (ev): -2.9936 -2.9936 -2.9934 -2.9934 0.3675 0.3675 0.3679 0.3679 7.2377 7.2377 7.2547 7.2547 8.7972 8.7972 8.8257 8.8257 9.8557 9.8557 9.8635 9.8635 12.3902 12.3902 12.4411 12.4411 13.6595 13.6595 13.7318 13.7318 k =-0.4827 0.2364 0.7826 ( 1636 PWs) bands (ev): -2.9996 -2.9996 -2.9995 -2.9995 0.3577 0.3577 0.3581 0.3581 7.3888 7.3888 7.4048 7.4048 8.6978 8.6978 8.7223 8.7223 9.8231 9.8231 9.8283 9.8283 12.5221 12.5221 12.5682 12.5682 13.6163 13.6163 13.6827 13.6827 k =-0.4885 0.2213 0.7826 ( 1636 PWs) bands (ev): -3.0038 -3.0038 -3.0038 -3.0038 0.3508 0.3508 0.3511 0.3511 7.5205 7.5205 7.5340 7.5340 8.6026 8.6026 8.6216 8.6216 9.8018 9.8018 9.8050 9.8050 12.6363 12.6363 12.6737 12.6737 13.5802 13.5802 13.6339 13.6339 k =-0.4942 0.2062 0.7826 ( 1636 PWs) bands (ev): -3.0064 -3.0064 -3.0064 -3.0064 0.3467 0.3467 0.3468 0.3468 7.6175 7.6175 7.6257 7.6257 8.5307 8.5307 8.5417 8.5417 9.7901 9.7901 9.7916 9.7916 12.7204 12.7204 12.7423 12.7423 13.5591 13.5591 13.5902 13.5902 k =-0.5000 0.1911 0.7826 ( 1632 PWs) bands (ev): -3.0073 -3.0073 -3.0073 -3.0073 0.3453 0.3453 0.3453 0.3453 7.6573 7.6573 7.6573 7.6573 8.5065 8.5065 8.5065 8.5065 9.7868 9.7868 9.7868 9.7868 12.7592 12.7592 12.7592 12.7592 13.5621 13.5621 13.5621 13.5621 k =-0.5000 0.1911 0.7826 ( 1632 PWs) bands (ev): -3.0073 -3.0073 -3.0073 -3.0073 0.3453 0.3453 0.3453 0.3453 7.6573 7.6573 7.6573 7.6573 8.5065 8.5065 8.5065 8.5065 9.7868 9.7868 9.7868 9.7868 12.7592 12.7592 12.7592 12.7592 13.5621 13.5621 13.5621 13.5621 k =-0.5000 0.1911 0.7667 ( 1636 PWs) bands (ev): -3.0464 -3.0464 -2.9742 -2.9742 0.2986 0.2986 0.4022 0.4022 7.5641 7.5641 7.7488 7.7488 8.4146 8.4146 8.5953 8.5953 9.7679 9.7679 9.8103 9.8103 12.6775 12.6775 12.8473 12.8473 13.4461 13.4461 13.6746 13.6746 k =-0.5000 0.1911 0.7507 ( 1636 PWs) bands (ev): -3.0910 -3.0910 -2.9477 -2.9477 0.2625 0.2625 0.4686 0.4686 7.4698 7.4698 7.8383 7.8383 8.3213 8.3213 8.6789 8.6789 9.7557 9.7557 9.8366 9.8366 12.6026 12.6026 12.9414 12.9414 13.3298 13.3298 13.7764 13.7764 k =-0.5000 0.1911 0.7347 ( 1634 PWs) bands (ev): -3.1404 -3.1404 -2.9283 -2.9283 0.2373 0.2373 0.5439 0.5439 7.3748 7.3748 7.9251 7.9251 8.2279 8.2279 8.7547 8.7547 9.7530 9.7530 9.8646 9.8646 12.5353 12.5353 13.0405 13.0405 13.2147 13.2147 13.8484 13.8484 k =-0.5000 0.1911 0.7187 ( 1638 PWs) bands (ev): -3.1940 -3.1940 -2.9162 -2.9162 0.2233 0.2233 0.6275 0.6275 7.2793 7.2793 8.0082 8.0082 8.1355 8.1355 8.8194 8.8194 9.7632 9.7632 9.8932 9.8932 12.4759 12.4759 13.0954 13.0954 13.1505 13.1505 13.8578 13.8578 k =-0.5000 0.1911 0.7028 ( 1642 PWs) bands (ev): -3.2511 -3.2511 -2.9117 -2.9117 0.2207 0.2207 0.7189 0.7189 7.1839 7.1839 8.0392 8.0392 8.0927 8.0927 8.8698 8.8698 9.7894 9.7894 9.9219 9.9219 12.4250 12.4250 12.9865 12.9865 13.2569 13.2569 13.8041 13.8041 k =-0.5000 0.1911 0.6868 ( 1646 PWs) bands (ev): -3.3111 -3.3111 -2.9145 -2.9145 0.2292 0.2292 0.8174 0.8174 7.0886 7.0886 7.9514 7.9514 8.1661 8.1661 8.9039 8.9039 9.8338 9.8338 9.9500 9.9500 12.3831 12.3831 12.8772 12.8772 13.3706 13.3706 13.7195 13.7195 k =-0.5000 0.1911 0.6708 ( 1650 PWs) bands (ev): -3.3735 -3.3735 -2.9246 -2.9246 0.2485 0.2485 0.9224 0.9224 6.9939 6.9939 7.8636 7.8636 8.2366 8.2366 8.9213 8.9213 9.8968 9.8968 9.9773 9.9773 12.3505 12.3505 12.7706 12.7706 13.4883 13.4883 13.6234 13.6234 k =-0.5000 0.1911 0.6549 ( 1646 PWs) bands (ev): -3.4377 -3.4377 -2.9416 -2.9416 0.2782 0.2782 1.0336 1.0336 6.8998 6.8998 7.7780 7.7780 8.3018 8.3018 8.9239 8.9239 9.9763 9.9763 10.0035 10.0035 12.3273 12.3273 12.6677 12.6677 13.5214 13.5214 13.6111 13.6111 k =-0.5000 0.1911 0.6389 ( 1648 PWs) bands (ev): -3.5034 -3.5034 -2.9649 -2.9649 0.3176 0.3176 1.1504 1.1504 6.8067 6.8067 7.6950 7.6950 8.3610 8.3610 8.9140 8.9140 10.0267 10.0267 10.0718 10.0718 12.3123 12.3123 12.5700 12.5700 13.4193 13.4193 13.7359 13.7359 k =-0.5000 0.1911 0.6229 ( 1644 PWs) bands (ev): -3.5700 -3.5700 -2.9939 -2.9939 0.3660 0.3660 1.2724 1.2724 6.7146 6.7146 7.6150 7.6150 8.4136 8.4136 8.8947 8.8947 10.0493 10.0493 10.1777 10.1777 12.3009 12.3009 12.4828 12.4828 13.3165 13.3165 13.8640 13.8640 k =-0.5000 0.1911 0.6069 ( 1644 PWs) bands (ev): -3.6373 -3.6373 -3.0280 -3.0280 0.4227 0.4227 1.3993 1.3993 6.6238 6.6238 7.5381 7.5381 8.4593 8.4593 8.8682 8.8682 10.0697 10.0697 10.2930 10.2930 12.2765 12.2765 12.4232 12.4232 13.2140 13.2140 13.9950 13.9950 k =-0.5000 0.1911 0.5910 ( 1642 PWs) bands (ev): -3.7048 -3.7048 -3.0665 -3.0665 0.4868 0.4868 1.5307 1.5307 6.5344 6.5344 7.4645 7.4645 8.4979 8.4979 8.8367 8.8367 10.0879 10.0879 10.4156 10.4156 12.2176 12.2176 12.4130 12.4130 13.1121 13.1121 14.1282 14.1282 k =-0.5000 0.1911 0.5750 ( 1642 PWs) bands (ev): -3.7724 -3.7724 -3.1087 -3.1087 0.5575 0.5575 1.6662 1.6662 6.4466 6.4466 7.3944 7.3944 8.5293 8.5293 8.8014 8.8014 10.1038 10.1038 10.5441 10.5441 12.1381 12.1381 12.4382 12.4382 13.0113 13.0113 14.2633 14.2633 k =-0.5000 0.1911 0.5590 ( 1642 PWs) bands (ev): -3.8397 -3.8397 -3.1540 -3.1540 0.6339 0.6339 1.8057 1.8057 6.3603 6.3603 7.3281 7.3281 8.5534 8.5534 8.7637 8.7637 10.1173 10.1173 10.6773 10.6773 12.0536 12.0536 12.4832 12.4832 12.9117 12.9117 14.3999 14.3999 k =-0.5000 0.1911 0.5431 ( 1640 PWs) bands (ev): -3.9065 -3.9065 -3.2018 -3.2018 0.7152 0.7152 1.9488 1.9488 6.2758 6.2758 7.2656 7.2656 8.5704 8.5704 8.7242 8.7242 10.1284 10.1284 10.8143 10.8143 11.9691 11.9691 12.5424 12.5424 12.8141 12.8141 14.5372 14.5372 k =-0.5000 0.1911 0.5271 ( 1640 PWs) bands (ev): -3.9726 -3.9726 -3.2515 -3.2515 0.8008 0.8008 2.0953 2.0953 6.1932 6.1932 7.2071 7.2071 8.5806 8.5806 8.6838 8.6838 10.1370 10.1370 10.9541 10.9541 11.8862 11.8862 12.6096 12.6096 12.7226 12.7226 14.6748 14.6748 k =-0.5000 0.1911 0.5111 ( 1642 PWs) bands (ev): -4.0378 -4.0378 -3.3026 -3.3026 0.8898 0.8898 2.2449 2.2449 6.1124 6.1124 7.1529 7.1529 8.5839 8.5839 8.6434 8.6434 10.1431 10.1431 11.0960 11.0960 11.8059 11.8059 12.6051 12.6051 12.7162 12.7162 14.8116 14.8116 k =-0.5000 0.1911 0.4951 ( 1642 PWs) bands (ev): -4.1020 -4.1020 -3.3546 -3.3546 0.9816 0.9816 2.3976 2.3976 6.0337 6.0337 7.1031 7.1031 8.5783 8.5783 8.6061 8.6061 10.1467 10.1467 11.2383 11.2383 11.7290 11.7290 12.5172 12.5172 12.8062 12.8062 14.9468 14.9468 k =-0.5000 0.1911 0.4792 ( 1642 PWs) bands (ev): -4.1650 -4.1650 -3.4072 -3.4072 1.0756 1.0756 2.5530 2.5530 5.9570 5.9570 7.0579 7.0579 8.5519 8.5519 8.5844 8.5844 10.1479 10.1479 11.3773 11.3773 11.6585 11.6585 12.4264 12.4264 12.9119 12.9119 15.0790 15.0790 k =-0.5000 0.1911 0.4632 ( 1642 PWs) bands (ev): -4.2268 -4.2268 -3.4600 -3.4600 1.1711 1.1711 2.7109 2.7109 5.8824 5.8824 7.0174 7.0174 8.5132 8.5132 8.5708 8.5708 10.1468 10.1468 11.4886 11.4886 11.6169 11.6169 12.3387 12.3387 13.0282 13.0282 15.2066 15.2066 k =-0.5000 0.1911 0.4472 ( 1638 PWs) bands (ev): -4.2871 -4.2871 -3.5127 -3.5127 1.2675 1.2675 2.8712 2.8712 5.8101 5.8101 6.9819 6.9819 8.4732 8.4732 8.5553 8.5553 10.1433 10.1433 11.4782 11.4782 11.6936 11.6936 12.2586 12.2586 13.1539 13.1539 15.3279 15.3279 k =-0.5000 0.1911 0.4312 ( 1638 PWs) bands (ev): -4.3459 -4.3459 -3.5650 -3.5650 1.3642 1.3642 3.0336 3.0336 5.7399 5.7399 6.9515 6.9515 8.4334 8.4334 8.5369 8.5369 10.1377 10.1377 11.4181 11.4181 11.8035 11.8035 12.1993 12.1993 13.2881 13.2881 15.4404 15.4404 k =-0.5000 0.1911 0.4153 ( 1646 PWs) bands (ev): -4.4031 -4.4031 -3.6166 -3.6166 1.4608 1.4608 3.1981 3.1981 5.6720 5.6720 6.9263 6.9263 8.3944 8.3944 8.5159 8.5159 10.1300 10.1300 11.3540 11.3540 11.8633 11.8633 12.1977 12.1977 13.4302 13.4302 15.5418 15.5418 k =-0.5000 0.1911 0.3993 ( 1646 PWs) bands (ev): -4.4586 -4.4586 -3.6674 -3.6674 1.5566 1.5566 3.3642 3.3642 5.6064 5.6064 6.9067 6.9067 8.3563 8.3563 8.4928 8.4928 10.1204 10.1204 11.2906 11.2906 11.8408 11.8408 12.2812 12.2812 13.5796 13.5796 15.6296 15.6296 k =-0.5000 0.1911 0.3833 ( 1644 PWs) bands (ev): -4.5123 -4.5123 -3.7171 -3.7171 1.6513 1.6513 3.5319 3.5319 5.5431 5.5431 6.8926 6.8926 8.3195 8.3195 8.4680 8.4680 10.1090 10.1090 11.2287 11.2287 11.7735 11.7735 12.4107 12.4107 13.7357 13.7357 15.7022 15.7022 k =-0.5000 0.1911 0.3674 ( 1644 PWs) bands (ev): -4.5642 -4.5642 -3.7657 -3.7657 1.7442 1.7442 3.7009 3.7009 5.4823 5.4823 6.8843 6.8843 8.2840 8.2840 8.4419 8.4419 10.0960 10.0960 11.1686 11.1686 11.6906 11.6906 12.5564 12.5564 13.8980 13.8980 15.7584 15.7584 k =-0.5000 0.1911 0.3514 ( 1652 PWs) bands (ev): -4.6143 -4.6143 -3.8129 -3.8129 1.8350 1.8350 3.8710 3.8710 5.4238 5.4238 6.8818 6.8818 8.2499 8.2499 8.4149 8.4149 10.0816 10.0816 11.1102 11.1102 11.6012 11.6012 12.7084 12.7084 14.0661 14.0661 15.7987 15.7987 k =-0.5000 0.1911 0.3354 ( 1656 PWs) bands (ev): -4.6624 -4.6624 -3.8586 -3.8586 1.9232 1.9232 4.0418 4.0418 5.3678 5.3678 6.8853 6.8853 8.2175 8.2175 8.3874 8.3874 10.0660 10.0660 11.0535 11.0535 11.5083 11.5083 12.8633 12.8633 14.2396 14.2396 15.8244 15.8244 k =-0.5000 0.1911 0.3194 ( 1656 PWs) bands (ev): -4.7085 -4.7085 -3.9026 -3.9026 2.0084 2.0084 4.2131 4.2131 5.3142 5.3142 6.8946 6.8946 8.1868 8.1868 8.3597 8.3597 10.0493 10.0493 10.9984 10.9984 11.4132 11.4132 13.0192 13.0192 14.4180 14.4180 15.8378 15.8378 k =-0.5000 0.1911 0.3035 ( 1652 PWs) bands (ev): -4.7526 -4.7526 -3.9450 -3.9450 2.0902 2.0902 4.3846 4.3846 5.2632 5.2632 6.9099 6.9099 8.1581 8.1581 8.3321 8.3321 10.0319 10.0319 10.9447 10.9447 11.3163 11.3163 13.1751 13.1751 14.6009 14.6009 15.8412 15.8412 k =-0.5000 0.1911 0.2875 ( 1644 PWs) bands (ev): -4.7947 -4.7947 -3.9857 -3.9857 2.1684 2.1684 4.5560 4.5560 5.2146 5.2146 6.9309 6.9309 8.1314 8.1314 8.3048 8.3048 10.0138 10.0138 10.8923 10.8923 11.2177 11.2177 13.3304 13.3304 14.7881 14.7881 15.8369 15.8369 k =-0.5000 0.1911 0.2715 ( 1644 PWs) bands (ev): -4.8346 -4.8346 -4.0244 -4.0244 2.2425 2.2425 4.7266 4.7266 5.1686 5.1686 6.9576 6.9576 8.1070 8.1070 8.2782 8.2782 9.9953 9.9953 10.8408 10.8408 11.1176 11.1176 13.4841 13.4841 14.9792 14.9792 15.8270 15.8270 k =-0.5000 0.1911 0.2556 ( 1636 PWs) bands (ev): -4.8724 -4.8724 -4.0613 -4.0613 2.3125 2.3125 4.8961 4.8961 5.1252 5.1252 6.9897 6.9897 8.0850 8.0850 8.2523 8.2523 9.9766 9.9766 10.7902 10.7902 11.0163 11.0163 13.6358 13.6358 15.1737 15.1737 15.8131 15.8131 k =-0.5000 0.1911 0.2396 ( 1638 PWs) bands (ev): -4.9080 -4.9080 -4.0961 -4.0961 2.3781 2.3781 5.0629 5.0629 5.0854 5.0854 7.0268 7.0268 8.0657 8.0657 8.2274 8.2274 9.9578 9.9578 10.7398 10.7398 10.9139 10.9139 13.7846 13.7846 15.3714 15.3714 15.7966 15.7966 k =-0.5000 0.1911 0.2236 ( 1638 PWs) bands (ev): -4.9414 -4.9414 -4.1289 -4.1289 2.4391 2.4391 5.0457 5.0457 5.2299 5.2299 7.0684 7.0684 8.0491 8.0491 8.2037 8.2037 9.9392 9.9392 10.6886 10.6886 10.8118 10.8118 13.9298 13.9298 15.5718 15.5718 15.7784 15.7784 k =-0.5000 0.1911 0.2076 ( 1640 PWs) bands (ev): -4.9727 -4.9727 -4.1596 -4.1596 2.4956 2.4956 5.0100 5.0100 5.3923 5.3923 7.1141 7.1141 8.0357 8.0357 8.1814 8.1814 9.9209 9.9209 10.6327 10.6327 10.7138 10.7138 14.0706 14.0706 15.7594 15.7594 15.7744 15.7744 k =-0.5000 0.1911 0.1917 ( 1640 PWs) bands (ev): -5.0016 -5.0016 -4.1882 -4.1882 2.5474 2.5474 4.9769 4.9769 5.5509 5.5509 7.1631 7.1631 8.0256 8.0256 8.1607 8.1607 9.9030 9.9030 10.5593 10.5593 10.6331 10.6331 14.2060 14.2060 15.7198 15.7198 15.7413 15.7413 k =-0.5000 0.1911 0.1757 ( 1644 PWs) bands (ev): -5.0284 -5.0284 -4.2146 -4.2146 2.5945 2.5945 4.9463 4.9463 5.7045 5.7045 7.2147 7.2147 8.0190 8.0190 8.1418 8.1418 9.8857 9.8857 10.4629 10.4629 10.5754 10.5754 14.3350 14.3350 15.5791 15.5791 15.7220 15.7220 k =-0.5000 0.1911 0.1597 ( 1652 PWs) bands (ev): -5.0529 -5.0529 -4.2389 -4.2389 2.6370 2.6370 4.9184 4.9184 5.8520 5.8520 7.2679 7.2679 8.0161 8.0161 8.1252 8.1252 9.8692 9.8692 10.3574 10.3574 10.5276 10.5276 14.4565 14.4565 15.4458 15.4458 15.7040 15.7040 k =-0.5000 0.1911 0.1437 ( 1648 PWs) bands (ev): -5.0750 -5.0750 -4.2609 -4.2609 2.6750 2.6750 4.8932 4.8932 5.9919 5.9919 7.3218 7.3218 8.0165 8.0165 8.1116 8.1116 9.8535 9.8535 10.2495 10.2495 10.4839 10.4839 14.5693 14.5693 15.3218 15.3218 15.6871 15.6871 k =-0.5000 0.1911 0.1278 ( 1648 PWs) bands (ev): -5.0949 -5.0949 -4.2806 -4.2806 2.7086 2.7086 4.8705 4.8705 6.1227 6.1227 7.3751 7.3751 8.0195 8.0195 8.1023 8.1023 9.8387 9.8387 10.1418 10.1418 10.4432 10.4432 14.6721 14.6721 15.2080 15.2080 15.6715 15.6715 k =-0.5000 0.1911 0.1118 ( 1652 PWs) bands (ev): -5.1125 -5.1125 -4.2981 -4.2981 2.7378 2.7378 4.8505 4.8505 6.2429 6.2429 7.4266 7.4266 8.0228 8.0228 8.0994 8.0994 9.8250 9.8250 10.0360 10.0360 10.4055 10.4055 14.7636 14.7636 15.1055 15.1055 15.6574 15.6574 k =-0.5000 0.1911 0.0958 ( 1648 PWs) bands (ev): -5.1277 -5.1277 -4.3132 -4.3132 2.7629 2.7629 4.8332 4.8332 6.3506 6.3506 7.4752 7.4752 8.0239 8.0239 8.1056 8.1056 9.8123 9.8123 9.9343 9.9343 10.3711 10.3711 14.8428 14.8428 15.0150 15.0150 15.6450 15.6450 k =-0.5000 0.1911 0.0799 ( 1652 PWs) bands (ev): -5.1406 -5.1406 -4.3261 -4.3261 2.7838 2.7838 4.8185 4.8185 6.4443 6.4443 7.5193 7.5193 8.0220 8.0220 8.1208 8.1208 9.7994 9.7994 9.8403 9.8403 10.3406 10.3406 14.9089 14.9089 14.9373 14.9373 15.6343 15.6343 k =-0.5000 0.1911 0.0639 ( 1650 PWs) bands (ev): -5.1512 -5.1512 -4.3366 -4.3366 2.8008 2.8008 4.8065 4.8065 6.5225 6.5225 7.5577 7.5577 8.0183 8.0183 8.1422 8.1422 9.7481 9.7481 9.7954 9.7954 10.3145 10.3145 14.8728 14.8728 14.9617 14.9617 15.6254 15.6254 k =-0.5000 0.1911 0.0479 ( 1654 PWs) bands (ev): -5.1594 -5.1594 -4.3448 -4.3448 2.8139 2.8139 4.7972 4.7972 6.5842 6.5842 7.5892 7.5892 8.0145 8.0145 8.1656 8.1656 9.6753 9.6753 9.7864 9.7864 10.2934 10.2934 14.8222 14.8222 15.0012 15.0012 15.6185 15.6185 k =-0.5000 0.1911 0.0319 ( 1646 PWs) bands (ev): -5.1653 -5.1653 -4.3507 -4.3507 2.8231 2.8231 4.7905 4.7905 6.6286 6.6286 7.6125 7.6125 8.0113 8.0113 8.1869 8.1869 9.6183 9.6183 9.7805 9.7805 10.2779 10.2779 14.7858 14.7858 15.0283 15.0283 15.6135 15.6135 k =-0.5000 0.1911 0.0160 ( 1640 PWs) bands (ev): -5.1688 -5.1688 -4.3542 -4.3542 2.8287 2.8287 4.7865 4.7865 6.6554 6.6554 7.6269 7.6269 8.0093 8.0093 8.2018 8.2018 9.5818 9.5818 9.7769 9.7769 10.2684 10.2684 14.7639 14.7639 15.0440 15.0440 15.6105 15.6105 k =-0.5000 0.1911 0.0000 ( 1644 PWs) bands (ev): -5.1700 -5.1700 -4.3554 -4.3554 2.8305 2.8305 4.7852 4.7852 6.6644 6.6644 7.6318 7.6318 8.0086 8.0086 8.2071 8.2071 9.5693 9.5693 9.7757 9.7757 10.2653 10.2653 14.7565 14.7565 15.0491 15.0491 15.6095 15.6095 k = 0.0000 0.0000 0.7826 ( 1644 PWs) bands (ev): -3.4219 -3.4219 -3.4219 -3.4219 2.2257 2.2257 2.2257 2.2257 5.3818 5.3818 5.3818 5.3818 8.0251 8.0251 8.0251 8.0251 10.5381 10.5381 10.5381 10.5381 11.3574 11.3574 11.3574 11.3574 11.5153 11.5153 11.5153 11.5153 k =-0.0152 0.0058 0.7826 ( 1644 PWs) bands (ev): -3.4211 -3.4211 -3.4211 -3.4211 2.2189 2.2189 2.2189 2.2189 5.3907 5.3907 5.3907 5.3907 8.0241 8.0241 8.0241 8.0241 10.5305 10.5305 10.5305 10.5305 11.3662 11.3662 11.3662 11.3662 11.5193 11.5193 11.5193 11.5193 k =-0.0303 0.0116 0.7826 ( 1644 PWs) bands (ev): -3.4188 -3.4188 -3.4188 -3.4188 2.1989 2.1989 2.1989 2.1989 5.4172 5.4172 5.4172 5.4172 8.0211 8.0211 8.0211 8.0211 10.5087 10.5087 10.5087 10.5087 11.3910 11.3910 11.3910 11.3910 11.5315 11.5315 11.5315 11.5315 k =-0.0455 0.0174 0.7826 ( 1644 PWs) bands (ev): -3.4150 -3.4150 -3.4150 -3.4150 2.1664 2.1664 2.1664 2.1664 5.4606 5.4606 5.4606 5.4606 8.0161 8.0161 8.0161 8.0161 10.4753 10.4753 10.4753 10.4753 11.4275 11.4275 11.4275 11.4275 11.5536 11.5536 11.5536 11.5536 k =-0.0606 0.0232 0.7826 ( 1636 PWs) bands (ev): -3.4097 -3.4097 -3.4097 -3.4097 2.1224 2.1224 2.1224 2.1224 5.5198 5.5198 5.5198 5.5198 8.0093 8.0093 8.0093 8.0093 10.4335 10.4335 10.4335 10.4335 11.4698 11.4698 11.4698 11.4698 11.5883 11.5883 11.5883 11.5883 k =-0.0758 0.0290 0.7826 ( 1634 PWs) bands (ev): -3.4029 -3.4029 -3.4029 -3.4029 2.0684 2.0684 2.0684 2.0684 5.5933 5.5933 5.5933 5.5933 8.0006 8.0006 8.0006 8.0006 10.3861 10.3861 10.3861 10.3861 11.5120 11.5120 11.5120 11.5120 11.6383 11.6383 11.6383 11.6383 k =-0.0909 0.0347 0.7826 ( 1646 PWs) bands (ev): -3.3947 -3.3947 -3.3947 -3.3947 2.0057 2.0057 2.0057 2.0057 5.6796 5.6796 5.6796 5.6796 7.9904 7.9904 7.9904 7.9904 10.3353 10.3353 10.3353 10.3353 11.5524 11.5524 11.5524 11.5524 11.7031 11.7031 11.7031 11.7031 k =-0.1061 0.0405 0.7826 ( 1646 PWs) bands (ev): -3.3851 -3.3851 -3.3851 -3.3851 1.9359 1.9359 1.9359 1.9359 5.7773 5.7773 5.7773 5.7773 7.9786 7.9786 7.9786 7.9786 10.2828 10.2828 10.2828 10.2828 11.5924 11.5924 11.5924 11.5924 11.7792 11.7792 11.7792 11.7792 k =-0.1212 0.0463 0.7826 ( 1642 PWs) bands (ev): -3.3741 -3.3741 -3.3741 -3.3741 1.8603 1.8603 1.8603 1.8603 5.8847 5.8847 5.8847 5.8847 7.9655 7.9655 7.9655 7.9655 10.2297 10.2297 10.2297 10.2297 11.6338 11.6338 11.6338 11.6338 11.8632 11.8632 11.8632 11.8632 k =-0.1364 0.0521 0.7826 ( 1642 PWs) bands (ev): -3.3619 -3.3619 -3.3619 -3.3619 1.7802 1.7802 1.7802 1.7802 6.0006 6.0006 6.0006 6.0006 7.9512 7.9512 7.9512 7.9512 10.1771 10.1771 10.1771 10.1771 11.6775 11.6775 11.6775 11.6775 11.9529 11.9529 11.9529 11.9529 k =-0.1515 0.0579 0.7826 ( 1646 PWs) bands (ev): -3.3484 -3.3484 -3.3484 -3.3484 1.6969 1.6969 1.6969 1.6969 6.1237 6.1237 6.1237 6.1237 7.9360 7.9360 7.9360 7.9360 10.1255 10.1255 10.1255 10.1255 11.7241 11.7241 11.7241 11.7241 12.0468 12.0468 12.0468 12.0468 k =-0.1667 0.0637 0.7826 ( 1642 PWs) bands (ev): -3.3337 -3.3337 -3.3337 -3.3337 1.6113 1.6113 1.6113 1.6113 6.2526 6.2526 6.2526 6.2526 7.9199 7.9199 7.9199 7.9199 10.0755 10.0755 10.0755 10.0755 11.7733 11.7733 11.7733 11.7733 12.1441 12.1441 12.1441 12.1441 k =-0.1818 0.0695 0.7826 ( 1644 PWs) bands (ev): -3.3180 -3.3180 -3.3180 -3.3180 1.5245 1.5245 1.5245 1.5245 6.3864 6.3864 6.3864 6.3864 7.9033 7.9033 7.9033 7.9033 10.0274 10.0274 10.0274 10.0274 11.8252 11.8252 11.8252 11.8252 12.2438 12.2438 12.2438 12.2438 k =-0.1970 0.0753 0.7826 ( 1648 PWs) bands (ev): -3.3013 -3.3013 -3.3013 -3.3013 1.4371 1.4371 1.4371 1.4371 6.5240 6.5240 6.5240 6.5240 7.8862 7.8862 7.8862 7.8862 9.9816 9.9816 9.9816 9.9816 11.8794 11.8794 11.8794 11.8794 12.3455 12.3455 12.3455 12.3455 k =-0.2121 0.0811 0.7826 ( 1648 PWs) bands (ev): -3.2838 -3.2838 -3.2838 -3.2838 1.3499 1.3499 1.3499 1.3499 6.6645 6.6645 6.6645 6.6645 7.8688 7.8688 7.8688 7.8688 9.9384 9.9384 9.9384 9.9384 11.9357 11.9357 11.9357 11.9357 12.4485 12.4485 12.4485 12.4485 k =-0.2273 0.0869 0.7826 ( 1648 PWs) bands (ev): -3.2655 -3.2655 -3.2655 -3.2655 1.2636 1.2636 1.2636 1.2636 6.8069 6.8069 6.8069 6.8069 7.8514 7.8514 7.8514 7.8514 9.8980 9.8980 9.8980 9.8980 11.9935 11.9935 11.9935 11.9935 12.5523 12.5523 12.5523 12.5523 k =-0.2424 0.0927 0.7826 ( 1644 PWs) bands (ev): -3.2466 -3.2466 -3.2466 -3.2466 1.1787 1.1787 1.1787 1.1787 6.9502 6.9502 6.9502 6.9502 7.8341 7.8341 7.8341 7.8341 9.8607 9.8607 9.8607 9.8607 12.0527 12.0527 12.0527 12.0527 12.6563 12.6563 12.6563 12.6563 k =-0.2576 0.0985 0.7826 ( 1644 PWs) bands (ev): -3.2273 -3.2273 -3.2273 -3.2273 1.0957 1.0957 1.0957 1.0957 7.0936 7.0936 7.0936 7.0936 7.8171 7.8171 7.8171 7.8171 9.8268 9.8268 9.8268 9.8268 12.1126 12.1126 12.1126 12.1126 12.7599 12.7599 12.7599 12.7599 k =-0.2727 0.1042 0.7826 ( 1646 PWs) bands (ev): -3.2076 -3.2076 -3.2076 -3.2076 1.0151 1.0151 1.0151 1.0151 7.2359 7.2359 7.2359 7.2359 7.8005 7.8005 7.8005 7.8005 9.7964 9.7964 9.7964 9.7964 12.1728 12.1728 12.1728 12.1728 12.8624 12.8624 12.8624 12.8624 k =-0.2879 0.1100 0.7826 ( 1648 PWs) bands (ev): -3.1878 -3.1878 -3.1878 -3.1878 0.9374 0.9374 0.9374 0.9374 7.3760 7.3760 7.3760 7.3760 7.7846 7.7846 7.7846 7.7846 9.7700 9.7700 9.7700 9.7700 12.2329 12.2329 12.2329 12.2329 12.9630 12.9630 12.9630 12.9630 k =-0.3030 0.1158 0.7826 ( 1648 PWs) bands (ev): -3.1680 -3.1680 -3.1680 -3.1680 0.8630 0.8630 0.8630 0.8630 7.5126 7.5126 7.5126 7.5126 7.7700 7.7700 7.7700 7.7700 9.7476 9.7476 9.7476 9.7476 12.2923 12.2923 12.2923 12.2923 13.0607 13.0607 13.0607 13.0607 k =-0.3182 0.1216 0.7826 ( 1652 PWs) bands (ev): -3.1485 -3.1485 -3.1485 -3.1485 0.7922 0.7922 0.7922 0.7922 7.6422 7.6422 7.6422 7.6422 7.7587 7.7587 7.7587 7.7587 9.7297 9.7297 9.7297 9.7297 12.3506 12.3506 12.3506 12.3506 13.1545 13.1545 13.1545 13.1545 k =-0.3333 0.1274 0.7826 ( 1656 PWs) bands (ev): -3.1294 -3.1294 -3.1294 -3.1294 0.7254 0.7254 0.7254 0.7254 7.7243 7.7243 7.7243 7.7243 7.7902 7.7902 7.7902 7.7902 9.7165 9.7165 9.7165 9.7165 12.4071 12.4071 12.4071 12.4071 13.2431 13.2431 13.2431 13.2431 k =-0.3485 0.1332 0.7826 ( 1658 PWs) bands (ev): -3.1109 -3.1109 -3.1109 -3.1109 0.6630 0.6630 0.6630 0.6630 7.7208 7.7208 7.7208 7.7208 7.9014 7.9014 7.9014 7.9014 9.7082 9.7082 9.7082 9.7082 12.4613 12.4613 12.4613 12.4613 13.3248 13.3248 13.3248 13.3248 k =-0.3636 0.1390 0.7826 ( 1658 PWs) bands (ev): -3.0933 -3.0933 -3.0933 -3.0933 0.6054 0.6054 0.6054 0.6054 7.7102 7.7102 7.7102 7.7102 8.0124 8.0124 8.0124 8.0124 9.7049 9.7049 9.7049 9.7049 12.5126 12.5126 12.5126 12.5126 13.3978 13.3978 13.3978 13.3978 k =-0.3788 0.1448 0.7826 ( 1658 PWs) bands (ev): -3.0768 -3.0768 -3.0768 -3.0768 0.5528 0.5528 0.5528 0.5528 7.6998 7.6998 7.6998 7.6998 8.1149 8.1149 8.1149 8.1149 9.7066 9.7066 9.7066 9.7066 12.5605 12.5605 12.5605 12.5605 13.4601 13.4601 13.4601 13.4601 k =-0.3939 0.1506 0.7826 ( 1658 PWs) bands (ev): -3.0616 -3.0616 -3.0616 -3.0616 0.5055 0.5055 0.5055 0.5055 7.6902 7.6902 7.6902 7.6902 8.2068 8.2068 8.2068 8.2068 9.7130 9.7130 9.7130 9.7130 12.6044 12.6044 12.6044 12.6044 13.5097 13.5097 13.5097 13.5097 k =-0.4091 0.1564 0.7826 ( 1658 PWs) bands (ev): -3.0479 -3.0479 -3.0479 -3.0479 0.4639 0.4639 0.4639 0.4639 7.6816 7.6816 7.6816 7.6816 8.2871 8.2871 8.2871 8.2871 9.7233 9.7233 9.7233 9.7233 12.6437 12.6437 12.6437 12.6437 13.5452 13.5452 13.5452 13.5452 k =-0.4242 0.1622 0.7826 ( 1642 PWs) bands (ev): -3.0359 -3.0359 -3.0359 -3.0359 0.4282 0.4282 0.4282 0.4282 7.6743 7.6743 7.6743 7.6743 8.3550 8.3550 8.3550 8.3550 9.7364 9.7364 9.7364 9.7364 12.6779 12.6779 12.6779 12.6779 13.5663 13.5663 13.5663 13.5663 k =-0.4394 0.1680 0.7826 ( 1634 PWs) bands (ev): -3.0258 -3.0258 -3.0258 -3.0258 0.3987 0.3987 0.3987 0.3987 7.6682 7.6682 7.6682 7.6682 8.4102 8.4102 8.4102 8.4102 9.7508 9.7508 9.7508 9.7508 12.7066 12.7066 12.7066 12.7066 13.5748 13.5748 13.5748 13.5748 k =-0.4545 0.1737 0.7826 ( 1642 PWs) bands (ev): -3.0178 -3.0178 -3.0178 -3.0178 0.3755 0.3755 0.3755 0.3755 7.6634 7.6634 7.6634 7.6634 8.4527 8.4527 8.4527 8.4527 9.7648 9.7648 9.7648 9.7648 12.7294 12.7294 12.7294 12.7294 13.5741 13.5741 13.5741 13.5741 k =-0.4697 0.1795 0.7826 ( 1642 PWs) bands (ev): -3.0120 -3.0120 -3.0120 -3.0120 0.3588 0.3588 0.3588 0.3588 7.6600 7.6600 7.6600 7.6600 8.4827 8.4827 8.4827 8.4827 9.7764 9.7764 9.7764 9.7764 12.7459 12.7459 12.7459 12.7459 13.5691 13.5691 13.5691 13.5691 k =-0.4848 0.1853 0.7826 ( 1640 PWs) bands (ev): -3.0085 -3.0085 -3.0085 -3.0085 0.3487 0.3487 0.3487 0.3487 7.6579 7.6579 7.6579 7.6579 8.5005 8.5005 8.5005 8.5005 9.7841 9.7841 9.7841 9.7841 12.7558 12.7558 12.7558 12.7558 13.5641 13.5641 13.5641 13.5641 k =-0.5000 0.1911 0.7826 ( 1632 PWs) bands (ev): -3.0073 -3.0073 -3.0073 -3.0073 0.3453 0.3453 0.3453 0.3453 7.6573 7.6573 7.6573 7.6573 8.5065 8.5065 8.5065 8.5065 9.7868 9.7868 9.7868 9.7868 12.7592 12.7592 12.7592 12.7592 13.5621 13.5621 13.5621 13.5621 Writing output data file GeS.save init_run : 2.52s CPU 12.59s WALL ( 1 calls) electrons : 218.52s CPU 223.63s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.23s CPU 1.21s WALL ( 1 calls) Called by electrons: c_bands : 218.50s CPU 223.40s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.71s WALL ( 1 calls) v_h : 0.01s CPU 0.02s WALL ( 1 calls) v_xc : 0.02s CPU 0.38s WALL ( 1 calls) newd : 0.29s CPU 0.40s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 484 calls) cegterg : 185.14s CPU 186.47s WALL ( 700 calls) Called by sum_band: Called by *egterg: h_psi : 104.37s CPU 109.75s WALL ( 10967 calls) s_psi : 9.36s CPU 10.21s WALL ( 10967 calls) g_psi : 0.10s CPU 0.20s WALL ( 9783 calls) cdiaghg : 51.33s CPU 49.86s WALL ( 10267 calls) cegterg:over : 15.19s CPU 12.44s WALL ( 9783 calls) cegterg:upda : 0.69s CPU 2.19s WALL ( 9783 calls) cegterg:last : 0.92s CPU 1.72s WALL ( 2302 calls) Called by h_psi: h_psi:vloc : 85.16s CPU 90.44s WALL ( 10967 calls) h_psi:vnl : 19.16s CPU 19.15s WALL ( 10967 calls) add_vuspsi : 3.82s CPU 7.30s WALL ( 10967 calls) General routines calbec : 15.31s CPU 11.75s WALL ( 10967 calls) fft : 0.30s CPU 1.25s WALL ( 19 calls) ffts : 0.02s CPU 0.04s WALL ( 4 calls) fftw : 81.64s CPU 85.93s WALL ( 793336 calls) interpolate : 0.04s CPU 0.07s WALL ( 4 calls) davcio : 0.03s CPU 1.53s WALL ( 968 calls) Parallel routines fft_scatter : 52.29s CPU 55.92s WALL ( 793359 calls) PWSCF : 4m19.20s CPU 6m25.91s WALL This run was terminated on: 5: 7:54 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=